Datasets
Authors Title Journal Year PMID/DOI Actions
10.1007/s00044-012-0180-1 10.1007/s00044-012-0180-1 10.1007/s00044-...
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Raj N. Misra, Yolanda F. Kelly, Bärbel R. Brown, Daniel...
Raj N. Misra, Yolanda F. Kelly, Bärbel R. Brown, Daniel G.M. Roberts, Saeho Chong, Steven M. Seiler
Argatroban analogs: Synthesis, thrombin inhibitory activity and cell permeability of aminoheterocyclic guanidine... 10.1016/S0960-894X(00)80064-5 Bioorganic & Medicinal Chemistry Letters 1994 10.1016/S0960-8...
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T.K. Sawyer, J.F. Fisher, J.B. Hester, C.W. Smith, A.G....
T.K. Sawyer, J.F. Fisher, J.B. Hester, C.W. Smith, A.G. Tomasselli, W.G. Tarpley, P.S. Burton, J.O. Hui, T.J. McQuade, R.A. Conradi, V.S. Bradford, L. Liu, J.H. Kinner, J. Tustin, D.L. Alexander, A.W. Harrison, D.E. Emmert, D.J. Staples, L.L. Maggiora, Y.Z. Zhang, R.A. Poorman, B.M. Dunna, C. Rao, P.E. Scarborough, W.T. Lowther, C. Craik, D. DeCamp, J. Moon, W.J. Howe, R.L. Heinrikson
Peptidomimetic inhibitors of human immunodeficiency virus protease (HIV-PR): Design, enzyme binding and selectivity,... 10.1016/S0960-894X(00)80673-3 Bioorganic & Medicinal Chemistry Letters 1993 10.1016/S0960-8...
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Mark G. Saulnier, David B. Frennesson, Milind S. Deshpande,...
Mark G. Saulnier, David B. Frennesson, Milind S. Deshpande, Steven B. Hansel, Dolatrai M. Vyas
An efficient method for the synthesis of guanidino prodrugs 10.1016/S0960-894X(01)80549-7 Bioorganic & Medicinal Chemistry Letters 1994 10.1016/S0960-8...
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10.1039/C1MD00093D 10.1039/C1MD00093D
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10.1039/C2MD00271J 10.1039/C2MD00271J
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10.1039/C2MD20190A 10.1039/C2MD20190A
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10.1039/C3MD20368A 10.1039/C3MD20368A
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10.1039/C5MD00043B 10.1039/C5MD00043B
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A M Subbaiah M, Mandlekar S, Desikan S, Ramar T, Subramani...
A M Subbaiah M, Mandlekar S, Desikan S, Ramar T, Subramani L, Annadurai M, Desai SD, Sinha S, Jenkins SM, Krystal MR, Subramanian M, Sridhar S, Padmanabhan S, Bhutani P, Arla R, Singh S, Sinha J, Thakur M, Kadow JF, Meanwell NA.
Design, Synthesis, and Pharmacokinetic Evaluation of Phosphate and Amino Acid Ester Prodrugs for Improving the Oral... A M Subbaiah M, Mandlekar S, Desikan S, Ramar T, Subramani L, Annadurai M, Desai SD, Sinha S, Jenkins SM, Krystal MR, Subramanian M, Sridhar S, Padmanabhan S, Bhutani P, Arla R, Singh S, Sinha J, Thakur M, Kadow JF, Meanwell NA.: Design, Synthesis, and Pharmacokinetic Evaluation of Phosphate and Amino Acid Ester Prodrugs for Improving the Oral Bioavailability of the HIV-1 Protease Inhibitor Atazanavir. J Med Chem, Volume 62 (7), 2019 J Med Chem 2019 30938524
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Abás S, Rodríguez-Arévalo S, Bagán A, Griñán-Ferré...
Abás S, Rodríguez-Arévalo S, Bagán A, Griñán-Ferré C, Vasilopoulou F, Brocos-Mosquera I, Muguruza C, Pérez B, Molins E, Luque FJ, Pérez-Lozano P, de Jonghe S, Daelemans D, Naesens L, Brea J, Loza MI, Hernández-Hernández E, García-Sevilla JA, García-Fuster MJ, Radan M, Djikic T, Nikolic K, Pallàs M, Callado LF, Escolano C.
Bicyclic α-Iminophosphonates as High Affinity Imidazoline I2 Receptor Ligands for Alzheimer's Disease. Abás S, Rodríguez-Arévalo S, Bagán A, Griñán-Ferré C, Vasilopoulou F, Brocos-Mosquera I, Muguruza C, Pérez B, Molins E, Luque FJ, Pérez-Lozano P, de Jonghe S, Daelemans D, Naesens L, Brea J, Loza MI, Hernández-Hernández E, García-Sevilla JA, García-Fuster MJ, Radan M, Djikic T, Nikolic K, Pallàs M, Callado LF, Escolano C.: Bicyclic α-Iminophosphonates as High Affinity Imidazoline I2 Receptor Ligands for Alzheimer's Disease. J Med Chem, Volume 63 (7), 2020 J Med Chem 2020 32150414
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Abdel-Maksoud MS, El-Gamal MI, Lee BS, Gamal El-Din MM,...
Abdel-Maksoud MS, El-Gamal MI, Lee BS, Gamal El-Din MM, Jeon HR, Kwon D, Ammar UM, Mersal KI, Ali EMH, Lee KT, Yoo KH, Han DK, Lee JK, Kim G, Choi HS, Kwon YJ, Lee KH, Oh CH.
Discovery of New Imidazo[2,1-b]thiazole Derivatives as Potent Pan-RAF Inhibitors with Promising In Vitro... Abdel-Maksoud MS, El-Gamal MI, Lee BS, Gamal El-Din MM, Jeon HR, Kwon D, Ammar UM, Mersal KI, Ali EMH, Lee KT, Yoo KH, Han DK, Lee JK, Kim G, Choi HS, Kwon YJ, Lee KH, Oh CH.: Discovery of New Imidazo[2,1-b]thiazole Derivatives as Potent Pan-RAF Inhibitors with Promising In Vitro and In Vivo Anti-melanoma Activity. J Med Chem, Volume 64 (10), 2021 J Med Chem 2021 33999621
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Abdul-Hay S, Schiefer IT, Chandrasena RE, Li M, Abdelhamid...
Abdul-Hay S, Schiefer IT, Chandrasena RE, Li M, Abdelhamid R, Wang YT, Tavassoli E, Michalsen B, Asghodom RT, Luo J, Thatcher GR.
NO-SSRIs: Nitric Oxide Chimera Drugs Incorporating a Selective Serotonin Reuptake Inhibitor. Abdul-Hay S, Schiefer IT, Chandrasena RE, Li M, Abdelhamid R, Wang YT, Tavassoli E, Michalsen B, Asghodom RT, Luo J, Thatcher GR.: NO-SSRIs: Nitric Oxide Chimera Drugs Incorporating a Selective Serotonin Reuptake Inhibitor. ACS Med Chem Lett, Volume 2 (9), 2011 ACS Med Chem Lett 2011 21927645
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Abe T, Kakyo M, Tokui T, Nakagomi R, Nishio T, Nakai D,...
Abe T, Kakyo M, Tokui T, Nakagomi R, Nishio T, Nakai D, Nomura H, Unno M, Suzuki M, Naitoh T, Matsuno S, Yawo H.
Identification of a novel gene family encoding human liver-specific organic anion transporter LST-1. Abe T, Kakyo M, Tokui T, Nakagomi R, Nishio T, Nakai D, Nomura H, Unno M, Suzuki M, Naitoh T, Matsuno S, Yawo H.: Identification of a novel gene family encoding human liver-specific organic anion transporter LST-1. J Biol Chem, Volume 274 (24), 1999 J Biol Chem 1999 10358072
Total substances: 3
Total passive interactions: 0
Total active interactions: 4
Abe T, Unno M, Onogawa T, Tokui T, Kondo TN, Nakagomi R,...
Abe T, Unno M, Onogawa T, Tokui T, Kondo TN, Nakagomi R, Adachi H, Fujiwara K, Okabe M, Suzuki T, Nunoki K, Sato E, Kakyo M, Nishio T, Sugita J, Asano N, Tanemoto M, Seki M, Date F, Ono K, Kondo Y, Shiiba K, Suzuki M, Ohtani H, Shimosegawa T, Iinuma K, Nagura H, Ito S, Matsuno S.
LST-2, a human liver-specific organic anion transporter, determines methotrexate sensitivity in gastrointestinal... Abe T, Unno M, Onogawa T, Tokui T, Kondo TN, Nakagomi R, Adachi H, Fujiwara K, Okabe M, Suzuki T, Nunoki K, Sato E, Kakyo M, Nishio T, Sugita J, Asano N, Tanemoto M, Seki M, Date F, Ono K, Kondo Y, Shiiba K, Suzuki M, Ohtani H, Shimosegawa T, Iinuma K, Nagura H, Ito S, Matsuno S.: LST-2, a human liver-specific organic anion transporter, determines methotrexate sensitivity in gastrointestinal cancers. Gastroenterology, Volume 120 (7), 2001 Gastroenterology 2001 11375950
Total substances: 3
Total passive interactions: 0
Total active interactions: 5
Abla N, Bashyam S, Charman SA, Greco B, Hewitt P,...
Abla N, Bashyam S, Charman SA, Greco B, Hewitt P, Jiménez-Díaz MB, Katneni K, Kubas H, Picard D, Sambandan Y, Sanz L, Smith D, Wang T, Willis P, Wittlin S, Spangenberg T.
Long-Lasting and Fast-Acting in Vivo Efficacious Antiplasmodial Azepanylcarbazole Amino Alcohol. Abla N, Bashyam S, Charman SA, Greco B, Hewitt P, Jiménez-Díaz MB, Katneni K, Kubas H, Picard D, Sambandan Y, Sanz L, Smith D, Wang T, Willis P, Wittlin S, Spangenberg T.: Long-Lasting and Fast-Acting in Vivo Efficacious Antiplasmodial Azepanylcarbazole Amino Alcohol. ACS Med Chem Lett, Volume 8 (12), 2017 ACS Med Chem Lett 2017 29259752
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Ablordeppey SY, Altundas R, Bricker B, Zhu XY, Kumar EV,...
Ablordeppey SY, Altundas R, Bricker B, Zhu XY, Kumar EV, Jackson T, Khan A, Roth BL.
Identification of a butyrophenone analog as a potential atypical antipsychotic agent:... Ablordeppey SY, Altundas R, Bricker B, Zhu XY, Kumar EV, Jackson T, Khan A, Roth BL.: Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one. Bioorg Med Chem, Volume 16 (15), 2008 Bioorg Med Chem 2008 18595716
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
K. Abrahamsson, P. Andersson, J. Bergman, U. Bredberg, ...
K. Abrahamsson, P. Andersson, J. Bergman, U. Bredberg, J. Brånalt, A.-C. Egnell, U. Eriksson, D. Gustafsson, K.-J. Hoffman, S. Nielsen, I. Nilsson, S. Pehrsson, M. O. Polla, T. Skjaeret, M. Strimfors, C. Wern, M. Ölwegård-Halvarsson, Y. Örtengren
Discovery of AZD8165 – a clinical candidate from a novel series of neutral thrombin inhibitors Abrahamsson, K.; P. Andersson, J. Bergman, U. Bredberg, J. Brånalt, A.-C. Egnell, U. Eriksson, D. Gustafsson, K.-J. Hoffman, S. Nielsen, I. Nilsson, S. Pehrsson, M. O. Polla, T. Skjaeret, M. Strimfors, C. Wern, M. Ölwegård-Halvarsson, Y. Örtengren: Discovery of AZD8165 – a clinical candidate from a novel series of neutral thrombin inhibitors. Med. Chem. Commun., 2016,7, 272-281, 10.1039/C5MD00479A MedChemComm 2016 10.1039/C5MD004...
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Abram M, Jakubiec M, Reeb K, Cheng MH, Gedschold R, Rapacz...
Abram M, Jakubiec M, Reeb K, Cheng MH, Gedschold R, Rapacz A, Mogilski S, Socała K, Nieoczym D, Szafarz M, Latacz G, Szulczyk B, Kalinowska-Tłuścik J, Gawel K, Esguerra CV, Wyska E, Müller CE, Bahar I, Fontana ACK, Wlaź P, Kamiński RM, Kamiński K.
Discovery of (R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide [(R)-AS-1], a Novel... Abram M, Jakubiec M, Reeb K, Cheng MH, Gedschold R, Rapacz A, Mogilski S, Socała K, Nieoczym D, Szafarz M, Latacz G, Szulczyk B, Kalinowska-Tłuścik J, Gawel K, Esguerra CV, Wyska E, Müller CE, Bahar I, Fontana ACK, Wlaź P, Kamiński RM, Kamiński K.: Discovery of (R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide [(R)-AS-1], a Novel Orally Bioavailable EAAT2 Modulator with Drug-like Properties and Potent Antiseizure Activity In Vivo. J Med Chem, Volume 65 (17), 2022 J Med Chem 2022 35984707
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Achermann G, Ballard TM, Blasco F, Broutin PE, Büttelmann...
Achermann G, Ballard TM, Blasco F, Broutin PE, Büttelmann B, Fischer H, Graf M, Hernandez MC, Hilty P, Knoflach F, Koblet A, Knust H, Kurt A, Martin JR, Masciadri R, Porter RH, Stadler H, Thomas AW, Trube G, Wichmann J.
Discovery of the imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepine scaffold as a novel, potent and selective... Achermann G, Ballard TM, Blasco F, Broutin PE, Büttelmann B, Fischer H, Graf M, Hernandez MC, Hilty P, Knoflach F, Koblet A, Knust H, Kurt A, Martin JR, Masciadri R, Porter RH, Stadler H, Thomas AW, Trube G, Wichmann J.: Discovery of the imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepine scaffold as a novel, potent and selective GABA(A) alpha5 inverse agonist series. Bioorg Med Chem Lett, Volume 19 (19), 2009 Bioorg Med Chem Lett 2009 19726184
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Acker BA, Jacobsen EJ, Rogers BN, Wishka DG, Reitz SC,...
Acker BA, Jacobsen EJ, Rogers BN, Wishka DG, Reitz SC, Piotrowski DW, Myers JK, Wolfe ML, Groppi VE, Thornburgh BA, Tinholt PM, Walters RR, Olson BA, Fitzgerald L, Staton BA, Raub TJ, Krause M, Li KS, Hoffmann WE, Hajos M, Hurst RS, Walker DP.
Discovery of N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide as an agonist of the alpha7... Acker BA, Jacobsen EJ, Rogers BN, Wishka DG, Reitz SC, Piotrowski DW, Myers JK, Wolfe ML, Groppi VE, Thornburgh BA, Tinholt PM, Walters RR, Olson BA, Fitzgerald L, Staton BA, Raub TJ, Krause M, Li KS, Hoffmann WE, Hajos M, Hurst RS, Walker DP.: Discovery of N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide as an agonist of the alpha7 nicotinic acetylcholine receptor: in vitro and in vivo activity. Bioorg Med Chem Lett, Volume 18 (12), 2008 Bioorg Med Chem Lett 2008 18490160
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Acker TM, Khatri A, Vance KM, Slabber C, Bacsa J, Snyder...
Acker TM, Khatri A, Vance KM, Slabber C, Bacsa J, Snyder JP, Traynelis SF, Liotta DC.
Structure-activity relationships and pharmacophore model of a noncompetitive pyrazoline containing class of... Acker TM, Khatri A, Vance KM, Slabber C, Bacsa J, Snyder JP, Traynelis SF, Liotta DC.: Structure-activity relationships and pharmacophore model of a noncompetitive pyrazoline containing class of GluN2C/GluN2D selective antagonists. J Med Chem, Volume 56 (16), 2013 J Med Chem 2013 23909910
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Adachi H, Suzuki T, Abe M, Asano N, Mizutamari H, Tanemoto...
Adachi H, Suzuki T, Abe M, Asano N, Mizutamari H, Tanemoto M, Nishio T, Onogawa T, Toyohara T, Kasai S, Satoh F, Suzuki M, Tokui T, Unno M, Shimosegawa T, Matsuno S, Ito S, Abe T.
Molecular characterization of human and rat organic anion transporter OATP-D. Adachi H, Suzuki T, Abe M, Asano N, Mizutamari H, Tanemoto M, Nishio T, Onogawa T, Toyohara T, Kasai S, Satoh F, Suzuki M, Tokui T, Unno M, Shimosegawa T, Matsuno S, Ito S, Abe T.: Molecular characterization of human and rat organic anion transporter OATP-D. Am J Physiol Renal Physiol, Volume 285 (6), 2003 Am J Physiol Renal Physiol 2003 14631946
Total substances: 2
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Total active interactions: 2
Adachi Y, Suzuki H, Sugiyama Y.
Adachi Y, Suzuki H, Sugiyama Y.
Comparative studies on in vitro methods for evaluating in vivo function of MDR1 P-glycoprotein. Adachi Y, Suzuki H, Sugiyama Y.: Comparative studies on in vitro methods for evaluating in vivo function of MDR1 P-glycoprotein. Pharm Res, Volume 18 (12), 2001 Pharm Res 2001 11785684
Total substances: 3
Total passive interactions: 0
Total active interactions: 4
Adam JM, Clark JK, Davies K, Everett K, Fields R, Francis...
Adam JM, Clark JK, Davies K, Everett K, Fields R, Francis S, Jeremiah F, Kiyoi T, Maidment M, Morrison A, Ratcliffe P, Prosser A, Schulz J, Wishart G, Baker J, Boyce S, Campbell R, Cottney JE, Deehan M, Martin I.
Low brain penetrant CB1 receptor agonists for the treatment of neuropathic pain. Adam JM, Clark JK, Davies K, Everett K, Fields R, Francis S, Jeremiah F, Kiyoi T, Maidment M, Morrison A, Ratcliffe P, Prosser A, Schulz J, Wishart G, Baker J, Boyce S, Campbell R, Cottney JE, Deehan M, Martin I.: Low brain penetrant CB1 receptor agonists for the treatment of neuropathic pain. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22421020
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Adams ND, Adams JL, Burgess JL, Chaudhari AM, Copeland RA,...
Adams ND, Adams JL, Burgess JL, Chaudhari AM, Copeland RA, Donatelli CA, Drewry DH, Fisher KE, Hamajima T, Hardwicke MA, Huffman WF, Koretke-Brown KK, Lai ZV, McDonald OB, Nakamura H, Newlander KA, Oleykowski CA, Parrish CA, Patrick DR, Plant R, Sarpong MA, Sasaki K, Schmidt SJ, Silva DJ, Sutton D, Tang J, Thompson CS, Tummino PJ, Wang JC, Xiang H, Yang J, Dhanak D.
Discovery of GSK1070916, a potent and selective inhibitor of Aurora B/C kinase. Adams ND, Adams JL, Burgess JL, Chaudhari AM, Copeland RA, Donatelli CA, Drewry DH, Fisher KE, Hamajima T, Hardwicke MA, Huffman WF, Koretke-Brown KK, Lai ZV, McDonald OB, Nakamura H, Newlander KA, Oleykowski CA, Parrish CA, Patrick DR, Plant R, Sarpong MA, Sasaki K, Schmidt SJ, Silva DJ, Sutton D, Tang J, Thompson CS, Tummino PJ, Wang JC, Xiang H, Yang J, Dhanak D.: Discovery of GSK1070916, a potent and selective inhibitor of Aurora B/C kinase. J Med Chem, Volume 53 (10), 2010 J Med Chem 2010 20420387
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Adebesin AM, Wesser T, Vijaykumar J, Konkel A, Paudyal MP,...
Adebesin AM, Wesser T, Vijaykumar J, Konkel A, Paudyal MP, Lossie J, Zhu C, Westphal C, Puli N, Fischer R, Schunck WH, Falck JR.
Development of Robust 17(R),18(S)-Epoxyeicosatetraenoic Acid (17,18-EEQ) Analogues as Potential Clinical... Adebesin AM, Wesser T, Vijaykumar J, Konkel A, Paudyal MP, Lossie J, Zhu C, Westphal C, Puli N, Fischer R, Schunck WH, Falck JR.: Development of Robust 17(R),18(S)-Epoxyeicosatetraenoic Acid (17,18-EEQ) Analogues as Potential Clinical Antiarrhythmic Agents. J Med Chem, Volume 62 (22), 2019 J Med Chem 2019 31693857
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Adelstein GW, Yen CH, Haack RA, Yu S, Gullikson G, Price...
Adelstein GW, Yen CH, Haack RA, Yu S, Gullikson G, Price DV, Anglin C, Decktor DL, Tsai H, Keith RH.
Substituted 2-[(2-benzimidazolylsulfinyl)methyl]anilines as potential inhibitors of H+/K+ ATPase. Adelstein GW, Yen CH, Haack RA, Yu S, Gullikson G, Price DV, Anglin C, Decktor DL, Tsai H, Keith RH.: Substituted 2-[(2-benzimidazolylsulfinyl)methyl]anilines as potential inhibitors of H+/K+ ATPase. J Med Chem, Volume 31 (6), 1988 J Med Chem 1988 2836591
Total substances: 2
Total passive interactions: 0
Total active interactions: 4
Adkison KK, Barrett DG, Deaton DN, Gampe RT, Hassell AM,...
Adkison KK, Barrett DG, Deaton DN, Gampe RT, Hassell AM, Long ST, McFadyen RB, Miller AB, Miller LR, Payne JA, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.
Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Adkison KK, Barrett DG, Deaton DN, Gampe RT, Hassell AM, Long ST, McFadyen RB, Miller AB, Miller LR, Payne JA, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg Med Chem Lett, Volume 16 (4), 2006 Bioorg Med Chem Lett 2006 16290936
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Adrian Meredith J, Wallberg H, Vrang L, Oscarson S, Parkes...
Adrian Meredith J, Wallberg H, Vrang L, Oscarson S, Parkes K, Hallberg A, Samuelsson B.
Design and synthesis of novel P2 substituents in diol-based HIV protease inhibitors. Adrian Meredith J, Wallberg H, Vrang L, Oscarson S, Parkes K, Hallberg A, Samuelsson B.: Design and synthesis of novel P2 substituents in diol-based HIV protease inhibitors. Eur J Med Chem, Volume 45 (1), 2010 Eur J Med Chem 2010 19926360
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Agoston GE, Wu JH, Izenwasser S, George C, Katz J, Kline...
Agoston GE, Wu JH, Izenwasser S, George C, Katz J, Kline RH, Newman AH.
Novel N-substituted 3 alpha-[bis(4'-fluorophenyl)methoxy]tropane analogues: selective ligands for the dopamine... Agoston GE, Wu JH, Izenwasser S, George C, Katz J, Kline RH, Newman AH.: Novel N-substituted 3 alpha-[bis(4'-fluorophenyl)methoxy]tropane analogues: selective ligands for the dopamine transporter. J Med Chem, Volume 40 (26), 1997 J Med Chem 1997 9435902
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Ahlin G, Chen L, Lazorova L, Chen Y, Ianculescu AG, Davis...
Ahlin G, Chen L, Lazorova L, Chen Y, Ianculescu AG, Davis RL, Giacomini KM, Artursson P.
Genotype-dependent effects of inhibitors of the organic cation transporter, OCT1: predictions of metformin interactions. Ahlin G, Chen L, Lazorova L, Chen Y, Ianculescu AG, Davis RL, Giacomini KM, Artursson P.: Genotype-dependent effects of inhibitors of the organic cation transporter, OCT1: predictions of metformin interactions. Pharmacogenomics J, Volume 11 (6), 2011 Pharmacogenomics J 2011 20567254
Total substances: 16
Total passive interactions: 0
Total active interactions: 16
Ahlin G, Karlsson J, Pedersen JM, Gustavsson L, Larsson R,...
Ahlin G, Karlsson J, Pedersen JM, Gustavsson L, Larsson R, Matsson P, Norinder U, Bergström CA, Artursson P.
Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1. Ahlin G, Karlsson J, Pedersen JM, Gustavsson L, Larsson R, Matsson P, Norinder U, Bergström CA, Artursson P.: Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1. J Med Chem, Volume 51 (19), 2008 J Med Chem 2008 18788725
Total substances: 45
Total passive interactions: 0
Total active interactions: 45
Ahmad S, Doweyko LM, Dugar S, Grazier N, Ngu K, Wu SC, Yost...
Ahmad S, Doweyko LM, Dugar S, Grazier N, Ngu K, Wu SC, Yost KJ, Chen BC, Gougoutas JZ, DiMarco JD, Lan SJ, Gavin BJ, Chen AY, Dorso CR, Serafino R, Kirby M, Atwal KS.
Arylcyclopropanecarboxyl guanidines as novel, potent, and selective inhibitors of the sodium hydrogen exchanger... Ahmad S, Doweyko LM, Dugar S, Grazier N, Ngu K, Wu SC, Yost KJ, Chen BC, Gougoutas JZ, DiMarco JD, Lan SJ, Gavin BJ, Chen AY, Dorso CR, Serafino R, Kirby M, Atwal KS.: Arylcyclopropanecarboxyl guanidines as novel, potent, and selective inhibitors of the sodium hydrogen exchanger isoform-1. J Med Chem, Volume 44 (20), 2001 J Med Chem 2001 11563929
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Ahmed I, Gokhale RD, Shah MV, Patton TF.
Ahmed I, Gokhale RD, Shah MV, Patton TF.
Physicochemical determinants of drug diffusion across the conjunctiva, sclera, and cornea. Ahmed I, Gokhale RD, Shah MV, Patton TF.: Physicochemical determinants of drug diffusion across the conjunctiva, sclera, and cornea. J Pharm Sci, Volume 76 (8), 583-586, 1987 J Pharm Sci 1987 11002815
Total substances: 6
Total passive interactions: 6
Total active interactions: 0
Ahmed S, Ayscough A, Barker GR, Canning HE, Davenport R,...
Ahmed S, Ayscough A, Barker GR, Canning HE, Davenport R, Downham R, Harrison D, Jenkins K, Kinsella N, Livermore DG, Wright S, Ivetac AD, Skene R, Wilkens SJ, Webster NA, Hendrick AG.
1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding... Ahmed S, Ayscough A, Barker GR, Canning HE, Davenport R, Downham R, Harrison D, Jenkins K, Kinsella N, Livermore DG, Wright S, Ivetac AD, Skene R, Wilkens SJ, Webster NA, Hendrick AG.: 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction. J Med Chem, Volume 60 (13), 2017 J Med Chem 2017 28594552
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Ahmed-Belkacem A, Macalou S, Borrelli F, Capasso R,...
Ahmed-Belkacem A, Macalou S, Borrelli F, Capasso R, Fattorusso E, Taglialatela-Scafati O, Di Pietro A.
Nonprenylated rotenoids, a new class of potent breast cancer resistance protein inhibitors. Ahmed-Belkacem A, Macalou S, Borrelli F, Capasso R, Fattorusso E, Taglialatela-Scafati O, Di Pietro A.: Nonprenylated rotenoids, a new class of potent breast cancer resistance protein inhibitors. J Med Chem, Volume 50 (8), 2007 J Med Chem 2007 17341062
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Ai Y, Hu Y, Kang F, Lai Y, Jia Y, Huang Z, Peng S, Ji H,...
Ai Y, Hu Y, Kang F, Lai Y, Jia Y, Huang Z, Peng S, Ji H, Tian J, Zhang Y.
Synthesis and Biological Evaluation of Novel Olean-28,13β-lactams as Potential Antiprostate Cancer Agents. Ai Y, Hu Y, Kang F, Lai Y, Jia Y, Huang Z, Peng S, Ji H, Tian J, Zhang Y.: Synthesis and Biological Evaluation of Novel Olean-28,13β-lactams as Potential Antiprostate Cancer Agents. J Med Chem, Volume 58 (11), 2015 J Med Chem 2015 25992974
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Aiguadé J, Balagué C, Carranco I, Caturla F, Domínguez...
Aiguadé J, Balagué C, Carranco I, Caturla F, Domínguez M, Eastwood P, Esteve C, González J, Lumeras W, Orellana A, Preciado S, Roca R, Vidal L, Vidal B.
Novel triazolopyridylbenzamides as potent and selective p38α inhibitors. Aiguadé J, Balagué C, Carranco I, Caturla F, Domínguez M, Eastwood P, Esteve C, González J, Lumeras W, Orellana A, Preciado S, Roca R, Vidal L, Vidal B.: Novel triazolopyridylbenzamides as potent and selective p38α inhibitors. Bioorg Med Chem Lett, Volume 22 (10), 2012 Bioorg Med Chem Lett 2012 22521646
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Akamatsu M.
Akamatsu M.
Importance of physicochemical properties for the design of new pesticides. Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011 J Agric Food Chem 2011 20879794
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Akeson MA, Munns DN.
Akeson MA, Munns DN.
Lipid bilayer permeation by neutral aluminum citrate and by three alpha-hydroxy carboxylic acids. Akeson MA, Munns DN.: Lipid bilayer permeation by neutral aluminum citrate and by three alpha-hydroxy carboxylic acids. Biochim Biophys Acta, Volume 984 (2), 1989 Biochim Biophys Acta 1989 2765549
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Akopian AN, Sivilotti L, Wood JN.
Akopian AN, Sivilotti L, Wood JN.
A tetrodotoxin-resistant voltage-gated sodium channel expressed by sensory neurons. Akopian AN, Sivilotti L, Wood JN.: A tetrodotoxin-resistant voltage-gated sodium channel expressed by sensory neurons. Nature, Volume 379 (6562), 1996 Nature 1996 8538791
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Akwabi-Ameyaw A, Bass JY, Caldwell RD, Caravella JA, Chen...
Akwabi-Ameyaw A, Bass JY, Caldwell RD, Caravella JA, Chen L, Creech KL, Deaton DN, Jones SA, Kaldor I, Liu Y, Madauss KP, Marr HB, McFadyen RB, Miller AB, Navas F, Parks DJ, Spearing PK, Todd D, Williams SP, Wisely GB.
Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Akwabi-Ameyaw A, Bass JY, Caldwell RD, Caravella JA, Chen L, Creech KL, Deaton DN, Jones SA, Kaldor I, Liu Y, Madauss KP, Marr HB, McFadyen RB, Miller AB, Navas F, Parks DJ, Spearing PK, Todd D, Williams SP, Wisely GB.: Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg Med Chem Lett, Volume 18 (15), 2008 Bioorg Med Chem Lett 2008 18621523
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Al-Baghdadi OB, Prater NI, Van der Schyf CJ, Geldenhuys WJ.
Al-Baghdadi OB, Prater NI, Van der Schyf CJ, Geldenhuys WJ.
Inhibition of monoamine oxidase by derivatives of piperine, an alkaloid from the pepper plant Piper nigrum, for... Al-Baghdadi OB, Prater NI, Van der Schyf CJ, Geldenhuys WJ.: Inhibition of monoamine oxidase by derivatives of piperine, an alkaloid from the pepper plant Piper nigrum, for possible use in Parkinson's disease. Bioorg Med Chem Lett, Volume 22 (23), 2012 Bioorg Med Chem Lett 2012 23102654
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Al-Sabi A, Daly D, Hoefer P, Kinsella GK, Metais C,...
Al-Sabi A, Daly D, Hoefer P, Kinsella GK, Metais C, Pickering M, Herron C, Kaza SK, Nolan K, Dolly JO.
A Rational Design of a Selective Inhibitor for Kv1.1 Channels Prevalent in Demyelinated Nerves That Improves Their... Al-Sabi A, Daly D, Hoefer P, Kinsella GK, Metais C, Pickering M, Herron C, Kaza SK, Nolan K, Dolly JO.: A Rational Design of a Selective Inhibitor for Kv1.1 Channels Prevalent in Demyelinated Nerves That Improves Their Impaired Axonal Conduction. J Med Chem, Volume 60 (6), 2017 J Med Chem 2017 28225274
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
Alaux S, Kusk M, Sagot E, Bolte J, Jensen AA,...
Alaux S, Kusk M, Sagot E, Bolte J, Jensen AA, Bräuner-Osborne H, Gefflaut T, Bunch L.
Chemoenzymatic synthesis of a series of 4-substituted glutamate analogues and pharmacological characterization at human... Alaux S, Kusk M, Sagot E, Bolte J, Jensen AA, Bräuner-Osborne H, Gefflaut T, Bunch L.: Chemoenzymatic synthesis of a series of 4-substituted glutamate analogues and pharmacological characterization at human glutamate transporters subtypes 1-3. J Med Chem, Volume 48 (25), 2005 J Med Chem 2005 16335922
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Albrecht W, Unger A, Bauer SM, Laufer SA.
Albrecht W, Unger A, Bauer SM, Laufer SA.
Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a... Albrecht W, Unger A, Bauer SM, Laufer SA.: Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases. J Med Chem, Volume 60 (13), 2017 J Med Chem 2017 28613871
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Alen J, Schade M, Wagener M, Christian F, Nordhoff S, Merla...
Alen J, Schade M, Wagener M, Christian F, Nordhoff S, Merla B, Dunkern TR, Bahrenberg G, Ratcliffe P.
Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. Alen J, Schade M, Wagener M, Christian F, Nordhoff S, Merla B, Dunkern TR, Bahrenberg G, Ratcliffe P.: Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J Med Chem, Volume 62 (13), 2019 J Med Chem 2019 31244106
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J. Alen, A. Bourin, S. Boland, J. Geraets, P....
J. Alen, A. Bourin, S. Boland, J. Geraets, P. Schroeders, O. Defert
Tetrahydro-pyrimido-indoles as selective LIMK inhibitors: synthesis, selectivity profiling and structure–activity... Alen, J.; A. Bourin, S. Boland, J. Geraets, P. Schroeders, O. Defert: Tetrahydro-pyrimido-indoles as selective LIMK inhibitors: synthesis, selectivity profiling and structure–activity studies. Med. Chem. Commun., 2016,7, 478-483, 10.1039/C5MD00473J MedChemComm 2016 10.1039/C5MD004...
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AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H,...
AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H, Abu-Serie MM, Janockova J, Soukup O, Ghareeb DA, El-Yazbi AF, Rafeh RW, Bakkar NZ, Kobeissy F, Iriepa I, Moraleda I, Saudi MNS, Bartolini M, Belal ASF.
Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases,... AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H, Abu-Serie MM, Janockova J, Soukup O, Ghareeb DA, El-Yazbi AF, Rafeh RW, Bakkar NZ, Kobeissy F, Iriepa I, Moraleda I, Saudi MNS, Bartolini M, Belal ASF.: Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase. Eur J Med Chem, Volume 167, 2019 Eur J Med Chem 2019 30771604
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Alig L, Alsenz J, Andjelkovic M, Bendels S, Bénardeau A,...
Alig L, Alsenz J, Andjelkovic M, Bendels S, Bénardeau A, Bleicher K, Bourson A, David-Pierson P, Guba W, Hildbrand S, Kube D, Lübbers T, Mayweg AV, Narquizian R, Neidhart W, Nettekoven M, Plancher JM, Rocha C, Rogers-Evans M, Röver S, Schneider G, Taylor S, Waldmeier P.
Benzodioxoles: novel cannabinoid-1 receptor inverse agonists for the treatment of obesity. Alig L, Alsenz J, Andjelkovic M, Bendels S, Bénardeau A, Bleicher K, Bourson A, David-Pierson P, Guba W, Hildbrand S, Kube D, Lübbers T, Mayweg AV, Narquizian R, Neidhart W, Nettekoven M, Plancher JM, Rocha C, Rogers-Evans M, Röver S, Schneider G, Taylor S, Waldmeier P.: Benzodioxoles: novel cannabinoid-1 receptor inverse agonists for the treatment of obesity. J Med Chem, Volume 51 (7), 2008 J Med Chem 2008 18335976
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Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin...
Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.
Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010 Bioorg Med Chem Lett 2010 20580234
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Allan AC, Billinton A, Brown SH, Chowdhury A, Eatherton AJ,...
Allan AC, Billinton A, Brown SH, Chowdhury A, Eatherton AJ, Fieldhouse C, Giblin GM, Goldsmith P, Hall A, Hurst DN, Naylor A, Rawlings DA, Sime M, Scoccitti T, Theobald PJ.
Discovery of a novel series of nonacidic benzofuran EP1 receptor antagonists. Allan AC, Billinton A, Brown SH, Chowdhury A, Eatherton AJ, Fieldhouse C, Giblin GM, Goldsmith P, Hall A, Hurst DN, Naylor A, Rawlings DA, Sime M, Scoccitti T, Theobald PJ.: Discovery of a novel series of nonacidic benzofuran EP1 receptor antagonists. Bioorg Med Chem Lett, Volume 21 (14), 2011 Bioorg Med Chem Lett 2011 21676612
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Allegretti PA, Horton TM, Abdolazimi Y, Moeller HP, Yeh B,...
Allegretti PA, Horton TM, Abdolazimi Y, Moeller HP, Yeh B, Caffet M, Michel G, Smith M, Annes JP.
Generation of highly potent DYRK1A-dependent inducers of human β-Cell replication via Multi-Dimensional compound... Allegretti PA, Horton TM, Abdolazimi Y, Moeller HP, Yeh B, Caffet M, Michel G, Smith M, Annes JP.: Generation of highly potent DYRK1A-dependent inducers of human β-Cell replication via Multi-Dimensional compound optimization. Bioorg Med Chem, Volume 28 (1), 2020 Bioorg Med Chem 2020 31757680
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Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM,...
Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM, Ellis D, Lane CA, Maw GN, Mount NM, Rawson DJ, Robinson CM, Street SD, Summerhill NW.
A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral... Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM, Ellis D, Lane CA, Maw GN, Mount NM, Rawson DJ, Robinson CM, Street SD, Summerhill NW.: A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. J Med Chem, Volume 49 (12), 2006 J Med Chem 2006 16759100
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Alleyn T. Plowright, Peter Barton, Stuart Bennett, Alan...
Alleyn T. Plowright, Peter Barton, Stuart Bennett, Alan M. Birch, Susan Birtles, Linda K. Buckett, Roger J. Butlin, Robert D. M. Davies, Anne Ertan, Pablo Morentin Gutierrez, Paul D. Kemmitt, Andrew G. Leach, Per H. Svensson, Andrew V. Turnbull, Michael J. Waring
Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl... Alleyn T. Plowright, Peter Barton, Stuart Bennett, Alan M. Birch, Susan Birtles, Linda K. Buckett, Roger J. Butlin, Robert D. M. Davies, Anne Ertan, Pablo Morentin Gutierrez, Paul D. Kemmitt, Andrew G. Leach, Per H. Svensson, Andrew V. Turnbull, Michael J. Waring. Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1. Med. Chem. Commun., 2013,4, 151-158, 10.1039/C2MD20187A MedChemComm 2014 10.1039/C2MD201...
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Allison BD, Phuong VK, McAtee LC, Rosen M, Morton M,...
Allison BD, Phuong VK, McAtee LC, Rosen M, Morton M, Prendergast C, Barrett T, Lagaud G, Freedman J, Li L, Wu X, Venkatesan H, Pippel M, Woods C, Rizzolio MC, Hack M, Hoey K, Deng X, King C, Shankley NP, Rabinowitz MH.
Identification and optimization of anthranilic sulfonamides as novel, selective cholecystokinin-2 receptor antagonists. Allison BD, Phuong VK, McAtee LC, Rosen M, Morton M, Prendergast C, Barrett T, Lagaud G, Freedman J, Li L, Wu X, Venkatesan H, Pippel M, Woods C, Rizzolio MC, Hack M, Hoey K, Deng X, King C, Shankley NP, Rabinowitz MH.: Identification and optimization of anthranilic sulfonamides as novel, selective cholecystokinin-2 receptor antagonists. J Med Chem, Volume 49 (21), 2006 J Med Chem 2006 17034143
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Alonso JA, Andrés M, Bravo M, Buil MA, Calbet M, Castro J,...
Alonso JA, Andrés M, Bravo M, Buil MA, Calbet M, Castro J, Eastwood PR, Eichhorn P, Esteve C, Gómez E, González J, Mir M, Petit S, Roberts RS, Vidal B, Vidal L, Vilaseca P, Zanuy M.
Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic... Alonso JA, Andrés M, Bravo M, Buil MA, Calbet M, Castro J, Eastwood PR, Eichhorn P, Esteve C, Gómez E, González J, Mir M, Petit S, Roberts RS, Vidal B, Vidal L, Vilaseca P, Zanuy M.: Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists I. Bioorg Med Chem Lett, Volume 24 (21), 2014 Bioorg Med Chem Lett 2014 25437504
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Alverez C, Bulfer SL, Chakrasali R, Chimenti MS, Deshaies...
Alverez C, Bulfer SL, Chakrasali R, Chimenti MS, Deshaies RJ, Green N, Kelly M, LaPorte MG, Lewis TS, Liang M, Moore WJ, Neitz RJ, Peshkov VA, Walters MA, Zhang F, Arkin MR, Wipf P, Huryn DM.
Allosteric Indole Amide Inhibitors of p97: Identification of a Novel Probe of the Ubiquitin Pathway. Alverez C, Bulfer SL, Chakrasali R, Chimenti MS, Deshaies RJ, Green N, Kelly M, LaPorte MG, Lewis TS, Liang M, Moore WJ, Neitz RJ, Peshkov VA, Walters MA, Zhang F, Arkin MR, Wipf P, Huryn DM.: Allosteric Indole Amide Inhibitors of p97: Identification of a Novel Probe of the Ubiquitin Pathway. ACS Med Chem Lett, Volume 7 (2), 2016 ACS Med Chem Lett 2016 26985295
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Alverez CN, Park JE, Toti KS, Xia Y, Krausz KW, Rai G, Bang...
Alverez CN, Park JE, Toti KS, Xia Y, Krausz KW, Rai G, Bang JK, Gonzalez FJ, Jacobson KA, Lee KS.
Identification of a New Heterocyclic Scaffold for Inhibitors of the Polo-Box Domain of Polo-like Kinase 1. Alverez CN, Park JE, Toti KS, Xia Y, Krausz KW, Rai G, Bang JK, Gonzalez FJ, Jacobson KA, Lee KS.: Identification of a New Heterocyclic Scaffold for Inhibitors of the Polo-Box Domain of Polo-like Kinase 1. J Med Chem, Volume 63 (22), 2020 J Med Chem 2020 33175530
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Alves SLG, Paixão N, Ferreira LGR, Santos FRS, Neves LDR,...
Alves SLG, Paixão N, Ferreira LGR, Santos FRS, Neves LDR, Oliveira GC, Cortes VF, Salomé KS, Barison A, Santos FV, Cenzi G, Varotti FP, Oliveira SMF, Taranto AG, Comar M, Silva LM, Noël F, Quintas LEM, Barbosa LA, Villar JAFP.
γ-Benzylidene digoxin derivatives synthesis and molecular modeling: Evaluation of anticancer and the Na,K-ATPase... Alves SLG, Paixão N, Ferreira LGR, Santos FRS, Neves LDR, Oliveira GC, Cortes VF, Salomé KS, Barison A, Santos FV, Cenzi G, Varotti FP, Oliveira SMF, Taranto AG, Comar M, Silva LM, Noël F, Quintas LEM, Barbosa LA, Villar JAFP.: γ-Benzylidene digoxin derivatives synthesis and molecular modeling: Evaluation of anticancer and the Na,K-ATPase activity effect. Bioorg Med Chem, Volume 23 (15), 2015 Bioorg Med Chem 2015 26122772
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Total passive interactions: 0
Total active interactions: 1
Amberg W, Lange UEW, Ochse M, Pohlki F, Behl B, Relo AL,...
Amberg W, Lange UEW, Ochse M, Pohlki F, Behl B, Relo AL, Hornberger W, Hoft C, Mezler M, Sydor J, Wang Y, Zhao H, Brewer JT, Dietrich J, Li H, Akritopoulou-Zanze I, Lao Y, Hannick SM, Ku YY, Vasudevan A.
Discovery of Novel Aminotetralines and Aminochromanes as Selective and Competitive Glycine Transporter 1 (GlyT1)... Amberg W, Lange UEW, Ochse M, Pohlki F, Behl B, Relo AL, Hornberger W, Hoft C, Mezler M, Sydor J, Wang Y, Zhao H, Brewer JT, Dietrich J, Li H, Akritopoulou-Zanze I, Lao Y, Hannick SM, Ku YY, Vasudevan A.: Discovery of Novel Aminotetralines and Aminochromanes as Selective and Competitive Glycine Transporter 1 (GlyT1) Inhibitors. J Med Chem, Volume 61 (17), 2018 J Med Chem 2018 30080045
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Total passive interactions: 0
Total active interactions: 2
Ambudkar SV, Lelong IH, Zhang J, Cardarelli CO, Gottesman...
Ambudkar SV, Lelong IH, Zhang J, Cardarelli CO, Gottesman MM, Pastan I.
Partial purification and reconstitution of the human multidrug-resistance pump: characterization of the... Ambudkar SV, Lelong IH, Zhang J, Cardarelli CO, Gottesman MM, Pastan I.: Partial purification and reconstitution of the human multidrug-resistance pump: characterization of the drug-stimulatable ATP hydrolysis. Proc Natl Acad Sci U S A, Volume 89 (18), 1992 Proc Natl Acad Sci U S A 1992 1356264
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Ameriks MK, Ao H, Carruthers NI, Lord B, Ravula S, Rech JC,...
Ameriks MK, Ao H, Carruthers NI, Lord B, Ravula S, Rech JC, Savall BM, Wall JL, Wang Q, Bhattacharya A, Letavic MA.
Preclinical characterization of substituted 6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one P2X7 receptor... Ameriks MK, Ao H, Carruthers NI, Lord B, Ravula S, Rech JC, Savall BM, Wall JL, Wang Q, Bhattacharya A, Letavic MA.: Preclinical characterization of substituted 6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one P2X7 receptor antagonists. Bioorg Med Chem Lett, Volume 26 (2), 2016 Bioorg Med Chem Lett 2016 26707399
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Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE,...
Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.
(3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent,... Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009 Bioorg Med Chem Lett 2009 19275964
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Amundsen R, Christensen H, Zabihyan B, Asberg A.
Amundsen R, Christensen H, Zabihyan B, Asberg A.
Cyclosporine A, but not tacrolimus, shows relevant inhibition of organic anion-transporting protein 1B1-mediated... Amundsen R, Christensen H, Zabihyan B, Asberg A.: Cyclosporine A, but not tacrolimus, shows relevant inhibition of organic anion-transporting protein 1B1-mediated transport of atorvastatin. Drug Metab Dispos, Volume 38 (9), 2010 Drug Metab Dispos 2010 20519340
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Total active interactions: 1
Andersen JL, Lindberg S, Langgård M, Maltas PJ, Rønn LCB,...
Andersen JL, Lindberg S, Langgård M, Maltas PJ, Rønn LCB, Bundgaard C, Strandbygaard D, Thirup S, Watson SP.
The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin. Andersen JL, Lindberg S, Langgård M, Maltas PJ, Rønn LCB, Bundgaard C, Strandbygaard D, Thirup S, Watson SP.: The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin. Bioorg Med Chem Lett, Volume 27 (11), 2017 Bioorg Med Chem Lett 2017 28462834
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Anderson DR, Meyers MJ, Vernier WF, Mahoney MW, Kurumbail...
Anderson DR, Meyers MJ, Vernier WF, Mahoney MW, Kurumbail RG, Caspers N, Poda GI, Schindler JF, Reitz DB, Mourey RJ.
Pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). Anderson DR, Meyers MJ, Vernier WF, Mahoney MW, Kurumbail RG, Caspers N, Poda GI, Schindler JF, Reitz DB, Mourey RJ.: Pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). J Med Chem, Volume 50 (11), 2007 J Med Chem 2007 17480064
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Andersson V, Bergström F, Brånalt J, Grönberg G,...
Andersson V, Bergström F, Brånalt J, Grönberg G, Gustafsson D, Karlsson S, Polla M, Bergman J, Kihlberg J.
Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient... Andersson V, Bergström F, Brånalt J, Grönberg G, Gustafsson D, Karlsson S, Polla M, Bergman J, Kihlberg J.: Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient Bioconversion but Low Bioavailability. J Med Chem, Volume 59 (14), 2016 J Med Chem 2016 27347787
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Andrés M, Bravo M, Buil MA, Calbet M, Castro J, Domènech...
Andrés M, Bravo M, Buil MA, Calbet M, Castro J, Domènech T, Eichhorn P, Ferrer M, Gómez E, Lehner MD, Moreno I, Roberts RS, Sevilla S.
2-(1H-Pyrazol-4-yl)acetic acids as CRTh2 antagonists. Andrés M, Bravo M, Buil MA, Calbet M, Castro J, Domènech T, Eichhorn P, Ferrer M, Gómez E, Lehner MD, Moreno I, Roberts RS, Sevilla S.: 2-(1H-Pyrazol-4-yl)acetic acids as CRTh2 antagonists. Bioorg Med Chem Lett, Volume 23 (11), 2013 Bioorg Med Chem Lett 2013 23601708
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Andrés M, Buil MA, Calbet M, Casado O, Castro J, Eastwood...
Andrés M, Buil MA, Calbet M, Casado O, Castro J, Eastwood PR, Eichhorn P, Ferrer M, Forns P, Moreno I, Petit S, Roberts RS.
Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of pyrrolopiperidinone acetic acids as... Andrés M, Buil MA, Calbet M, Casado O, Castro J, Eastwood PR, Eichhorn P, Ferrer M, Forns P, Moreno I, Petit S, Roberts RS.: Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of pyrrolopiperidinone acetic acids as CRTh2 antagonists. Bioorg Med Chem Lett, Volume 24 (21), 2014 Bioorg Med Chem Lett 2014 25437503
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Andrews KM, Beebe DA, Benbow JW, Boyer DA, Doran SD, Hui Y,...
Andrews KM, Beebe DA, Benbow JW, Boyer DA, Doran SD, Hui Y, Liu S, McPherson RK, Neagu C, Parker JC, Piotrowski DW, Schneider SR, Treadway JL, VanVolkenberg MA, Zembrowski WJ.
1-((3S,4S)-4-amino-1-(4-substituted-1,3,5-triazin-2-yl) pyrrolidin-3-yl)-5,5-difluoropiperidin-2-one inhibitors of... Andrews KM, Beebe DA, Benbow JW, Boyer DA, Doran SD, Hui Y, Liu S, McPherson RK, Neagu C, Parker JC, Piotrowski DW, Schneider SR, Treadway JL, VanVolkenberg MA, Zembrowski WJ.: 1-((3S,4S)-4-amino-1-(4-substituted-1,3,5-triazin-2-yl) pyrrolidin-3-yl)-5,5-difluoropiperidin-2-one inhibitors of DPP-4 for the treatment of type 2 diabetes. Bioorg Med Chem Lett, Volume 21 (6), 2011 Bioorg Med Chem Lett 2011 21324688
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Andrews M, Brown A, Chiva JY, Fradet D, Gordon D, Lansdell...
Andrews M, Brown A, Chiva JY, Fradet D, Gordon D, Lansdell M, MacKenny M.
Design and optimisation of selective serotonin re-uptake inhibitors with high synthetic accessibility: part 2. Andrews M, Brown A, Chiva JY, Fradet D, Gordon D, Lansdell M, MacKenny M.: Design and optimisation of selective serotonin re-uptake inhibitors with high synthetic accessibility: part 2. Bioorg Med Chem Lett, Volume 19 (20), 2009 Bioorg Med Chem Lett 2009 19740658
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Andrews M, Brown A, Chiva JY, Fradet D, Gordon D, Lansdell...
Andrews M, Brown A, Chiva JY, Fradet D, Gordon D, Lansdell M, MacKenny M.
Design and optimization of selective serotonin re-uptake inhibitors with high synthetic accessibility. Part 1. Andrews M, Brown A, Chiva JY, Fradet D, Gordon D, Lansdell M, MacKenny M.: Design and optimization of selective serotonin re-uptake inhibitors with high synthetic accessibility. Part 1. Bioorg Med Chem Lett, Volume 19 (8), 2009 Bioorg Med Chem Lett 2009 19282174
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Andrews MD, Fish PV, Blagg J, Brabham TK, Brennan PE,...
Andrews MD, Fish PV, Blagg J, Brabham TK, Brennan PE, Bridgeland A, Brown AD, Bungay PJ, Conlon KM, Edmunds NJ, af Forselles K, Gibbons CP, Green MP, Hanton G, Holbrook M, Jessiman AS, McIntosh K, McMurray G, Nichols CL, Root JA, Storer RI, Sutton MR, Ward RV, Westbrook D, Whitlock GA.
Pyrimido[4,5-d]azepines as potent and selective 5-HT2C receptor agonists: design, synthesis, and evaluation of... Andrews MD, Fish PV, Blagg J, Brabham TK, Brennan PE, Bridgeland A, Brown AD, Bungay PJ, Conlon KM, Edmunds NJ, af Forselles K, Gibbons CP, Green MP, Hanton G, Holbrook M, Jessiman AS, McIntosh K, McMurray G, Nichols CL, Root JA, Storer RI, Sutton MR, Ward RV, Westbrook D, Whitlock GA.: Pyrimido[4,5-d]azepines as potent and selective 5-HT2C receptor agonists: design, synthesis, and evaluation of PF-3246799 as a treatment for urinary incontinence. Bioorg Med Chem Lett, Volume 21 (9), 2011 Bioorg Med Chem Lett 2011 21195614
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Andriani G, Amata E, Beatty J, Clements Z, Coffey BJ,...
Andriani G, Amata E, Beatty J, Clements Z, Coffey BJ, Courtemanche G, Devine W, Erath J, Juda CE, Wawrzak Z, Wood JT, Lepesheva GI, Rodriguez A, Pollastri MP.
Antitrypanosomal lead discovery: identification of a ligand-efficient inhibitor of Trypanosoma cruzi CYP51 and parasite... Andriani G, Amata E, Beatty J, Clements Z, Coffey BJ, Courtemanche G, Devine W, Erath J, Juda CE, Wawrzak Z, Wood JT, Lepesheva GI, Rodriguez A, Pollastri MP.: Antitrypanosomal lead discovery: identification of a ligand-efficient inhibitor of Trypanosoma cruzi CYP51 and parasite growth. J Med Chem, Volume 56 (6), 2013 J Med Chem 2013 23448316
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Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R,...
Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.
Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020 J Med Chem 2020 32083858
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Angst D, Janser P, Quancard J, Buehlmayer P, Berst F,...
Angst D, Janser P, Quancard J, Buehlmayer P, Berst F, Oberer L, Beerli C, Streiff M, Pally C, Hersperger R, Bruns C, Bassilana F, Bollbuck B.
An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and... Angst D, Janser P, Quancard J, Buehlmayer P, Berst F, Oberer L, Beerli C, Streiff M, Pally C, Hersperger R, Bruns C, Bassilana F, Bollbuck B.: An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation. J Med Chem, Volume 55 (22), 2012 J Med Chem 2012 23067318
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Angus D, Bingham M, Buchanan D, Dunbar N, Gibson L, Goodwin...
Angus D, Bingham M, Buchanan D, Dunbar N, Gibson L, Goodwin R, Haunsø A, Houghton A, Huggett M, Morphy R, Napier S, Nimz O, Passmore J, Walker G.
The identification, and optimisation of hERG selectivity, of a mixed NET/SERT re-uptake inhibitor for the treatment of... Angus D, Bingham M, Buchanan D, Dunbar N, Gibson L, Goodwin R, Haunsø A, Houghton A, Huggett M, Morphy R, Napier S, Nimz O, Passmore J, Walker G.: The identification, and optimisation of hERG selectivity, of a mixed NET/SERT re-uptake inhibitor for the treatment of pain. Bioorg Med Chem Lett, Volume 21 (1), 2011 Bioorg Med Chem Lett 2011 21112782
Total substances: 0
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Total active interactions: 0
Ano R, Kimura Y, Shima M, Matsuno R, Ueno T, Akamatsu M.
Ano R, Kimura Y, Shima M, Matsuno R, Ueno T, Akamatsu M.
Relationships between structure and high-throughput screening permeability of peptide derivatives and related compounds... Ano R, Kimura Y, Shima M, Matsuno R, Ueno T, Akamatsu M.: Relationships between structure and high-throughput screening permeability of peptide derivatives and related compounds with artificial membranes: application to prediction of Caco-2 cell permeability. Bioorg Med Chem, Volume 12 (1), 2004 Bioorg Med Chem 2004 14697791
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Anselm L, Banner DW, Benz J, Zbinden KG, Himber J, Hilpert...
Anselm L, Banner DW, Benz J, Zbinden KG, Himber J, Hilpert H, Huber W, Kuhn B, Mary JL, Otteneder MB, Panday N, Ricklin F, Stahl M, Thomi S, Haap W.
Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid... Anselm L, Banner DW, Benz J, Zbinden KG, Himber J, Hilpert H, Huber W, Kuhn B, Mary JL, Otteneder MB, Panday N, Ricklin F, Stahl M, Thomi S, Haap W.: Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide] 4-[[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide] as a clinical candidate. Bioorg Med Chem Lett, Volume 20 (17), 2010 Bioorg Med Chem Lett 2010 20650636
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Antonenko YN, Pohl P, Denisov GA.
Antonenko YN, Pohl P, Denisov GA.
Permeation of ammonia across bilayer lipid membranes studied by ammonium ion selective microelectrodes. Antonenko YN, Pohl P, Denisov GA.: Permeation of ammonia across bilayer lipid membranes studied by ammonium ion selective microelectrodes. Biophys J, Volume 72 (5), 1997 Biophys J 1997 9129821
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Anumala UR, Waaler J, Nkizinkiko Y, Ignatev A, Lazarow K,...
Anumala UR, Waaler J, Nkizinkiko Y, Ignatev A, Lazarow K, Lindemann P, Olsen PA, Murthy S, Obaji E, Majouga AG, Leonov S, von Kries JP, Lehtiö L, Krauss S, Nazaré M.
Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach. Anumala UR, Waaler J, Nkizinkiko Y, Ignatev A, Lazarow K, Lindemann P, Olsen PA, Murthy S, Obaji E, Majouga AG, Leonov S, von Kries JP, Lehtiö L, Krauss S, Nazaré M.: Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach. J Med Chem, Volume 60 (24), 2017 J Med Chem 2017 29155568
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Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F,...
Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Morikami K, Takanashi K, Harada N, Tomii Y, Shiraki K, Furumoto K, Tabo M, Yoshinari K, Ori K, Aoki Y, Shimma N, Iikura H.
Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning. Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Morikami K, Takanashi K, Harada N, Tomii Y, Shiraki K, Furumoto K, Tabo M, Yoshinari K, Ori K, Aoki Y, Shimma N, Iikura H.: Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning. ACS Med Chem Lett, Volume 5 (4), 2014 ACS Med Chem Lett 2014 24900832
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Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F,...
Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ori K, Takanashi K, Harada N, Tomii Y, Tabo M, Yoshinari K, Aoki Y, Shimma N, Iikura H.
The sulfamide moiety affords higher inhibitory activity and oral bioavailability to a series of coumarin dual selective... Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ori K, Takanashi K, Harada N, Tomii Y, Tabo M, Yoshinari K, Aoki Y, Shimma N, Iikura H.: The sulfamide moiety affords higher inhibitory activity and oral bioavailability to a series of coumarin dual selective RAF/MEK inhibitors. Bioorg Med Chem Lett, Volume 23 (23), 2013 Bioorg Med Chem Lett 2013 24157370
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Aoyama A, Endo-Umeda K, Kishida K, Ohgane K,...
Aoyama A, Endo-Umeda K, Kishida K, Ohgane K, Noguchi-Yachide T, Aoyama H, Ishikawa M, Miyachi H, Makishima M, Hashimoto Y.
Design, synthesis, and biological evaluation of novel transrepression-selective liver X receptor (LXR) ligands with... Aoyama A, Endo-Umeda K, Kishida K, Ohgane K, Noguchi-Yachide T, Aoyama H, Ishikawa M, Miyachi H, Makishima M, Hashimoto Y.: Design, synthesis, and biological evaluation of novel transrepression-selective liver X receptor (LXR) ligands with 5,11-dihydro-5-methyl-11-methylene-6H-dibenz[b,e]azepin-6-one skeleton. J Med Chem, Volume 55 (17), 2012 J Med Chem 2012 22873709
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Apodaca R, Dvorak CA, Xiao W, Barbier AJ, Boggs JD, Wilson...
Apodaca R, Dvorak CA, Xiao W, Barbier AJ, Boggs JD, Wilson SJ, Lovenberg TW, Carruthers NI.
A new class of diamine-based human histamine H3 receptor antagonists: 4-(aminoalkoxy)benzylamines. Apodaca R, Dvorak CA, Xiao W, Barbier AJ, Boggs JD, Wilson SJ, Lovenberg TW, Carruthers NI.: A new class of diamine-based human histamine H3 receptor antagonists: 4-(aminoalkoxy)benzylamines. J Med Chem, Volume 46 (18), 2003 J Med Chem 2003 12930154
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Arai H, Hirasawa Y, Rahman A, Kusumawati I, Zaini NC, Sato...
Arai H, Hirasawa Y, Rahman A, Kusumawati I, Zaini NC, Sato S, Aoyama C, Takeo J, Morita H.
Alstiphyllanines E-H, picraline and ajmaline-type alkaloids from Alstonia macrophylla inhibiting sodium glucose... Arai H, Hirasawa Y, Rahman A, Kusumawati I, Zaini NC, Sato S, Aoyama C, Takeo J, Morita H.: Alstiphyllanines E-H, picraline and ajmaline-type alkaloids from Alstonia macrophylla inhibiting sodium glucose cotransporter. Bioorg Med Chem, Volume 18 (6), 2010 Bioorg Med Chem 2010 20189404
Total substances: 4
Total passive interactions: 0
Total active interactions: 6
Arcari JT, Beebe JS, Berliner MA, Bernardo V, Boehm M,...
Arcari JT, Beebe JS, Berliner MA, Bernardo V, Boehm M, Borzillo GV, Clark T, Cohen BD, Connell RD, Frost HN, Gordon DA, Hungerford WM, Kakar SM, Kanter A, Keene NF, Knauth EA, Lagreca SD, Lu Y, Martinez-Alsina L, Marx MA, Morris J, Patel NC, Savage D, Soderstrom CI, Thompson C, Tkalcevic G, Tom NJ, Vajdos FF, Valentine JJ, Vincent PW, Wessel MD, Chen JM.
Discovery and synthesis of novel 4-aminopyrrolopyrimidine Tie-2 kinase inhibitors for the treatment of solid tumors. Arcari JT, Beebe JS, Berliner MA, Bernardo V, Boehm M, Borzillo GV, Clark T, Cohen BD, Connell RD, Frost HN, Gordon DA, Hungerford WM, Kakar SM, Kanter A, Keene NF, Knauth EA, Lagreca SD, Lu Y, Martinez-Alsina L, Marx MA, Morris J, Patel NC, Savage D, Soderstrom CI, Thompson C, Tkalcevic G, Tom NJ, Vajdos FF, Valentine JJ, Vincent PW, Wessel MD, Chen JM.: Discovery and synthesis of novel 4-aminopyrrolopyrimidine Tie-2 kinase inhibitors for the treatment of solid tumors. Bioorg Med Chem Lett, Volume 23 (10), 2013 Bioorg Med Chem Lett 2013 23566514
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Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez...
Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.
Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of... Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009 J Med Chem 2009 19856923
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Armstrong D, Summers C, Ewart L, Nylander S, Sidaway JE,...
Armstrong D, Summers C, Ewart L, Nylander S, Sidaway JE, van Giezen JJ.
Characterization of the adenosine pharmacology of ticagrelor reveals therapeutically relevant inhibition of... Armstrong D, Summers C, Ewart L, Nylander S, Sidaway JE, van Giezen JJ.: Characterization of the adenosine pharmacology of ticagrelor reveals therapeutically relevant inhibition of equilibrative nucleoside transporter 1. J Cardiovasc Pharmacol Ther, Volume 19 (2), 2014 J Cardiovasc Pharmacol Ther 2014 24414167
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick...
Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.
Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity... Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007 J Med Chem 2007 17918822
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Arnold LA, Ranaivo P, Guy RK.
Arnold LA, Ranaivo P, Guy RK.
Synthesis and characterization of BODIPY-labeled colchicine. Arnold LA, Ranaivo P, Guy RK.: Synthesis and characterization of BODIPY-labeled colchicine. Bioorg Med Chem Lett, Volume 18 (22), 2008 Bioorg Med Chem Lett 2008 18684625
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Arnold NJ, Arnold R, Beer D, Bhalay G, Collingwood SP,...
Arnold NJ, Arnold R, Beer D, Bhalay G, Collingwood SP, Craig S, Devereux N, Dodds M, Dunstan AR, Fairhurst RA, Farr D, Fullerton JD, Glen A, Gomez S, Haberthuer S, Hatto JD, Howes C, Jones D, Keller TH, Leuenberger B, Moser HE, Muller I, Naef R, Nicklin PA, Sandham DA, Turner KL, Tweed MF, Watson SJ, Zurini M.
Potent and selective xanthine-based inhibitors of phosphodiesterase 5. Arnold NJ, Arnold R, Beer D, Bhalay G, Collingwood SP, Craig S, Devereux N, Dodds M, Dunstan AR, Fairhurst RA, Farr D, Fullerton JD, Glen A, Gomez S, Haberthuer S, Hatto JD, Howes C, Jones D, Keller TH, Leuenberger B, Moser HE, Muller I, Naef R, Nicklin PA, Sandham DA, Turner KL, Tweed MF, Watson SJ, Zurini M.: Potent and selective xanthine-based inhibitors of phosphodiesterase 5. Bioorg Med Chem Lett, Volume 17 (8), 2007 Bioorg Med Chem Lett 2007 17337182
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Arnold R, Beer D, Bhalay G, Baettig U, Collingwood SP,...
Arnold R, Beer D, Bhalay G, Baettig U, Collingwood SP, Craig S, Devereux N, Dunstan A, Glen A, Gomez S, Haberthuer S, Howe T, Jelfs S, Moser H, Naef R, Nicklin P, Sandham D, Stringer R, Turner K, Watson S, Zurini M.
8-Aryl xanthines potent inhibitors of phosphodiesterase 5. Arnold R, Beer D, Bhalay G, Baettig U, Collingwood SP, Craig S, Devereux N, Dunstan A, Glen A, Gomez S, Haberthuer S, Howe T, Jelfs S, Moser H, Naef R, Nicklin P, Sandham D, Stringer R, Turner K, Watson S, Zurini M.: 8-Aryl xanthines potent inhibitors of phosphodiesterase 5. Bioorg Med Chem Lett, Volume 12 (18), 2002 Bioorg Med Chem Lett 2002 12182866
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Artursson P, Karlsson J.
Artursson P, Karlsson J.
Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal... Artursson P, Karlsson J.: Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem Biophys Res Commun, Volume 175 (3), 880-885, 1991 Biochem Biophys Res Commun 1991 1673839
Total substances: 15
Total passive interactions: 15
Total active interactions: 0
Arunotayanun W, Dalley JW, Huang XP, Setola V, Treble R,...
Arunotayanun W, Dalley JW, Huang XP, Setola V, Treble R, Iversen L, Roth BL, Gibbons S.
An analysis of the synthetic tryptamines AMT and 5-MeO-DALT: emerging 'Novel Psychoactive Drugs'. Arunotayanun W, Dalley JW, Huang XP, Setola V, Treble R, Iversen L, Roth BL, Gibbons S.: An analysis of the synthetic tryptamines AMT and 5-MeO-DALT: emerging 'Novel Psychoactive Drugs'. Bioorg Med Chem Lett, Volume 23 (11), 2013 Bioorg Med Chem Lett 2013 23602445
Total substances: 10
Total passive interactions: 0
Total active interactions: 12
Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T,...
Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.
Identification, synthesis, and biological evaluation of... Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.: Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. J Med Chem, Volume 55 (17), 2012 J Med Chem 2012 22905713
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Asfaw H, Wetzlar T, Martinez-Martinez MS, Imming P.
Asfaw H, Wetzlar T, Martinez-Martinez MS, Imming P.
An efficient synthetic route for preparation of antimycobacterial wollamides and evaluation of their in vitro and in... Asfaw H, Wetzlar T, Martinez-Martinez MS, Imming P.: An efficient synthetic route for preparation of antimycobacterial wollamides and evaluation of their in vitro and in vivo efficacy. Bioorg Med Chem Lett, Volume 28 (17), 2018 Bioorg Med Chem Lett 2018 30031620
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Ashraf-Uz-Zaman M, Sajib MS, Cucullo L, Mikelis CM, German...
Ashraf-Uz-Zaman M, Sajib MS, Cucullo L, Mikelis CM, German NA.
Analogs of penfluridol as chemotherapeutic agents with reduced central nervous system activity. Ashraf-Uz-Zaman M, Sajib MS, Cucullo L, Mikelis CM, German NA.: Analogs of penfluridol as chemotherapeutic agents with reduced central nervous system activity. Bioorg Med Chem Lett, Volume 28 (23-24), 2018 Bioorg Med Chem Lett 2018 30389290
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Atilaw Y, Poongavanam V, Svensson Nilsson C, Nguyen D,...
Atilaw Y, Poongavanam V, Svensson Nilsson C, Nguyen D, Giese A, Meibom D, Erdelyi M, Kihlberg J.
Solution Conformations Shed Light on PROTAC Cell Permeability. Atilaw Y, Poongavanam V, Svensson Nilsson C, Nguyen D, Giese A, Meibom D, Erdelyi M, Kihlberg J.: Solution Conformations Shed Light on PROTAC Cell Permeability. ACS Med Chem Lett, Volume 12 (1), 2021 ACS Med Chem Lett 2021 33488971
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Atkinson KA, Beretta EE, Brown JA, Castrodad M, Chen Y,...
Atkinson KA, Beretta EE, Brown JA, Castrodad M, Chen Y, Cosgrove JM, Du P, Litchfield J, Makowski M, Martin K, McLellan TJ, Neagu C, Perry DA, Piotrowski DW, Steppan CM, Trilles R.
N-benzylimidazole carboxamides as potent, orally active stearoylCoA desaturase-1 inhibitors. Atkinson KA, Beretta EE, Brown JA, Castrodad M, Chen Y, Cosgrove JM, Du P, Litchfield J, Makowski M, Martin K, McLellan TJ, Neagu C, Perry DA, Piotrowski DW, Steppan CM, Trilles R.: N-benzylimidazole carboxamides as potent, orally active stearoylCoA desaturase-1 inhibitors. Bioorg Med Chem Lett, Volume 21 (6), 2011 Bioorg Med Chem Lett 2011 21324691
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Atobe M, Maekawara N, Ishiguro N, Sogame S, Suenaga Y,...
Atobe M, Maekawara N, Ishiguro N, Sogame S, Suenaga Y, Kawanishi M, Suzuki H, Jinno N, Tanaka E, Miyoshi S.
A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors. Atobe M, Maekawara N, Ishiguro N, Sogame S, Suenaga Y, Kawanishi M, Suzuki H, Jinno N, Tanaka E, Miyoshi S.: A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors. Bioorg Med Chem Lett, Volume 23 (7), 2013 Bioorg Med Chem Lett 2013 23453070
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Atobe M, Naganuma K, Kawanishi M, Morimoto A, Kasahara K,...
Atobe M, Naganuma K, Kawanishi M, Morimoto A, Kasahara K, Ohashi S, Suzuki H, Hayashi T, Miyoshi S.
Discovery of 2-(1H-indazol-1-yl)-thiazole derivatives as selective EP(1) receptor antagonists for treatment of... Atobe M, Naganuma K, Kawanishi M, Morimoto A, Kasahara K, Ohashi S, Suzuki H, Hayashi T, Miyoshi S.: Discovery of 2-(1H-indazol-1-yl)-thiazole derivatives as selective EP(1) receptor antagonists for treatment of overactive bladder by core structure replacement. Bioorg Med Chem Lett, Volume 24 (5), 2014 Bioorg Med Chem Lett 2014 24508133
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Atobe M, Naganuma K, Kawanishi M, Morimoto A, Kasahara K,...
Atobe M, Naganuma K, Kawanishi M, Morimoto A, Kasahara K, Ohashi S, Suzuki H, Hayashi T, Miyoshi S.
Hit-to-lead optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as a novel class of EP1 receptor antagonists. Atobe M, Naganuma K, Kawanishi M, Morimoto A, Kasahara K, Ohashi S, Suzuki H, Hayashi T, Miyoshi S.: Hit-to-lead optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as a novel class of EP1 receptor antagonists. Bioorg Med Chem Lett, Volume 23 (22), 2013 Bioorg Med Chem Lett 2013 24094816
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Atobe M, Naganuma K, Kawanishi M, Morimoto A, Kasahara K,...
Atobe M, Naganuma K, Kawanishi M, Morimoto A, Kasahara K, Ohashi S, Suzuki H, Hayashi T, Miyoshi S.
SAR-based optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as highly potent EP1 receptor antagonists. Atobe M, Naganuma K, Kawanishi M, Morimoto A, Kasahara K, Ohashi S, Suzuki H, Hayashi T, Miyoshi S.: SAR-based optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as highly potent EP1 receptor antagonists. Bioorg Med Chem Lett, Volume 23 (24), 2013 Bioorg Med Chem Lett 2013 24252546
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Atwal KS, O'Neil SV, Ahmad S, Doweyko L, Kirby M, Dorso CR,...
Atwal KS, O'Neil SV, Ahmad S, Doweyko L, Kirby M, Dorso CR, Chandrasena G, Chen BC, Zhao R, Zahler R.
Synthesis and biological activity of 5-aryl-4-(4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl)pyrimidine analogs as... Atwal KS, O'Neil SV, Ahmad S, Doweyko L, Kirby M, Dorso CR, Chandrasena G, Chen BC, Zhao R, Zahler R.: Synthesis and biological activity of 5-aryl-4-(4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl)pyrimidine analogs as potent, highly selective, and orally bioavailable NHE-1 inhibitors. Bioorg Med Chem Lett, Volume 16 (18), 2006 Bioorg Med Chem Lett 2006 16870436
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Atwal KS, Rovnyak GC, Kimball SD, Floyd DM, Moreland S,...
Atwal KS, Rovnyak GC, Kimball SD, Floyd DM, Moreland S, Swanson BN, Gougoutas JZ, Schwartz J, Smillie KM, Malley MF.
Dihydropyrimidine calcium channel blockers. 2. 3-substituted-4-aryl-1,4-dihydro-6-methyl-5-pyrimidinecarboxylic acid... Atwal KS, Rovnyak GC, Kimball SD, Floyd DM, Moreland S, Swanson BN, Gougoutas JZ, Schwartz J, Smillie KM, Malley MF.: Dihydropyrimidine calcium channel blockers. 2. 3-substituted-4-aryl-1,4-dihydro-6-methyl-5-pyrimidinecarboxylic acid esters as potent mimics of dihydropyridines. J Med Chem, Volume 33 (9), 1990 J Med Chem 1990 2391701
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
B J Aungst, N H Nguyen, J P Bulgarelli, K Oates-Lenz
B J Aungst, N H Nguyen, J P Bulgarelli, K Oates-Lenz
The influence of donor and reservoir additives on Caco-2 permeability and secretory transport of HIV protease... Aungst BJ, Nguyen NH, Bulgarelli JP, Oates-Lenz K. The influence of donor and reservoir additives on Caco-2 permeability and secretory transport of HIV protease inhibitors and other lipophilic compounds. Pharm Res. 2000 Oct;17(10):1175-80. Pharmaceutical Research 2000 11145221
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Austin RP, Bennion C, Bonnert RV, Cheema L, Cook AR, Cox...
Austin RP, Bennion C, Bonnert RV, Cheema L, Cook AR, Cox RJ, Ebden MR, Gaw A, Grime K, Meghani P, Nicholls D, Phillips C, Smith N, Steele J, Stonehouse JP.
Discovery and evaluation of a novel monocyclic series of CXCR2 antagonists. Austin RP, Bennion C, Bonnert RV, Cheema L, Cook AR, Cox RJ, Ebden MR, Gaw A, Grime K, Meghani P, Nicholls D, Phillips C, Smith N, Steele J, Stonehouse JP.: Discovery and evaluation of a novel monocyclic series of CXCR2 antagonists. Bioorg Med Chem Lett, Volume 25 (7), 2015 Bioorg Med Chem Lett 2015 25708618
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Avdeef A, Box KJ, Comer JE, Hibbert C, Tam KY.
Avdeef A, Box KJ, Comer JE, Hibbert C, Tam KY.
pH-metric logP 10. Determination of liposomal membrane-water partition coefficients of ionizable drugs. Avdeef A, Box KJ, Comer JE, Hibbert C, Tam KY.: pH-metric logP 10. Determination of liposomal membrane-water partition coefficients of ionizable drugs. Pharm Res, Volume 15 (2), 209-215, 1998 Pharm Res 1998 9523305
Total substances: 8
Total passive interactions: 16
Total active interactions: 0
Avdeef A, Tam KY.
Avdeef A, Tam KY.
How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010 J Med Chem 2010 20373811
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Avdeef A, Tsinman O.
Avdeef A, Tsinman O.
PAMPA--a drug absorption in vitro model 13. Chemical selectivity due to membrane hydrogen bonding: in combo comparisons... Avdeef A, Tsinman O.: PAMPA--a drug absorption in vitro model 13. Chemical selectivity due to membrane hydrogen bonding: in combo comparisons of HDM-, DOPC-, and DS-PAMPA models. Eur J Pharm Sci, Volume 28 (1-2), 43-50, 2006 Eur J Pharm Sci 2006 16476536
Total substances: 38
Total passive interactions: 48
Total active interactions: 0
Axford J, Sung MJ, Manchester J, Chin D, Jain M, Shin Y,...
Axford J, Sung MJ, Manchester J, Chin D, Jain M, Shin Y, Dix I, Hamann LG, Cheung AK, Sivasankaran R, Briner K, Dales NA, Hurley B.
Use of Intramolecular 1,5-Sulfur-Oxygen and 1,5-Sulfur-Halogen Interactions in the Design of... Axford J, Sung MJ, Manchester J, Chin D, Jain M, Shin Y, Dix I, Hamann LG, Cheung AK, Sivasankaran R, Briner K, Dales NA, Hurley B.: Use of Intramolecular 1,5-Sulfur-Oxygen and 1,5-Sulfur-Halogen Interactions in the Design of N-Methyl-5-aryl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine SMN2 Splicing Modulators. J Med Chem, Volume 64 (8), 2021 J Med Chem 2021 33822618
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Azimioara M, Alper P, Cow C, Mutnick D, Nikulin V, Lelais...
Azimioara M, Alper P, Cow C, Mutnick D, Nikulin V, Lelais G, Mecom J, McNeill M, Michellys PY, Wang Z, Reding E, Paliotti M, Li J, Bao D, Zoll J, Kim Y, Zimmerman M, Groessl T, Tuntland T, Joseph SB, McNamara P, Seidel HM, Epple R.
Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists. Azimioara M, Alper P, Cow C, Mutnick D, Nikulin V, Lelais G, Mecom J, McNeill M, Michellys PY, Wang Z, Reding E, Paliotti M, Li J, Bao D, Zoll J, Kim Y, Zimmerman M, Groessl T, Tuntland T, Joseph SB, McNamara P, Seidel HM, Epple R.: Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists. Bioorg Med Chem Lett, Volume 24 (23), 2014 Bioorg Med Chem Lett 2014 25455488
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Babbs A, Berg A, Chatzopoulou M, Davies KE, Davies SG,...
Babbs A, Berg A, Chatzopoulou M, Davies KE, Davies SG, Edwards B, Elsey DJ, Emer E, Guiraud S, Harriman S, Lecci C, Moir L, Peters D, Robinson N, Rowley JA, Russell AJ, Squire SE, Tinsley JM, Wilson FX, Wynne GM.
2-Arylbenzo[d]oxazole Phosphinate Esters as Second-Generation Modulators of Utrophin for the Treatment of... Babbs A, Berg A, Chatzopoulou M, Davies KE, Davies SG, Edwards B, Elsey DJ, Emer E, Guiraud S, Harriman S, Lecci C, Moir L, Peters D, Robinson N, Rowley JA, Russell AJ, Squire SE, Tinsley JM, Wilson FX, Wynne GM.: 2-Arylbenzo[d]oxazole Phosphinate Esters as Second-Generation Modulators of Utrophin for the Treatment of Duchenne Muscular Dystrophy. J Med Chem, Volume 63 (14), 2020 J Med Chem 2020 32551645
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Babu E, Takeda M, Narikawa S, Kobayashi Y, Enomoto A, Tojo...
Babu E, Takeda M, Narikawa S, Kobayashi Y, Enomoto A, Tojo A, Cha SH, Sekine T, Sakthisekaran D, Endou H.
Role of human organic anion transporter 4 in the transport of ochratoxin A. Babu E, Takeda M, Narikawa S, Kobayashi Y, Enomoto A, Tojo A, Cha SH, Sekine T, Sakthisekaran D, Endou H.: Role of human organic anion transporter 4 in the transport of ochratoxin A. Biochim Biophys Acta, Volume 1590 (1-3), 2002 Biochim Biophys Acta 2002 12063169
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Babu E, Takeda M, Narikawa S, Kobayashi Y, Yamamoto T, Cha...
Babu E, Takeda M, Narikawa S, Kobayashi Y, Yamamoto T, Cha SH, Sekine T, Sakthisekaran D, Endou H.
Human organic anion transporters mediate the transport of tetracycline. Babu E, Takeda M, Narikawa S, Kobayashi Y, Yamamoto T, Cha SH, Sekine T, Sakthisekaran D, Endou H.: Human organic anion transporters mediate the transport of tetracycline. Jpn J Pharmacol, Volume 88 (1), 2002 Jpn J Pharmacol 2002 11855680
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Bacalum M, Wang L, Boodts S, Yuan P, Leen V, Smisdom N,...
Bacalum M, Wang L, Boodts S, Yuan P, Leen V, Smisdom N, Fron E, Knippenberg S, Fabre G, Trouillas P, Beljonne D, Dehaen W, Boens N, Ameloot M.
A Blue-Light-Emitting BODIPY Probe for Lipid Membranes. Bacalum M, Wang L, Boodts S, Yuan P, Leen V, Smisdom N, Fron E, Knippenberg S, Fabre G, Trouillas P, Beljonne D, Dehaen W, Boens N, Ameloot M.: A Blue-Light-Emitting BODIPY Probe for Lipid Membranes. Langmuir, Volume 32 (14), 3495-3505, 2016 Langmuir 2016 27003513
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Bach J, Eastwood P, González J, Gómez E, Alonso JA,...
Bach J, Eastwood P, González J, Gómez E, Alonso JA, Fonquerna S, Lozoya E, Orellana A, Maldonado M, Calaf E, Albertí J, Pérez J, Andrés A, Prats N, Carreño C, Calama E, De Alba J, Calbet M, Miralpeix M, Ramis I.
Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the... Bach J, Eastwood P, González J, Gómez E, Alonso JA, Fonquerna S, Lozoya E, Orellana A, Maldonado M, Calaf E, Albertí J, Pérez J, Andrés A, Prats N, Carreño C, Calama E, De Alba J, Calbet M, Miralpeix M, Ramis I.: Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases. J Med Chem, Volume 62 (20), 2019 J Med Chem 2019 31609613
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Bach P, Antonsson T, Bylund R, Björkman JA, Österlund K,...
Bach P, Antonsson T, Bylund R, Björkman JA, Österlund K, Giordanetto F, van Giezen JJ, Andersen SM, Zachrisson H, Zetterberg F.
Lead optimization of ethyl 6-aminonicotinate acyl sulfonamides as antagonists of the P2Y12 receptor. separation of the... Bach P, Antonsson T, Bylund R, Björkman JA, Österlund K, Giordanetto F, van Giezen JJ, Andersen SM, Zachrisson H, Zetterberg F.: Lead optimization of ethyl 6-aminonicotinate acyl sulfonamides as antagonists of the P2Y12 receptor. separation of the antithrombotic effect and bleeding for candidate drug AZD1283. J Med Chem, Volume 56 (17), 2013 J Med Chem 2013 23899349
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Bachmakov I, Glaeser H, Fromm MF, König J.
Bachmakov I, Glaeser H, Fromm MF, König J.
Interaction of oral antidiabetic drugs with hepatic uptake transporters: focus on organic anion transporting... Bachmakov I, Glaeser H, Fromm MF, König J.: Interaction of oral antidiabetic drugs with hepatic uptake transporters: focus on organic anion transporting polypeptides and organic cation transporter 1. Diabetes, Volume 57 (6), 2008 Diabetes 2008 18314419
Total substances: 3
Total passive interactions: 0
Total active interactions: 5
Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta...
Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.
Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E.: Calculating Kinetic Rates and Membrane Permeability from Biased Simulations. J Phys Chem B, Volume 122 (49), 11571-11578, 2018 J Phys Chem B 2018 30247032
Total substances: 7
Total passive interactions: 14
Total active interactions: 0
Badolo L, Rasmussen LM, Hansen HR, Sveigaard C.
Badolo L, Rasmussen LM, Hansen HR, Sveigaard C.
Screening of OATP1B1/3 and OCT1 inhibitors in cryopreserved hepatocytes in suspension. Badolo L, Rasmussen LM, Hansen HR, Sveigaard C.: Screening of OATP1B1/3 and OCT1 inhibitors in cryopreserved hepatocytes in suspension. Eur J Pharm Sci, Volume 40 (4), 2010 Eur J Pharm Sci 2010 20381614
Total substances: 11
Total passive interactions: 0
Total active interactions: 21
Bae J, Jeon JE, Lee YJ, Lee HS, Sim CJ, Oh KB, Shin J.
Bae J, Jeon JE, Lee YJ, Lee HS, Sim CJ, Oh KB, Shin J.
Sesterterpenes from the tropical sponge Coscinoderma sp. Bae J, Jeon JE, Lee YJ, Lee HS, Sim CJ, Oh KB, Shin J.: Sesterterpenes from the tropical sponge Coscinoderma sp. J Nat Prod, Volume 74 (8), 2011 J Nat Prod 2011 21827183
Total substances: 5
Total passive interactions: 0
Total active interactions: 20
Bagal SK, Brown AD, Cox PJ, Omoto K, Owen RM, Pryde DC,...
Bagal SK, Brown AD, Cox PJ, Omoto K, Owen RM, Pryde DC, Sidders B, Skerratt SE, Stevens EB, Storer RI, Swain NA.
Ion channels as therapeutic targets: a drug discovery perspective. Bagal SK, Brown AD, Cox PJ, Omoto K, Owen RM, Pryde DC, Sidders B, Skerratt SE, Stevens EB, Storer RI, Swain NA.: Ion channels as therapeutic targets: a drug discovery perspective. J Med Chem, Volume 56 (3), 2013 J Med Chem 2013 23121096
Total substances: 6
Total passive interactions: 0
Total active interactions: 19
Bagal SK, Bungay PJ, Denton SM, Gibson KR, Glossop MS, Hay...
Bagal SK, Bungay PJ, Denton SM, Gibson KR, Glossop MS, Hay TL, Kemp MI, Lane CA, Lewis ML, Maw GN, Million WA, Payne CE, Poinsard C, Rawson DJ, Stammen BL, Stevens EB, Thompson LR.
Discovery and Optimization of Selective Nav1.8 Modulator Series That Demonstrate Efficacy in Preclinical Models of Pain. Bagal SK, Bungay PJ, Denton SM, Gibson KR, Glossop MS, Hay TL, Kemp MI, Lane CA, Lewis ML, Maw GN, Million WA, Payne CE, Poinsard C, Rawson DJ, Stammen BL, Stevens EB, Thompson LR.: Discovery and Optimization of Selective Nav1.8 Modulator Series That Demonstrate Efficacy in Preclinical Models of Pain. ACS Med Chem Lett, Volume 6 (6), 2015 ACS Med Chem Lett 2015 26101568
Total substances: 1
Total passive interactions: 0
Total active interactions: 4
Bagal SK, Gregson C, O' Donovan DH, Pike KG, Bloecher A,...
Bagal SK, Gregson C, O' Donovan DH, Pike KG, Bloecher A, Barton P, Borodovsky A, Code E, Fillery SM, Hsu JH, Kawatkar SP, Li C, Longmire D, Nai Y, Nash SC, Pike A, Robinson J, Read JA, Rawlins PB, Shen M, Tang J, Wang P, Woods H, Williamson B.
Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2... Bagal SK, Gregson C, O' Donovan DH, Pike KG, Bloecher A, Barton P, Borodovsky A, Code E, Fillery SM, Hsu JH, Kawatkar SP, Li C, Longmire D, Nai Y, Nash SC, Pike A, Robinson J, Read JA, Rawlins PB, Shen M, Tang J, Wang P, Woods H, Williamson B.: Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase. J Med Chem, Volume 64 (23), 2021 J Med Chem 2021 34807608
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Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q,...
Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.
Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009 J Med Chem 2009 19489538
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Bai J, Lai L, Yeo HC, Goh BC, Tan TM.
Bai J, Lai L, Yeo HC, Goh BC, Tan TM.
Multidrug resistance protein 4 (MRP4/ABCC4) mediates efflux of bimane-glutathione. Bai J, Lai L, Yeo HC, Goh BC, Tan TM.: Multidrug resistance protein 4 (MRP4/ABCC4) mediates efflux of bimane-glutathione. Int J Biochem Cell Biol, Volume 36 (2), 2004 Int J Biochem Cell Biol 2004 14643890
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C,...
Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.
Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019 Eur J Med Chem 2019 31581002
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Baiceanu E, Nguyen KA, Gonzalez-Lobato L, Nasr R,...
Baiceanu E, Nguyen KA, Gonzalez-Lobato L, Nasr R, Baubichon-Cortay H, Loghin F, Le Borgne M, Chow L, Boumendjel A, Peuchmaur M, Falson P.
2-Indolylmethylenebenzofuranones as first effective inhibitors of ABCC2. Baiceanu E, Nguyen KA, Gonzalez-Lobato L, Nasr R, Baubichon-Cortay H, Loghin F, Le Borgne M, Chow L, Boumendjel A, Peuchmaur M, Falson P.: 2-Indolylmethylenebenzofuranones as first effective inhibitors of ABCC2. Eur J Med Chem, Volume 122, 2016 Eur J Med Chem 2016 27393949
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Bailey MD, Bordeleau J, Garneau M, Leblanc M, Lemke CT,...
Bailey MD, Bordeleau J, Garneau M, Leblanc M, Lemke CT, O'Meara J, White PW, Llinàs-Brunet M.
Peptide backbone replacement of hepatitis C virus NS3 serine protease C-terminal cleavage product analogs: discovery of... Bailey MD, Bordeleau J, Garneau M, Leblanc M, Lemke CT, O'Meara J, White PW, Llinàs-Brunet M.: Peptide backbone replacement of hepatitis C virus NS3 serine protease C-terminal cleavage product analogs: discovery of potent succinamide inhibitors. Bioorg Med Chem Lett, Volume 23 (15), 2013 Bioorg Med Chem Lett 2013 23773863
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Bailey MD, Halmos T, Lemke CT.
Bailey MD, Halmos T, Lemke CT.
Discovery of novel P2 substituted 4-biaryl proline inhibitors of hepatitis C virus NS3 serine protease. Bailey MD, Halmos T, Lemke CT.: Discovery of novel P2 substituted 4-biaryl proline inhibitors of hepatitis C virus NS3 serine protease. Bioorg Med Chem Lett, Volume 23 (15), 2013 Bioorg Med Chem Lett 2013 23773864
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Bakhiya A, Bahn A, Burckhardt G, Wolff N.
Bakhiya A, Bahn A, Burckhardt G, Wolff N.
Human organic anion transporter 3 (hOAT3) can operate as an exchanger and mediate secretory urate flux. Bakhiya A, Bahn A, Burckhardt G, Wolff N.: Human organic anion transporter 3 (hOAT3) can operate as an exchanger and mediate secretory urate flux. Cell Physiol Biochem, Volume 13 (5), 2003 Cell Physiol Biochem 2003 14586168
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Baladi MG, Forster MJ, Gatch MB, Mailman RB, Hyman DL,...
Baladi MG, Forster MJ, Gatch MB, Mailman RB, Hyman DL, Carter LP, Janowsky A.
Characterization of the Neurochemical and Behavioral Effects of Solriamfetol (JZP-110), a Selective Dopamine and... Baladi MG, Forster MJ, Gatch MB, Mailman RB, Hyman DL, Carter LP, Janowsky A.: Characterization of the Neurochemical and Behavioral Effects of Solriamfetol (JZP-110), a Selective Dopamine and Norepinephrine Reuptake Inhibitor. J Pharmacol Exp Ther, Volume 366 (2), 2018 J Pharmacol Exp Ther 2018 29891587
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Baldes C, Koenig P, Neumann D, Lenhof HP, Kohlbacher O,...
Baldes C, Koenig P, Neumann D, Lenhof HP, Kohlbacher O, Lehr CM.
Development of a fluorescence-based assay for screening of modulators of human organic anion transporter 1B3 (OATP1B3). Baldes C, Koenig P, Neumann D, Lenhof HP, Kohlbacher O, Lehr CM.: Development of a fluorescence-based assay for screening of modulators of human organic anion transporter 1B3 (OATP1B3). Eur J Pharm Biopharm, Volume 62 (1), 2006 Eur J Pharm Biopharm 2006 16129589
Total substances: 7
Total passive interactions: 0
Total active interactions: 7
Baldwin JJ, Claremon DA, Lumma PK, McClure DE, Rosenthal...
Baldwin JJ, Claremon DA, Lumma PK, McClure DE, Rosenthal SA, Winquist RJ, Faison EP, Kaczorowski GJ, Trumble MJ, Smith GM.
Diethyl 3,6-dihydro-2,4-dimethyl-2,6-methano-1,3-benzothiazocine-5,11- dicarboxylates as calcium entry antagonists: new... Baldwin JJ, Claremon DA, Lumma PK, McClure DE, Rosenthal SA, Winquist RJ, Faison EP, Kaczorowski GJ, Trumble MJ, Smith GM.: Diethyl 3,6-dihydro-2,4-dimethyl-2,6-methano-1,3-benzothiazocine-5,11- dicarboxylates as calcium entry antagonists: new conformationally restrained analogues of Hantzsch 1,4-dihydropyridines related to nitrendipine as probes for receptor-site conformation. J Med Chem, Volume 30 (4), 1987 J Med Chem 1987 2435904
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Bali U, Barba O, Dawson G, Gattrell WT, Horswill JG, Pan...
Bali U, Barba O, Dawson G, Gattrell WT, Horswill JG, Pan DA, Procter MJ, Rasamison CM, Sambrook Smith CP, Taylor-Warne A, Wong-Kai-In P.
Design and synthesis of potent carboxylic acid DGAT1 inhibitors with high cell permeability. Bali U, Barba O, Dawson G, Gattrell WT, Horswill JG, Pan DA, Procter MJ, Rasamison CM, Sambrook Smith CP, Taylor-Warne A, Wong-Kai-In P.: Design and synthesis of potent carboxylic acid DGAT1 inhibitors with high cell permeability. Bioorg Med Chem Lett, Volume 22 (2), 2012 Bioorg Med Chem Lett 2012 22217874
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Balimane PV, Pace E, Chong S, Zhu M, Jemal M, Pelt CK.
Balimane PV, Pace E, Chong S, Zhu M, Jemal M, Pelt CK.
A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample... Balimane PV, Pace E, Chong S, Zhu M, Jemal M, Pelt CK.: A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. J Pharm Biomed Anal, Volume 39 (1-2), 8-16, 2005 J Pharm Biomed Anal 2005 15978768
Total substances: 8
Total passive interactions: 8
Total active interactions: 0
Balimane PV, Tamai I, Guo A, Nakanishi T, Kitada H, Leibach...
Balimane PV, Tamai I, Guo A, Nakanishi T, Kitada H, Leibach FH, Tsuji A, Sinko PJ.
Direct evidence for peptide transporter (PepT1)-mediated uptake of a nonpeptide prodrug, valacyclovir. Balimane PV, Tamai I, Guo A, Nakanishi T, Kitada H, Leibach FH, Tsuji A, Sinko PJ.: Direct evidence for peptide transporter (PepT1)-mediated uptake of a nonpeptide prodrug, valacyclovir. Biochem Biophys Res Commun, Volume 250 (2), 1998 Biochem Biophys Res Commun 1998 9753615
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ,...
Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.
Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007 Bioorg Med Chem Lett 2007 17485207
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Banala AK, Zhang P, Plenge P, Cyriac G, Kopajtic T, Katz...
Banala AK, Zhang P, Plenge P, Cyriac G, Kopajtic T, Katz JL, Loland CJ, Newman AH.
Design and synthesis of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile... Banala AK, Zhang P, Plenge P, Cyriac G, Kopajtic T, Katz JL, Loland CJ, Newman AH.: Design and synthesis of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile (citalopram) analogues as novel probes for the serotonin transporter S1 and S2 binding sites. J Med Chem, Volume 56 (23), 2013 J Med Chem 2013 24237160
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Banister SD, Rendina LM, Kassiou M.
Banister SD, Rendina LM, Kassiou M.
7-Azabicyclo[2.2.1]heptane as a scaffold for the development of selective sigma-2 (σ2) receptor ligands. Banister SD, Rendina LM, Kassiou M.: 7-Azabicyclo[2.2.1]heptane as a scaffold for the development of selective sigma-2 (σ2) receptor ligands. Bioorg Med Chem Lett, Volume 22 (12), 2012 Bioorg Med Chem Lett 2012 22607684
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Bannwart LM, Carter DS, Cai HY, Choy JC, Greenhouse R,...
Bannwart LM, Carter DS, Cai HY, Choy JC, Greenhouse R, Jaime-Figueroa S, Iyer PS, Lin CJ, Lee EK, Lucas MC, Lynch SM, Madera AM, Moore A, Ozboya K, Raptova L, Roetz R, Schoenfeld RC, Stein KA, Steiner S, Villa M, Weikert RJ, Zhai Y.
Novel 3,3-disubstituted pyrrolidines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors. Bannwart LM, Carter DS, Cai HY, Choy JC, Greenhouse R, Jaime-Figueroa S, Iyer PS, Lin CJ, Lee EK, Lucas MC, Lynch SM, Madera AM, Moore A, Ozboya K, Raptova L, Roetz R, Schoenfeld RC, Stein KA, Steiner S, Villa M, Weikert RJ, Zhai Y.: Novel 3,3-disubstituted pyrrolidines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (23), 2008 Bioorg Med Chem Lett 2008 18954985
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Bao Q, Zhang L, Wang N, Gabet B, Yang W, Gao X, You Q,...
Bao Q, Zhang L, Wang N, Gabet B, Yang W, Gao X, You Q, Jiang Z.
Hydrogen Peroxide Inducible JAK3 Covalent Inhibitor: Prodrug for the Treatment of RA with Enhanced Safety Profile. Bao Q, Zhang L, Wang N, Gabet B, Yang W, Gao X, You Q, Jiang Z.: Hydrogen Peroxide Inducible JAK3 Covalent Inhibitor: Prodrug for the Treatment of RA with Enhanced Safety Profile. ACS Med Chem Lett, Volume 11 (11), 2020 ACS Med Chem Lett 2020 33214827
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Bar-On Z, Degani H.
Bar-On Z, Degani H.
Permeability of alkylamines across phosphatidylcholine vesicles as studied by 1H-NMR. Bar-On Z, Degani H.: Permeability of alkylamines across phosphatidylcholine vesicles as studied by 1H-NMR. Biochim Biophys Acta, Volume 813 (2), 1985 Biochim Biophys Acta 1985 3918566
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Baragaña B, Norcross NR, Wilson C, Porzelle A, Hallyburton...
Baragaña B, Norcross NR, Wilson C, Porzelle A, Hallyburton I, Grimaldi R, Osuna-Cabello M, Norval S, Riley J, Stojanovski L, Simeons FR, Wyatt PG, Delves MJ, Meister S, Duffy S, Avery VM, Winzeler EA, Sinden RE, Wittlin S, Frearson JA, Gray DW, Fairlamb AH, Waterson D, Campbell SF, Willis P, Read KD, Gilbert IH.
Discovery of a Quinoline-4-carboxamide Derivative with a Novel Mechanism of Action, Multistage Antimalarial Activity,... Baragaña B, Norcross NR, Wilson C, Porzelle A, Hallyburton I, Grimaldi R, Osuna-Cabello M, Norval S, Riley J, Stojanovski L, Simeons FR, Wyatt PG, Delves MJ, Meister S, Duffy S, Avery VM, Winzeler EA, Sinden RE, Wittlin S, Frearson JA, Gray DW, Fairlamb AH, Waterson D, Campbell SF, Willis P, Read KD, Gilbert IH.: Discovery of a Quinoline-4-carboxamide Derivative with a Novel Mechanism of Action, Multistage Antimalarial Activity, and Potent in Vivo Efficacy. J Med Chem, Volume 59 (21), 2016 J Med Chem 2016 27631715
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Barber CG, Blakemore DC, Chiva JY, Eastwood RL, Middleton...
Barber CG, Blakemore DC, Chiva JY, Eastwood RL, Middleton DS, Paradowski KA.
1-Amido-1-phenyl-3-piperidinylbutanes--CCR5 antagonists for the treatment of HIV: part 2. Barber CG, Blakemore DC, Chiva JY, Eastwood RL, Middleton DS, Paradowski KA.: 1-Amido-1-phenyl-3-piperidinylbutanes--CCR5 antagonists for the treatment of HIV: part 2. Bioorg Med Chem Lett, Volume 19 (5), 2009 Bioorg Med Chem Lett 2009 19185490
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Bardiot D, Thevissen K, De Brucker K, Peeters A, Cos P,...
Bardiot D, Thevissen K, De Brucker K, Peeters A, Cos P, Taborda CP, McNaughton M, Maes L, Chaltin P, Cammue BP, Marchand A.
2-(2-oxo-morpholin-3-yl)-acetamide derivatives as broad-spectrum antifungal agents. Bardiot D, Thevissen K, De Brucker K, Peeters A, Cos P, Taborda CP, McNaughton M, Maes L, Chaltin P, Cammue BP, Marchand A.: 2-(2-oxo-morpholin-3-yl)-acetamide derivatives as broad-spectrum antifungal agents. J Med Chem, Volume 58 (3), 2015 J Med Chem 2015 25585716
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Barf T, Kaptein A, de Wilde S, van der Heijden R, van...
Barf T, Kaptein A, de Wilde S, van der Heijden R, van Someren R, Demont D, Schultz-Fademrecht C, Versteegh J, van Zeeland M, Seegers N, Kazemier B, van de Kar B, van Hoek M, de Roos J, Klop H, Smeets R, Hofstra C, Hornberg J, Oubrie A.
Structure-based lead identification of ATP-competitive MK2 inhibitors. Barf T, Kaptein A, de Wilde S, van der Heijden R, van Someren R, Demont D, Schultz-Fademrecht C, Versteegh J, van Zeeland M, Seegers N, Kazemier B, van de Kar B, van Hoek M, de Roos J, Klop H, Smeets R, Hofstra C, Hornberg J, Oubrie A.: Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg Med Chem Lett, Volume 21 (12), 2011 Bioorg Med Chem Lett 2011 21565500
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Barilli A, Aldegheri L, Bianchi F, Brault L, Brodbeck D,...
Barilli A, Aldegheri L, Bianchi F, Brault L, Brodbeck D, Castelletti L, Feriani A, Lingard I, Myers R, Nola S, Piccoli L, Pompilio D, Raveglia LF, Salvagno C, Tassini S, Virginio C, Sabat M.
From High-Throughput Screening to Target Validation: Benzo[d]isothiazoles as Potent and Selective Agonists of... Barilli A, Aldegheri L, Bianchi F, Brault L, Brodbeck D, Castelletti L, Feriani A, Lingard I, Myers R, Nola S, Piccoli L, Pompilio D, Raveglia LF, Salvagno C, Tassini S, Virginio C, Sabat M.: From High-Throughput Screening to Target Validation: Benzo[d]isothiazoles as Potent and Selective Agonists of Human Transient Receptor Potential Cation Channel Subfamily M Member 5 Possessing In Vivo Gastrointestinal Prokinetic Activity in Rodents. J Med Chem, Volume 64 (9), 2021 J Med Chem 2021 33890770
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Barker MD, Liddle J, Atkinson FL, Wilson DM, Dickson MC,...
Barker MD, Liddle J, Atkinson FL, Wilson DM, Dickson MC, Ramirez-Molina C, Lewis H, Davis RP, Somers DO, Neu M, Jones E, Watson R.
Discovery of potent and selective Spleen Tyrosine Kinase inhibitors for the topical treatment of inflammatory skin... Barker MD, Liddle J, Atkinson FL, Wilson DM, Dickson MC, Ramirez-Molina C, Lewis H, Davis RP, Somers DO, Neu M, Jones E, Watson R.: Discovery of potent and selective Spleen Tyrosine Kinase inhibitors for the topical treatment of inflammatory skin disease. Bioorg Med Chem Lett, Volume 28 (21), 2018 Bioorg Med Chem Lett 2018 30249354
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Barker RH, Liu H, Hirth B, Celatka CA, Fitzpatrick R, Xiang...
Barker RH, Liu H, Hirth B, Celatka CA, Fitzpatrick R, Xiang Y, Willert EK, Phillips MA, Kaiser M, Bacchi CJ, Rodriguez A, Yarlett N, Klinger JD, Sybertz E.
Novel S-adenosylmethionine decarboxylase inhibitors for the treatment of human African trypanosomiasis. Barker RH, Liu H, Hirth B, Celatka CA, Fitzpatrick R, Xiang Y, Willert EK, Phillips MA, Kaiser M, Bacchi CJ, Rodriguez A, Yarlett N, Klinger JD, Sybertz E.: Novel S-adenosylmethionine decarboxylase inhibitors for the treatment of human African trypanosomiasis. Antimicrob Agents Chemother, Volume 53 (5), 2009 Antimicrob Agents Chemother 2009 19289530
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Barlaam B, Acton DG, Ballard P, Bradbury RH, Cross D,...
Barlaam B, Acton DG, Ballard P, Bradbury RH, Cross D, Ducray R, Germain H, Hudson K, Klinowska T, Magnien F, Ogilvie DJ, Olivier A, Ross HS, Smith R, Trigwell CB, Vautier M, Wright L.
Neutral 5-substituted 4-indazolylaminoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine... Barlaam B, Acton DG, Ballard P, Bradbury RH, Cross D, Ducray R, Germain H, Hudson K, Klinowska T, Magnien F, Ogilvie DJ, Olivier A, Ross HS, Smith R, Trigwell CB, Vautier M, Wright L.: Neutral 5-substituted 4-indazolylaminoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine kinase. Bioorg Med Chem Lett, Volume 18 (6), 2008 Bioorg Med Chem Lett 2008 18313293
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Barlaam B, Anderton J, Ballard P, Bradbury RH, Hennequin...
Barlaam B, Anderton J, Ballard P, Bradbury RH, Hennequin LF, Hickinson DM, Kettle JG, Kirk G, Klinowska T, Lambert-van der Brempt C, Trigwell C, Vincent J, Ogilvie D.
Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. Barlaam B, Anderton J, Ballard P, Bradbury RH, Hennequin LF, Hickinson DM, Kettle JG, Kirk G, Klinowska T, Lambert-van der Brempt C, Trigwell C, Vincent J, Ogilvie D.: Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors. ACS Med Chem Lett, Volume 4 (8), 2013 ACS Med Chem Lett 2013 24900741
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Barlaam B, Boiko S, Boyd S, Dry H, Gingipalli L, Ikeda T,...
Barlaam B, Boiko S, Boyd S, Dry H, Gingipalli L, Ikeda T, Johnson T, Kawatkar S, Lorthioir O, Pike A, Pollard H, Read J, Su Q, Wang H, Wang H, Wang L, Wang P, Edmondson SD.
Novel potent and selective pyrazolylpyrimidine-based SYK inhibitors. Barlaam B, Boiko S, Boyd S, Dry H, Gingipalli L, Ikeda T, Johnson T, Kawatkar S, Lorthioir O, Pike A, Pollard H, Read J, Su Q, Wang H, Wang H, Wang L, Wang P, Edmondson SD.: Novel potent and selective pyrazolylpyrimidine-based SYK inhibitors. Bioorg Med Chem Lett, Volume 30 (22), 2020 Bioorg Med Chem Lett 2020 32877741
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Barlaam B, Cadogan E, Campbell A, Colclough N, Dishington...
Barlaam B, Cadogan E, Campbell A, Colclough N, Dishington A, Durant S, Goldberg K, Hassall LA, Hughes GD, MacFaul PA, McGuire TM, Pass M, Patel A, Pearson S, Petersen J, Pike KG, Robb G, Stratton N, Xin G, Zhai B.
Discovery of a Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent, and Selective ATM Inhibitors. Barlaam B, Cadogan E, Campbell A, Colclough N, Dishington A, Durant S, Goldberg K, Hassall LA, Hughes GD, MacFaul PA, McGuire TM, Pass M, Patel A, Pearson S, Petersen J, Pike KG, Robb G, Stratton N, Xin G, Zhai B.: Discovery of a Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent, and Selective ATM Inhibitors. ACS Med Chem Lett, Volume 9 (8), 2018 ACS Med Chem Lett 2018 30128072
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Barlaam B, Cosulich S, Degorce S, Fitzek M, Giordanetto F,...
Barlaam B, Cosulich S, Degorce S, Fitzek M, Giordanetto F, Green S, Inghardt T, Hennequin L, Hancox U, Lambert-van der Brempt C, Morgentin R, Pass S, Plé P, Saleh T, Ward L.
Discovery of 9-(1-anilinoethyl)-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxamides as PI3Kβ/δ inhibitors for... Barlaam B, Cosulich S, Degorce S, Fitzek M, Giordanetto F, Green S, Inghardt T, Hennequin L, Hancox U, Lambert-van der Brempt C, Morgentin R, Pass S, Plé P, Saleh T, Ward L.: Discovery of 9-(1-anilinoethyl)-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxamides as PI3Kβ/δ inhibitors for the treatment of PTEN-deficient tumours. Bioorg Med Chem Lett, Volume 24 (16), 2014 Bioorg Med Chem Lett 2014 24992874
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Barlaam B, Cosulich S, Degorce S, Fitzek M, Green S, Hancox...
Barlaam B, Cosulich S, Degorce S, Fitzek M, Green S, Hancox U, Lambert-van der Brempt C, Lohmann JJ, Maudet M, Morgentin R, Pasquet MJ, Péru A, Plé P, Saleh T, Vautier M, Walker M, Ward L, Warin N.
Discovery of (R)-8-(1-(3,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide... Barlaam B, Cosulich S, Degorce S, Fitzek M, Green S, Hancox U, Lambert-van der Brempt C, Lohmann JJ, Maudet M, Morgentin R, Pasquet MJ, Péru A, Plé P, Saleh T, Vautier M, Walker M, Ward L, Warin N.: Discovery of (R)-8-(1-(3,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide (AZD8186): a potent and selective inhibitor of PI3Kβ and PI3Kδ for the treatment of PTEN-deficient cancers. J Med Chem, Volume 58 (2), 2015 J Med Chem 2015 25514658
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Barlaam B, Cosulich S, Degorce S, Fitzek M, Green S, Hancox...
Barlaam B, Cosulich S, Degorce S, Fitzek M, Green S, Hancox U, Lambert-van der Brempt C, Lohmann JJ, Maudet M, Morgentin R, Péru A, Plé P, Saleh T, Ward L, Warin N.
Discovery of a series of 8-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-morpholino-4-oxo-chromene-6-carboxamides as... Barlaam B, Cosulich S, Degorce S, Fitzek M, Green S, Hancox U, Lambert-van der Brempt C, Lohmann JJ, Maudet M, Morgentin R, Péru A, Plé P, Saleh T, Ward L, Warin N.: Discovery of a series of 8-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-morpholino-4-oxo-chromene-6-carboxamides as PI3Kβ/δ inhibitors for the treatment of PTEN-deficient tumours. Bioorg Med Chem Lett, Volume 26 (9), 2016 Bioorg Med Chem Lett 2016 26996374
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Barlaam B, Cosulich S, Fitzek M, Germain H, Green S, Hanson...
Barlaam B, Cosulich S, Fitzek M, Germain H, Green S, Hanson LL, Harris CS, Hancox U, Hudson K, Lambert-van der Brempt C, Lamorlette M, Magnien F, Ouvry G, Page K, Ruston L, Ward L, Delouvrié B.
Discovery of a novel aminopyrazine series as selective PI3Kα inhibitors. Barlaam B, Cosulich S, Fitzek M, Germain H, Green S, Hanson LL, Harris CS, Hancox U, Hudson K, Lambert-van der Brempt C, Lamorlette M, Magnien F, Ouvry G, Page K, Ruston L, Ward L, Delouvrié B.: Discovery of a novel aminopyrazine series as selective PI3Kα inhibitors. Bioorg Med Chem Lett, Volume 27 (13), 2017 Bioorg Med Chem Lett 2017 28526367
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Barlind JG, Bauer UA, Birch AM, Birtles S, Buckett LK,...
Barlind JG, Bauer UA, Birch AM, Birtles S, Buckett LK, Butlin RJ, Davies RD, Eriksson JW, Hammond CD, Hovland R, Johannesson P, Johansson MJ, Kemmitt PD, Lindmark BT, Morentin Gutierrez P, Noeske TA, Nordin A, O'Donnell CJ, Petersson AU, Redzic A, Turnbull AV, Vinblad J.
Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to... Barlind JG, Bauer UA, Birch AM, Birtles S, Buckett LK, Butlin RJ, Davies RD, Eriksson JW, Hammond CD, Hovland R, Johannesson P, Johansson MJ, Kemmitt PD, Lindmark BT, Morentin Gutierrez P, Noeske TA, Nordin A, O'Donnell CJ, Petersson AU, Redzic A, Turnbull AV, Vinblad J.: Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to a clinical candidate dimethylpyrazinecarboxamide phenylcyclohexylacetic acid (AZD7687). J Med Chem, Volume 55 (23), 2012 J Med Chem 2012 23116186
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Barlind JG, Buckett LK, Crosby SG, Davidsson Ö, Emtenäs...
Barlind JG, Buckett LK, Crosby SG, Davidsson Ö, Emtenäs H, Ertan A, Jurva U, Lemurell M, Gutierrez PM, Nilsson K, O'Mahony G, Petersson AU, Redzic A, Wågberg F, Yuan ZQ.
Identification and design of a novel series of MGAT2 inhibitors. Barlind JG, Buckett LK, Crosby SG, Davidsson Ö, Emtenäs H, Ertan A, Jurva U, Lemurell M, Gutierrez PM, Nilsson K, O'Mahony G, Petersson AU, Redzic A, Wågberg F, Yuan ZQ.: Identification and design of a novel series of MGAT2 inhibitors. Bioorg Med Chem Lett, Volume 23 (9), 2013 Bioorg Med Chem Lett 2013 23541669
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Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep...
Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.
Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015 Bioorg Med Chem 2015 25740634
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Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST,...
Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.
Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 16 (6), 2006 Bioorg Med Chem Lett 2006 16376075
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Barrett DG, Catalano JG, Deaton DN, Long ST, McFadyen RB,...
Barrett DG, Catalano JG, Deaton DN, Long ST, McFadyen RB, Miller AB, Miller LR, Samano V, Tavares FX, Wells-Knecht KJ, Wright LL, Zhou HQ.
Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Barrett DG, Catalano JG, Deaton DN, Long ST, McFadyen RB, Miller AB, Miller LR, Samano V, Tavares FX, Wells-Knecht KJ, Wright LL, Zhou HQ.: Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007 Bioorg Med Chem Lett 2007 17157021
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Barrett SD, Bridges AJ, Dudley DT, Saltiel AR, Fergus JH,...
Barrett SD, Bridges AJ, Dudley DT, Saltiel AR, Fergus JH, Flamme CM, Delaney AM, Kaufman M, LePage S, Leopold WR, Przybranowski SA, Sebolt-Leopold J, Van Becelaere K, Doherty AM, Kennedy RM, Marston D, Howard WA, Smith Y, Warmus JS, Tecle H.
The discovery of the benzhydroxamate MEK inhibitors CI-1040 and PD 0325901. Barrett SD, Bridges AJ, Dudley DT, Saltiel AR, Fergus JH, Flamme CM, Delaney AM, Kaufman M, LePage S, Leopold WR, Przybranowski SA, Sebolt-Leopold J, Van Becelaere K, Doherty AM, Kennedy RM, Marston D, Howard WA, Smith Y, Warmus JS, Tecle H.: The discovery of the benzhydroxamate MEK inhibitors CI-1040 and PD 0325901. Bioorg Med Chem Lett, Volume 18 (24), 2008 Bioorg Med Chem Lett 2008 18952427
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Barrett SD, Holt MC, Kramer JB, Germain B, Ho CS, Ciske FL,...
Barrett SD, Holt MC, Kramer JB, Germain B, Ho CS, Ciske FL, Kornilov A, Colombo JM, Uzieblo A, O'Malley JP, Owen TA, Stein AJ, Morano MI.
Difluoromethylene at the γ-Lactam α-Position Improves 11-Deoxy-8-aza-PGE1 Series EP4 Receptor... Barrett SD, Holt MC, Kramer JB, Germain B, Ho CS, Ciske FL, Kornilov A, Colombo JM, Uzieblo A, O'Malley JP, Owen TA, Stein AJ, Morano MI.: Difluoromethylene at the γ-Lactam α-Position Improves 11-Deoxy-8-aza-PGE1 Series EP4 Receptor Binding and Activity: 11-Deoxy-10,10-difluoro-8-aza-PGE1 Analog (KMN-159) as a Potent EP4 Agonist. J Med Chem, Volume 62 (9), 2019 J Med Chem 2019 30964292
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Barsanti PA, Aversa RJ, Jin X, Pan Y, Lu Y, Elling R, Jain...
Barsanti PA, Aversa RJ, Jin X, Pan Y, Lu Y, Elling R, Jain R, Knapp M, Lan J, Lin X, Rudewicz P, Sim J, Taricani L, Thomas G, Xiao L, Yue Q.
Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. Barsanti PA, Aversa RJ, Jin X, Pan Y, Lu Y, Elling R, Jain R, Knapp M, Lan J, Lin X, Rudewicz P, Sim J, Taricani L, Thomas G, Xiao L, Yue Q.: Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. ACS Med Chem Lett, Volume 6 (1), 2015 ACS Med Chem Lett 2015 25589927
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Barsanti PA, Pan Y, Lu Y, Jain R, Cox M, Aversa RJ, Dillon...
Barsanti PA, Pan Y, Lu Y, Jain R, Cox M, Aversa RJ, Dillon MP, Elling R, Hu C, Jin X, Knapp M, Lan J, Ramurthy S, Rudewicz P, Setti L, Subramanian S, Mathur M, Taricani L, Thomas G, Xiao L, Yue Q.
Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors. Barsanti PA, Pan Y, Lu Y, Jain R, Cox M, Aversa RJ, Dillon MP, Elling R, Hu C, Jin X, Knapp M, Lan J, Ramurthy S, Rudewicz P, Setti L, Subramanian S, Mathur M, Taricani L, Thomas G, Xiao L, Yue Q.: Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors. ACS Med Chem Lett, Volume 6 (1), 2015 ACS Med Chem Lett 2015 25589928
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Barth M, Bondoux M, Luccarini JM, Peyrou V, Dodey P,...
Barth M, Bondoux M, Luccarini JM, Peyrou V, Dodey P, Pruneau D, Massardier C, Paquet JL.
From bradykinin B2 receptor antagonists to orally active and selective bradykinin B1 receptor antagonists. Barth M, Bondoux M, Luccarini JM, Peyrou V, Dodey P, Pruneau D, Massardier C, Paquet JL.: From bradykinin B2 receptor antagonists to orally active and selective bradykinin B1 receptor antagonists. J Med Chem, Volume 55 (6), 2012 J Med Chem 2012 22369198
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Bartolozzi A, Cirillo PF, Berry AK, Hickey ER, Thomson DS,...
Bartolozzi A, Cirillo PF, Berry AK, Hickey ER, Thomson DS, Wu L, Zindell R, Albrecht C, Ceci A, Gemkow MJ, Nagaraja NV, Romig H, Sauer A, Riether D.
Selective CB2 receptor agonists. Part 3: the optimization of a piperidine-based series that demonstrated efficacy in an... Bartolozzi A, Cirillo PF, Berry AK, Hickey ER, Thomson DS, Wu L, Zindell R, Albrecht C, Ceci A, Gemkow MJ, Nagaraja NV, Romig H, Sauer A, Riether D.: Selective CB2 receptor agonists. Part 3: the optimization of a piperidine-based series that demonstrated efficacy in an in vivo neuropathic pain model. Bioorg Med Chem Lett, Volume 25 (3), 2015 Bioorg Med Chem Lett 2015 25575658
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Barucha-Kraszewska J, Kraszewski S, Jurkiewicz P, Ramseyer...
Barucha-Kraszewska J, Kraszewski S, Jurkiewicz P, Ramseyer C, Hof M.
Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states. Barucha-Kraszewska J, Kraszewski S, Jurkiewicz P, Ramseyer C, Hof M.: Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states. Biochim Biophys Acta, Volume 1798 (9), 1724-1734, 2010 Biochim Biophys Acta 2010 20510669
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N....
Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.
Potentiometric determination of octanol–water and liposome–water partition coefficients (log P) of ionizable... Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A., Kraft A.: Potentiometric determination of octanol-water and liposome-water partition coefficients (logP) of ionizable organic compounds. Tetrahedron Lett., 48, 3337-3341, 2007. Tetrahedron Lett. 2007 10.1016/j.tetle...
Total substances: 5
Total passive interactions: 10
Total active interactions: 0
Basarab GS, Hill PJ, Garner CE, Hull K, Green O, Sherer BA,...
Basarab GS, Hill PJ, Garner CE, Hull K, Green O, Sherer BA, Dangel PB, Manchester JI, Bist S, Hauck S, Zhou F, Uria-Nickelsen M, Illingworth R, Alm R, Rooney M, Eakin AE.
Optimization of pyrrolamide topoisomerase II inhibitors toward identification of an antibacterial clinical candidate... Basarab GS, Hill PJ, Garner CE, Hull K, Green O, Sherer BA, Dangel PB, Manchester JI, Bist S, Hauck S, Zhou F, Uria-Nickelsen M, Illingworth R, Alm R, Rooney M, Eakin AE.: Optimization of pyrrolamide topoisomerase II inhibitors toward identification of an antibacterial clinical candidate (AZD5099). J Med Chem, Volume 57 (14), 2014 J Med Chem 2014 24959892
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Total active interactions: 1
Bass JY, Caravella JA, Chen L, Creech KL, Deaton DN,...
Bass JY, Caravella JA, Chen L, Creech KL, Deaton DN, Madauss KP, Marr HB, McFadyen RB, Miller AB, Mills WY, Navas F, Parks DJ, Smalley TL, Spearing PK, Todd D, Williams SP, Wisely GB.
Conformationally constrained farnesoid X receptor (FXR) agonists: heteroaryl replacements of the naphthalene. Bass JY, Caravella JA, Chen L, Creech KL, Deaton DN, Madauss KP, Marr HB, McFadyen RB, Miller AB, Mills WY, Navas F, Parks DJ, Smalley TL, Spearing PK, Todd D, Williams SP, Wisely GB.: Conformationally constrained farnesoid X receptor (FXR) agonists: heteroaryl replacements of the naphthalene. Bioorg Med Chem Lett, Volume 21 (4), 2011 Bioorg Med Chem Lett 2011 21256005
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Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S,...
Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.
Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22424978
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Bata I, Tömösközi Z, Buzder-Lantos P, Vasas A, Szeleczky...
Bata I, Tömösközi Z, Buzder-Lantos P, Vasas A, Szeleczky G, Balázs L, Barta-Bodor V, Ferenczy GG.
II. Discovery of a novel series of CXCR3 antagonists with a beta amino acid core. Bata I, Tömösközi Z, Buzder-Lantos P, Vasas A, Szeleczky G, Balázs L, Barta-Bodor V, Ferenczy GG.: II. Discovery of a novel series of CXCR3 antagonists with a beta amino acid core. Bioorg Med Chem Lett, Volume 26 (22), 2016 Bioorg Med Chem Lett 2016 27789141
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Bata I, Tömösközi Z, Buzder-Lantos P, Vasas A, Szeleczky...
Bata I, Tömösközi Z, Buzder-Lantos P, Vasas A, Szeleczky G, Bátori S, Barta-Bodor V, Balázs L, Ferenczy GG.
I. Discovery of a novel series of CXCR3 antagonists. Multiparametric optimization of N,N-disubstituted benzylamines. Bata I, Tömösközi Z, Buzder-Lantos P, Vasas A, Szeleczky G, Bátori S, Barta-Bodor V, Balázs L, Ferenczy GG.: I. Discovery of a novel series of CXCR3 antagonists. Multiparametric optimization of N,N-disubstituted benzylamines. Bioorg Med Chem Lett, Volume 26 (22), 2016 Bioorg Med Chem Lett 2016 27789137
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Bates BS, Rodriguez AL, Felts AS, Morrison RD, Venable DF,...
Bates BS, Rodriguez AL, Felts AS, Morrison RD, Venable DF, Blobaum AL, Byers FW, Lawson KP, Daniels JS, Niswender CM, Jones CK, Conn PJ, Lindsley CW, Emmitte KA.
Discovery of VU0431316: a negative allosteric modulator of mGlu5 with activity in a mouse model of anxiety. Bates BS, Rodriguez AL, Felts AS, Morrison RD, Venable DF, Blobaum AL, Byers FW, Lawson KP, Daniels JS, Niswender CM, Jones CK, Conn PJ, Lindsley CW, Emmitte KA.: Discovery of VU0431316: a negative allosteric modulator of mGlu5 with activity in a mouse model of anxiety. Bioorg Med Chem Lett, Volume 24 (15), 2014 Bioorg Med Chem Lett 2014 24969015
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Bäurle S, Nagel J, Peters O, Bräuer N, Ter Laak A,...
Bäurle S, Nagel J, Peters O, Bräuer N, Ter Laak A, Preusse C, Rottmann A, Heldmann D, Bothe U, Blume T, Zorn L, Walter D, Zollner TM, Steinmeyer A, Langer G.
Identification of a Benzimidazolecarboxylic Acid Derivative (BAY 1316957) as a Potent and Selective Human Prostaglandin... Bäurle S, Nagel J, Peters O, Bräuer N, Ter Laak A, Preusse C, Rottmann A, Heldmann D, Bothe U, Blume T, Zorn L, Walter D, Zollner TM, Steinmeyer A, Langer G.: Identification of a Benzimidazolecarboxylic Acid Derivative (BAY 1316957) as a Potent and Selective Human Prostaglandin E2 Receptor Subtype 4 (hEP4-R) Antagonist for the Treatment of Endometriosis. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30707023
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Bautista-Aguilera OM, Samadi A, Chioua M, Nikolic K,...
Bautista-Aguilera OM, Samadi A, Chioua M, Nikolic K, Filipic S, Agbaba D, Soriano E, de Andrés L, Rodríguez-Franco MI, Alcaro S, Ramsay RR, Ortuso F, Yañez M, Marco-Contelles J.
N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine, a new... Bautista-Aguilera OM, Samadi A, Chioua M, Nikolic K, Filipic S, Agbaba D, Soriano E, de Andrés L, Rodríguez-Franco MI, Alcaro S, Ramsay RR, Ortuso F, Yañez M, Marco-Contelles J.: N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor. J Med Chem, Volume 57 (24), 2014 J Med Chem 2014 25418133
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Bavetsias V, Crumpler S, Sun C, Avery S, Atrash B, Faisal...
Bavetsias V, Crumpler S, Sun C, Avery S, Atrash B, Faisal A, Moore AS, Kosmopoulou M, Brown N, Sheldrake PW, Bush K, Henley A, Box G, Valenti M, de Haven Brandon A, Raynaud FI, Workman P, Eccles SA, Bayliss R, Linardopoulos S, Blagg J.
Optimization of imidazo[4,5-b]pyridine-based kinase inhibitors: identification of a dual FLT3/Aurora kinase inhibitor... Bavetsias V, Crumpler S, Sun C, Avery S, Atrash B, Faisal A, Moore AS, Kosmopoulou M, Brown N, Sheldrake PW, Bush K, Henley A, Box G, Valenti M, de Haven Brandon A, Raynaud FI, Workman P, Eccles SA, Bayliss R, Linardopoulos S, Blagg J.: Optimization of imidazo[4,5-b]pyridine-based kinase inhibitors: identification of a dual FLT3/Aurora kinase inhibitor as an orally bioavailable preclinical development candidate for the treatment of acute myeloid leukemia. J Med Chem, Volume 55 (20), 2012 J Med Chem 2012 23043539
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Bavetsias V, Lanigan RM, Ruda GF, Atrash B, McLaughlin MG,...
Bavetsias V, Lanigan RM, Ruda GF, Atrash B, McLaughlin MG, Tumber A, Mok NY, Le Bihan YV, Dempster S, Boxall KJ, Jeganathan F, Hatch SB, Savitsky P, Velupillai S, Krojer T, England KS, Sejberg J, Thai C, Donovan A, Pal A, Scozzafava G, Bennett JM, Kawamura A, Johansson C, Szykowska A, Gileadi C, Burgess-Brown NA, von Delft F, Oppermann U, Walters Z, Shipley J, Raynaud FI, Westaway SM, Prinjha RK, Fedorov O, Burke R, Schofield CJ, Westwood IM, Bountra C, Müller S, van Montfort RL, Brennan PE, Blagg J.
8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1)... Bavetsias V, Lanigan RM, Ruda GF, Atrash B, McLaughlin MG, Tumber A, Mok NY, Le Bihan YV, Dempster S, Boxall KJ, Jeganathan F, Hatch SB, Savitsky P, Velupillai S, Krojer T, England KS, Sejberg J, Thai C, Donovan A, Pal A, Scozzafava G, Bennett JM, Kawamura A, Johansson C, Szykowska A, Gileadi C, Burgess-Brown NA, von Delft F, Oppermann U, Walters Z, Shipley J, Raynaud FI, Westaway SM, Prinjha RK, Fedorov O, Burke R, Schofield CJ, Westwood IM, Bountra C, Müller S, van Montfort RL, Brennan PE, Blagg J.: 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J Med Chem, Volume 59 (4), 2016 J Med Chem 2016 26741168
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Bavetsias V, Large JM, Sun C, Bouloc N, Kosmopoulou M,...
Bavetsias V, Large JM, Sun C, Bouloc N, Kosmopoulou M, Matteucci M, Wilsher NE, Martins V, Reynisson J, Atrash B, Faisal A, Urban F, Valenti M, de Haven Brandon A, Box G, Raynaud FI, Workman P, Eccles SA, Bayliss R, Blagg J, Linardopoulos S, McDonald E.
Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification... Bavetsias V, Large JM, Sun C, Bouloc N, Kosmopoulou M, Matteucci M, Wilsher NE, Martins V, Reynisson J, Atrash B, Faisal A, Urban F, Valenti M, de Haven Brandon A, Box G, Raynaud FI, Workman P, Eccles SA, Bayliss R, Blagg J, Linardopoulos S, McDonald E.: Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J Med Chem, Volume 53 (14), 2010 J Med Chem 2010 20565112
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Baxter EW, Conway KA, Kennis L, Bischoff F, Mercken MH,...
Baxter EW, Conway KA, Kennis L, Bischoff F, Mercken MH, Winter HL, Reynolds CH, Tounge BA, Luo C, Scott MK, Huang Y, Braeken M, Pieters SM, Berthelot DJ, Masure S, Bruinzeel WD, Jordan AD, Parker MH, Boyd RE, Qu J, Alexander RS, Brenneman DE, Reitz AB.
2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-site APP cleaving enzyme): Use of structure based design... Baxter EW, Conway KA, Kennis L, Bischoff F, Mercken MH, Winter HL, Reynolds CH, Tounge BA, Luo C, Scott MK, Huang Y, Braeken M, Pieters SM, Berthelot DJ, Masure S, Bruinzeel WD, Jordan AD, Parker MH, Boyd RE, Qu J, Alexander RS, Brenneman DE, Reitz AB.: 2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead. J Med Chem, Volume 50 (18), 2007 J Med Chem 2007 17685503
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Beaulieu PL, Anderson PC, Bethell R, Bös M, Bousquet Y,...
Beaulieu PL, Anderson PC, Bethell R, Bös M, Bousquet Y, Brochu C, Cordingley MG, Fazal G, Garneau M, Gillard JR, Kawai S, Marquis M, McKercher G, Poupart MA, Stammers T, Thavonekham B, Wernic D, Duan J, Kukolj G.
Discovery of BI 207524, an indole diamide NS5B thumb pocket 1 inhibitor with improved potency for the potential... Beaulieu PL, Anderson PC, Bethell R, Bös M, Bousquet Y, Brochu C, Cordingley MG, Fazal G, Garneau M, Gillard JR, Kawai S, Marquis M, McKercher G, Poupart MA, Stammers T, Thavonekham B, Wernic D, Duan J, Kukolj G.: Discovery of BI 207524, an indole diamide NS5B thumb pocket 1 inhibitor with improved potency for the potential treatment of chronic hepatitis C virus infection. J Med Chem, Volume 57 (23), 2014 J Med Chem 2014 25393851
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Beaulieu PL, Bolger G, Deon D, Duplessis M, Fazal G, Gagnon...
Beaulieu PL, Bolger G, Deon D, Duplessis M, Fazal G, Gagnon A, Garneau M, LaPlante S, Stammers T, Kukolj G, Duan J.
Multi-parameter optimization of aza-follow-ups to BI 207524, a thumb pocket 1 HCV NS5B polymerase inhibitor. Part 2:... Beaulieu PL, Bolger G, Deon D, Duplessis M, Fazal G, Gagnon A, Garneau M, LaPlante S, Stammers T, Kukolj G, Duan J.: Multi-parameter optimization of aza-follow-ups to BI 207524, a thumb pocket 1 HCV NS5B polymerase inhibitor. Part 2: Impact of lipophilicity on promiscuity and in vivo toxicity. Bioorg Med Chem Lett, Volume 25 (5), 2015 Bioorg Med Chem Lett 2015 25599836
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Beaulieu PL, Bolger G, Duplessis M, Gagnon A, Garneau M,...
Beaulieu PL, Bolger G, Duplessis M, Gagnon A, Garneau M, Stammers T, Kukolj G, Duan J.
Aza follow-ups to BI 207524, a thumb pocket 1 HCV NS5B polymerase inhibitor. Part 1: Mitigating the genotoxic liability... Beaulieu PL, Bolger G, Duplessis M, Gagnon A, Garneau M, Stammers T, Kukolj G, Duan J.: Aza follow-ups to BI 207524, a thumb pocket 1 HCV NS5B polymerase inhibitor. Part 1: Mitigating the genotoxic liability of an aniline metabolite. Bioorg Med Chem Lett, Volume 25 (5), 2015 Bioorg Med Chem Lett 2015 25575656
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Beaulieu PL, Bös M, Cordingley MG, Chabot C, Fazal G,...
Beaulieu PL, Bös M, Cordingley MG, Chabot C, Fazal G, Garneau M, Gillard JR, Jolicoeur E, LaPlante S, McKercher G, Poirier M, Poupart MA, Tsantrizos YS, Duan J, Kukolj G.
Discovery of the first thumb pocket 1 NS5B polymerase inhibitor (BILB 1941) with demonstrated antiviral activity in... Beaulieu PL, Bös M, Cordingley MG, Chabot C, Fazal G, Garneau M, Gillard JR, Jolicoeur E, LaPlante S, McKercher G, Poirier M, Poupart MA, Tsantrizos YS, Duan J, Kukolj G.: Discovery of the first thumb pocket 1 NS5B polymerase inhibitor (BILB 1941) with demonstrated antiviral activity in patients chronically infected with genotype 1 hepatitis C virus (HCV). J Med Chem, Volume 55 (17), 2012 J Med Chem 2012 22849725
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Beaulieu PL, Chabot C, Duan J, Garneau M, Gillard J,...
Beaulieu PL, Chabot C, Duan J, Garneau M, Gillard J, Jolicoeur E, Poirier M, Poupart MA, Stammers TA, Kukolj G, Tsantrizos YS.
Indole 5-carboxamide Thumb Pocket I inhibitors of HCV NS5B polymerase with nanomolar potency in cell-based subgenomic... Beaulieu PL, Chabot C, Duan J, Garneau M, Gillard J, Jolicoeur E, Poirier M, Poupart MA, Stammers TA, Kukolj G, Tsantrizos YS.: Indole 5-carboxamide Thumb Pocket I inhibitors of HCV NS5B polymerase with nanomolar potency in cell-based subgenomic replicons (part 2): central amino acid linker and right-hand-side SAR studies. Bioorg Med Chem Lett, Volume 21 (12), 2011 Bioorg Med Chem Lett 2011 21592789
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Beaulieu PL, Coulombe R, Duan J, Fazal G, Godbout C, Hucke...
Beaulieu PL, Coulombe R, Duan J, Fazal G, Godbout C, Hucke O, Jakalian A, Joly MA, Lepage O, Llinàs-Brunet M, Naud J, Poirier M, Rioux N, Thavonekham B, Kukolj G, Stammers TA.
Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency:... Beaulieu PL, Coulombe R, Duan J, Fazal G, Godbout C, Hucke O, Jakalian A, Joly MA, Lepage O, Llinàs-Brunet M, Naud J, Poirier M, Rioux N, Thavonekham B, Kukolj G, Stammers TA.: Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: discovery of a quinazolinone chemotype. Bioorg Med Chem Lett, Volume 23 (14), 2013 Bioorg Med Chem Lett 2013 23768906
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Beaulieu PL, Dansereau N, Duan J, Garneau M, Gillard J,...
Beaulieu PL, Dansereau N, Duan J, Garneau M, Gillard J, McKercher G, LaPlante S, Lagacée L, Thauvette L, Kukolj G.
Benzimidazole Thumb Pocket I finger-loop inhibitors of HCV NS5B polymerase: improved drug-like properties through C-2... Beaulieu PL, Dansereau N, Duan J, Garneau M, Gillard J, McKercher G, LaPlante S, Lagacée L, Thauvette L, Kukolj G.: Benzimidazole Thumb Pocket I finger-loop inhibitors of HCV NS5B polymerase: improved drug-like properties through C-2 SAR in three sub-series. Bioorg Med Chem Lett, Volume 20 (6), 2010 Bioorg Med Chem Lett 2010 20185309
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Beaulieu PL, Gillard J, Jolicoeur E, Duan J, Garneau M,...
Beaulieu PL, Gillard J, Jolicoeur E, Duan J, Garneau M, Kukolj G, Poupart MA.
From benzimidazole to indole-5-carboxamide Thumb Pocket I inhibitors of HCV NS5B polymerase. Part 1: indole C-2 SAR and... Beaulieu PL, Gillard J, Jolicoeur E, Duan J, Garneau M, Kukolj G, Poupart MA.: From benzimidazole to indole-5-carboxamide Thumb Pocket I inhibitors of HCV NS5B polymerase. Part 1: indole C-2 SAR and discovery of diamide derivatives with nanomolar potency in cell-based subgenomic replicons. Bioorg Med Chem Lett, Volume 21 (12), 2011 Bioorg Med Chem Lett 2011 21550240
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Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R,...
Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R, Dansereau N, Duan J, Garneau M, Jakalian A, Kühn P, Lagacé L, LaPlante S, McKercher G, Perrault S, Poirier M, Poupart MA, Stammers T, Thauvette L, Thavonekham B, Kukolj G.
N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase:... Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R, Dansereau N, Duan J, Garneau M, Jakalian A, Kühn P, Lagacé L, LaPlante S, McKercher G, Perrault S, Poirier M, Poupart MA, Stammers T, Thauvette L, Thavonekham B, Kukolj G.: N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies. Bioorg Med Chem Lett, Volume 20 (3), 2010 Bioorg Med Chem Lett 2010 20074949
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Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A,...
Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.
Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009 J Med Chem 2009 19746978
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Beck H, Thaler T, Meibom D, Meininghaus M, Jörißen H,...
Beck H, Thaler T, Meibom D, Meininghaus M, Jörißen H, Dietz L, Terjung C, Bairlein M, von Bühler CJ, Anlauf S, Fürstner C, Stellfeld T, Schneider D, Gericke KM, Buyck T, Lovis K, Münster U, Anlahr J, Kersten E, Levilain G, Marossek V, Kast R.
Potent and Selective Human Prostaglandin F (FP) Receptor Antagonist (BAY-6672) for the Treatment of Idiopathic... Beck H, Thaler T, Meibom D, Meininghaus M, Jörißen H, Dietz L, Terjung C, Bairlein M, von Bühler CJ, Anlauf S, Fürstner C, Stellfeld T, Schneider D, Gericke KM, Buyck T, Lovis K, Münster U, Anlahr J, Kersten E, Levilain G, Marossek V, Kast R.: Potent and Selective Human Prostaglandin F (FP) Receptor Antagonist (BAY-6672) for the Treatment of Idiopathic Pulmonary Fibrosis (IPF). J Med Chem, Volume 63 (20), 2020 J Med Chem 2020 32969660
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Becker OM, Dhanoa DS, Marantz Y, Chen D, Shacham S, Cheruku...
Becker OM, Dhanoa DS, Marantz Y, Chen D, Shacham S, Cheruku S, Heifetz A, Mohanty P, Fichman M, Sharadendu A, Nudelman R, Kauffman M, Noiman S.
An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist... Becker OM, Dhanoa DS, Marantz Y, Chen D, Shacham S, Cheruku S, Heifetz A, Mohanty P, Fichman M, Sharadendu A, Nudelman R, Kauffman M, Noiman S.: An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression. J Med Chem, Volume 49 (11), 2006 J Med Chem 2006 16722631
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Bedford ST, Benwell KR, Brooks T, Chen I, Comer M, Dugdale...
Bedford ST, Benwell KR, Brooks T, Chen I, Comer M, Dugdale S, Haymes T, Jordan AM, Kennett GA, Knight AR, Klenke B, LeStrat L, Merrett A, Misra A, Lightowler S, Padfield A, Poullennec K, Reece M, Simmonite H, Wong M, Yule IA.
Discovery and optimization of potent and selective functional antagonists of the human adenosine A2B receptor. Bedford ST, Benwell KR, Brooks T, Chen I, Comer M, Dugdale S, Haymes T, Jordan AM, Kennett GA, Knight AR, Klenke B, LeStrat L, Merrett A, Misra A, Lightowler S, Padfield A, Poullennec K, Reece M, Simmonite H, Wong M, Yule IA.: Discovery and optimization of potent and selective functional antagonists of the human adenosine A2B receptor. Bioorg Med Chem Lett, Volume 19 (20), 2009 Bioorg Med Chem Lett 2009 19733067
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Bednarczyk D, Ekins S, Wikel JH, Wright SH.
Bednarczyk D, Ekins S, Wikel JH, Wright SH.
Influence of molecular structure on substrate binding to the human organic cation transporter, hOCT1. Bednarczyk D, Ekins S, Wikel JH, Wright SH.: Influence of molecular structure on substrate binding to the human organic cation transporter, hOCT1. Mol Pharmacol, Volume 63 (3), 2003 Mol Pharmacol 2003 12606755
Total substances: 22
Total passive interactions: 0
Total active interactions: 22
Bednarczyk D.
Bednarczyk D.
Fluorescence-based assays for the assessment of drug interaction with the human transporters OATP1B1 and OATP1B3. Bednarczyk D.: Fluorescence-based assays for the assessment of drug interaction with the human transporters OATP1B1 and OATP1B3. Anal Biochem, Volume 405 (1), 2010 Anal Biochem 2010 20540932
Total substances: 8
Total passive interactions: 0
Total active interactions: 11
Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC,...
Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.
Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006 Bioorg Med Chem Lett 2006 16483773
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Begnini F, Geschwindner S, Johansson P, Wissler L, Lewis...
Begnini F, Geschwindner S, Johansson P, Wissler L, Lewis RJ, Lewis RJ, Danelius E, Luttens A, Matricon P, Carlsson J, Lenders S, König B, Friedel A, Sjö P, Schiesser S, Kihlberg J.
Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2... Begnini F, Geschwindner S, Johansson P, Wissler L, Lewis RJ, Lewis RJ, Danelius E, Luttens A, Matricon P, Carlsson J, Lenders S, König B, Friedel A, Sjö P, Schiesser S, Kihlberg J.: Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J Med Chem, Volume 65 (4), 2022 J Med Chem 2022 35108001
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Begnini F, Poongavanam V, Atilaw Y, Erdelyi M, Schiesser S,...
Begnini F, Poongavanam V, Atilaw Y, Erdelyi M, Schiesser S, Kihlberg J.
Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies. Begnini F, Poongavanam V, Atilaw Y, Erdelyi M, Schiesser S, Kihlberg J.: Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies. ACS Med Chem Lett, Volume 12 (6), 2021 ACS Med Chem Lett 2021 34136079
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Begnini F, Poongavanam V, Over B, Castaldo M, Geschwindner...
Begnini F, Poongavanam V, Over B, Castaldo M, Geschwindner S, Johansson P, Tyagi M, Tyrchan C, Wissler L, Sjö P, Schiesser S, Kihlberg J.
Mining Natural Products for Macrocycles to Drug Difficult Targets. Begnini F, Poongavanam V, Over B, Castaldo M, Geschwindner S, Johansson P, Tyagi M, Tyrchan C, Wissler L, Sjö P, Schiesser S, Kihlberg J.: Mining Natural Products for Macrocycles to Drug Difficult Targets. J Med Chem, Volume 64 (2), 2021 J Med Chem 2021 33337880
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Behnam MA, Graf D, Bartenschlager R, Zlotos DP, Klein CD.
Behnam MA, Graf D, Bartenschlager R, Zlotos DP, Klein CD.
Discovery of Nanomolar Dengue and West Nile Virus Protease Inhibitors Containing a 4-Benzyloxyphenylglycine Residue. Behnam MA, Graf D, Bartenschlager R, Zlotos DP, Klein CD.: Discovery of Nanomolar Dengue and West Nile Virus Protease Inhibitors Containing a 4-Benzyloxyphenylglycine Residue. J Med Chem, Volume 58 (23), 2015 J Med Chem 2015 26562070
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Behnke D, Cotesta S, Hintermann S, Fendt M, Gee CE,...
Behnke D, Cotesta S, Hintermann S, Fendt M, Gee CE, Jacobson LH, Laue G, Meyer A, Wagner T, Badiger S, Chaudhari V, Chebrolu M, Pandit C, Hoyer D, Betschart C.
Discovery of 1H-pyrazolo[3,4-b]pyridines as potent dual orexin receptor antagonists (DORAs). Behnke D, Cotesta S, Hintermann S, Fendt M, Gee CE, Jacobson LH, Laue G, Meyer A, Wagner T, Badiger S, Chaudhari V, Chebrolu M, Pandit C, Hoyer D, Betschart C.: Discovery of 1H-pyrazolo[3,4-b]pyridines as potent dual orexin receptor antagonists (DORAs). Bioorg Med Chem Lett, Volume 25 (23), 2015 Bioorg Med Chem Lett 2015 26522950
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Belanger DB, Curran PJ, Hruza A, Voigt J, Meng Z, Mandal...
Belanger DB, Curran PJ, Hruza A, Voigt J, Meng Z, Mandal AK, Siddiqui MA, Basso AD, Gray K.
Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors. Belanger DB, Curran PJ, Hruza A, Voigt J, Meng Z, Mandal AK, Siddiqui MA, Basso AD, Gray K.: Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors. Bioorg Med Chem Lett, Volume 20 (17), 2010 Bioorg Med Chem Lett 2010 20674350
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Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James...
Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.
Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014 J Med Chem 2014 24521299
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Belema M, Nguyen VN, Romine JL, St Laurent DR, Lopez OD,...
Belema M, Nguyen VN, Romine JL, St Laurent DR, Lopez OD, Goodrich JT, Nower PT, O'Boyle DR, Lemm JA, Fridell RA, Gao M, Fang H, Krause RG, Wang YK, Oliver AJ, Good AC, Knipe JO, Meanwell NA, Snyder LB.
Hepatitis C virus NS5A replication complex inhibitors. Part 6: Discovery of a novel and highly potent biarylimidazole... Belema M, Nguyen VN, Romine JL, St Laurent DR, Lopez OD, Goodrich JT, Nower PT, O'Boyle DR, Lemm JA, Fridell RA, Gao M, Fang H, Krause RG, Wang YK, Oliver AJ, Good AC, Knipe JO, Meanwell NA, Snyder LB.: Hepatitis C virus NS5A replication complex inhibitors. Part 6: Discovery of a novel and highly potent biarylimidazole chemotype with inhibitory activity toward genotypes 1a and 1b replicons. J Med Chem, Volume 57 (5), 2014 J Med Chem 2014 24437689
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Bell IM, Bednar RA, Fay JF, Gallicchio SN, Hochman JH,...
Bell IM, Bednar RA, Fay JF, Gallicchio SN, Hochman JH, McMasters DR, Miller-Stein C, Moore EL, Mosser SD, Pudvah NT, Quigley AG, Salvatore CA, Stump CA, Theberge CR, Wong BK, Zartman CB, Zhang XF, Kane SA, Graham SL, Vacca JP, Williams TM.
Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists. Bell IM, Bednar RA, Fay JF, Gallicchio SN, Hochman JH, McMasters DR, Miller-Stein C, Moore EL, Mosser SD, Pudvah NT, Quigley AG, Salvatore CA, Stump CA, Theberge CR, Wong BK, Zartman CB, Zhang XF, Kane SA, Graham SL, Vacca JP, Williams TM.: Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists. Bioorg Med Chem Lett, Volume 16 (24), 2006 Bioorg Med Chem Lett 2006 17027263
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Bell JL, Haak AJ, Wade SM, Kirchhoff PD, Neubig RR, Larsen...
Bell JL, Haak AJ, Wade SM, Kirchhoff PD, Neubig RR, Larsen SD.
Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential... Bell JL, Haak AJ, Wade SM, Kirchhoff PD, Neubig RR, Larsen SD.: Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents. Bioorg Med Chem Lett, Volume 23 (13), 2013 Bioorg Med Chem Lett 2013 23707258
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Bellenie BR, Cheung KJ, Varela A, Pierrat OA, Collie GW,...
Bellenie BR, Cheung KJ, Varela A, Pierrat OA, Collie GW, Box GM, Bright MD, Gowan S, Hayes A, Rodrigues MJ, Shetty KN, Carter M, Davis OA, Henley AT, Innocenti P, Johnson LD, Liu M, de Klerk S, Le Bihan YV, Lloyd MG, McAndrew PC, Shehu E, Talbot R, Woodward HL, Burke R, Kirkin V, van Montfort RLM, Raynaud FI, Rossanese OW, Hoelder S.
Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. Bellenie BR, Cheung KJ, Varela A, Pierrat OA, Collie GW, Box GM, Bright MD, Gowan S, Hayes A, Rodrigues MJ, Shetty KN, Carter M, Davis OA, Henley AT, Innocenti P, Johnson LD, Liu M, de Klerk S, Le Bihan YV, Lloyd MG, McAndrew PC, Shehu E, Talbot R, Woodward HL, Burke R, Kirkin V, van Montfort RLM, Raynaud FI, Rossanese OW, Hoelder S.: Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J Med Chem, Volume 63 (8), 2020 J Med Chem 2020 32275432
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Ben L, Jones ED, Zhou E, Li C, Baylis DC, Yu S, Wang M, He...
Ben L, Jones ED, Zhou E, Li C, Baylis DC, Yu S, Wang M, He X, Coates JA, Rhodes DI, Pei G, Deadman JJ, Xie X, Ma D.
Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor... Ben L, Jones ED, Zhou E, Li C, Baylis DC, Yu S, Wang M, He X, Coates JA, Rhodes DI, Pei G, Deadman JJ, Xie X, Ma D.: Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 1: Tuning the N-substituents. Bioorg Med Chem Lett, Volume 20 (14), 2010 Bioorg Med Chem Lett 2010 20561788
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Benchekroun M, Romero A, Egea J, León R, Michalska P,...
Benchekroun M, Romero A, Egea J, León R, Michalska P, Buendía I, Buendía I, Jimeno ML, Jun D, Janockova J, Sepsova V, Soukup O, Bautista-Aguilera OM, Refouvelet B, Ouari O, Marco-Contelles J, Ismaili L.
The Antioxidant Additive Approach for Alzheimer's Disease Therapy: New Ferulic (Lipoic) Acid Plus Melatonin Modified... Benchekroun M, Romero A, Egea J, León R, Michalska P, Buendía I, Buendía I, Jimeno ML, Jun D, Janockova J, Sepsova V, Soukup O, Bautista-Aguilera OM, Refouvelet B, Ouari O, Marco-Contelles J, Ismaili L.: The Antioxidant Additive Approach for Alzheimer's Disease Therapy: New Ferulic (Lipoic) Acid Plus Melatonin Modified Tacrines as Cholinesterases Inhibitors, Direct Antioxidants, and Nuclear Factor (Erythroid-Derived 2)-Like 2 Activators. J Med Chem, Volume 59 (21), 2016 J Med Chem 2016 27736061
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Bengtsson C, Blaho S, Saitton DB, Brickmann K, Broddefalk...
Bengtsson C, Blaho S, Saitton DB, Brickmann K, Broddefalk J, Davidsson O, Drmota T, Folmer R, Hallberg K, Hallén S, Hovland R, Isin E, Johannesson P, Kull B, Larsson LO, Löfgren L, Nilsson KE, Noeske T, Oakes N, Plowright AT, Schnecke V, Ståhlberg P, Sörme P, Wan H, Wellner E, Oster L.
Design of small molecule inhibitors of acetyl-CoA carboxylase 1 and 2 showing reduction of hepatic malonyl-CoA levels... Bengtsson C, Blaho S, Saitton DB, Brickmann K, Broddefalk J, Davidsson O, Drmota T, Folmer R, Hallberg K, Hallén S, Hovland R, Isin E, Johannesson P, Kull B, Larsson LO, Löfgren L, Nilsson KE, Noeske T, Oakes N, Plowright AT, Schnecke V, Ståhlberg P, Sörme P, Wan H, Wellner E, Oster L.: Design of small molecule inhibitors of acetyl-CoA carboxylase 1 and 2 showing reduction of hepatic malonyl-CoA levels in vivo in obese Zucker rats. Bioorg Med Chem, Volume 19 (10), 2011 Bioorg Med Chem 2011 21515056
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Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.
Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.
MemCross: Accelerated Weight Histogram method to assess membrane permeability. Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023 Biochim Biophys Acta Biomembr 2023 36669638
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Bennett MJ, Wu Y, Boloor A, Matuszkiewicz J, O'Connell SM,...
Bennett MJ, Wu Y, Boloor A, Matuszkiewicz J, O'Connell SM, Shi L, Stansfield RK, Del Rosario JR, Veal JM, Hosfield DJ, Xu J, Kaldor SW, Stafford JA, Betancort JM.
Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors. Bennett MJ, Wu Y, Boloor A, Matuszkiewicz J, O'Connell SM, Shi L, Stansfield RK, Del Rosario JR, Veal JM, Hosfield DJ, Xu J, Kaldor SW, Stafford JA, Betancort JM.: Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors. Bioorg Med Chem Lett, Volume 28 (10), 2018 Bioorg Med Chem Lett 2018 29657099
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Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez...
Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.
Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS.: Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data. J Phys Chem B, Volume 121 (20), 5228-5237, 2017 J Phys Chem B 2017 28453293
Total substances: 9
Total passive interactions: 17
Total active interactions: 0
Berg S, Bergh M, Hellberg S, Högdin K, Lo-Alfredsson Y,...
Berg S, Bergh M, Hellberg S, Högdin K, Lo-Alfredsson Y, Söderman P, von Berg S, Weigelt T, Ormö M, Xue Y, Tucker J, Neelissen J, Jerning E, Nilsson Y, Bhat R.
Discovery of novel potent and highly selective glycogen synthase kinase-3β (GSK3β) inhibitors for Alzheimer's... Berg S, Bergh M, Hellberg S, Högdin K, Lo-Alfredsson Y, Söderman P, von Berg S, Weigelt T, Ormö M, Xue Y, Tucker J, Neelissen J, Jerning E, Nilsson Y, Bhat R.: Discovery of novel potent and highly selective glycogen synthase kinase-3β (GSK3β) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J Med Chem, Volume 55 (21), 2012 J Med Chem 2012 22489897
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Bergeon JA, Toth I.
Bergeon JA, Toth I.
Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability... Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007 Bioorg Med Chem 2007 17845857
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Berger DM, Dutia M, Powell D, Floyd MB, Torres N, Mallon R,...
Berger DM, Dutia M, Powell D, Floyd MB, Torres N, Mallon R, Wojciechowicz D, Kim S, Feldberg L, Collins K, Chaudhary I.
4-Anilino-7-alkenylquinoline-3-carbonitriles as potent MEK1 kinase inhibitors. Berger DM, Dutia M, Powell D, Floyd MB, Torres N, Mallon R, Wojciechowicz D, Kim S, Feldberg L, Collins K, Chaudhary I.: 4-Anilino-7-alkenylquinoline-3-carbonitriles as potent MEK1 kinase inhibitors. Bioorg Med Chem, Volume 16 (20), 2008 Bioorg Med Chem 2008 18815050
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Berger M, May E, Rehwinkel H, Schäcke H, Neuhaus R,...
Berger M, May E, Rehwinkel H, Schäcke H, Neuhaus R, Rottmann A, Zollner TM, Jaroch S.
Discovery of the potent non-steroidal glucocorticoid receptor modulator BAY 1003803 as clinical candidate. Berger M, May E, Rehwinkel H, Schäcke H, Neuhaus R, Rottmann A, Zollner TM, Jaroch S.: Discovery of the potent non-steroidal glucocorticoid receptor modulator BAY 1003803 as clinical candidate. Bioorg Med Chem Lett, Volume 30 (16), 2020 Bioorg Med Chem Lett 2020 32631518
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Berger M, Wortmann L, Buchgraber P, Lücking U,...
Berger M, Wortmann L, Buchgraber P, Lücking U, Zitzmann-Kolbe S, Wengner AM, Bader B, Bömer U, Briem H, Eis K, Rehwinkel H, Bartels F, Moosmayer D, Eberspächer U, Lienau P, Hammer S, Schatz CA, Wang Q, Wang Q, Mumberg D, Nising CF, Siemeister G.
BAY-8400: A Novel Potent and Selective DNA-PK Inhibitor which Shows Synergistic Efficacy in Combination with Targeted... Berger M, Wortmann L, Buchgraber P, Lücking U, Zitzmann-Kolbe S, Wengner AM, Bader B, Bömer U, Briem H, Eis K, Rehwinkel H, Bartels F, Moosmayer D, Eberspächer U, Lienau P, Hammer S, Schatz CA, Wang Q, Wang Q, Mumberg D, Nising CF, Siemeister G.: BAY-8400: A Novel Potent and Selective DNA-PK Inhibitor which Shows Synergistic Efficacy in Combination with Targeted Alpha Therapies. J Med Chem, Volume 64 (17), 2021 J Med Chem 2021 34428039
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Bergeron P, Koehler MF, Blackwood EM, Bowman K, Clark K,...
Bergeron P, Koehler MF, Blackwood EM, Bowman K, Clark K, Firestein R, Kiefer JR, Maskos K, McCleland ML, Orren L, Ramaswamy S, Salphati L, Schmidt S, Schneider EV, Wu J, Beresini M.
Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8. Bergeron P, Koehler MF, Blackwood EM, Bowman K, Clark K, Firestein R, Kiefer JR, Maskos K, McCleland ML, Orren L, Ramaswamy S, Salphati L, Schmidt S, Schneider EV, Wu J, Beresini M.: Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8. ACS Med Chem Lett, Volume 7 (6), 2016 ACS Med Chem Lett 2016 27326333
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Bergström CA, Strafford M, Lazorova L, Avdeef A, Luthman...
Bergström CA, Strafford M, Lazorova L, Avdeef A, Luthman K, Artursson P.
Absorption classification of oral drugs based on molecular surface properties. Bergström CA, Strafford M, Lazorova L, Avdeef A, Luthman K, Artursson P.: Absorption classification of oral drugs based on molecular surface properties. J Med Chem, Volume 46 (4), 558-570, 2003 J Med Chem 2003 12570377
Total substances: 22
Total passive interactions: 22
Total active interactions: 0
Beria I, Ballinari D, Bertrand JA, Borghi D, Bossi RT,...
Beria I, Ballinari D, Bertrand JA, Borghi D, Bossi RT, Brasca MG, Cappella P, Cappella P, Caruso M, Ceccarelli W, Ciavolella A, Cristiani C, Croci V, De Ponti A, Fachin G, Ferguson RD, Lansen J, Moll JK, Pesenti E, Posteri H, Perego R, Rocchetti M, Storici P, Volpi D, Valsasina B.
Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective... Beria I, Ballinari D, Bertrand JA, Borghi D, Bossi RT, Brasca MG, Cappella P, Cappella P, Caruso M, Ceccarelli W, Ciavolella A, Cristiani C, Croci V, De Ponti A, Fachin G, Ferguson RD, Lansen J, Moll JK, Pesenti E, Posteri H, Perego R, Rocchetti M, Storici P, Volpi D, Valsasina B.: Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors. J Med Chem, Volume 53 (9), 2010 J Med Chem 2010 20397705
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Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W,...
Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Re Depaolini S, Valsasina B.
NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Re Depaolini S, Valsasina B.: NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorg Med Chem Lett, Volume 21 (10), 2011 Bioorg Med Chem Lett 2011 21470862
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Beria I, Caldarelli M, Geroni C, Mongelli N, Reinach B,...
Beria I, Caldarelli M, Geroni C, Mongelli N, Reinach B, Vignati L, Cozzi P.
Cytotoxic alpha-bromoacrylic derivatives of low molecular weight. Beria I, Caldarelli M, Geroni C, Mongelli N, Reinach B, Vignati L, Cozzi P.: Cytotoxic alpha-bromoacrylic derivatives of low molecular weight. Bioorg Med Chem Lett, Volume 12 (11), 2002 Bioorg Med Chem Lett 2002 12031321
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Beria I, Valsasina B, Brasca MG, Ceccarelli W, Colombo M,...
Beria I, Valsasina B, Brasca MG, Ceccarelli W, Colombo M, Cribioli S, Fachin G, Ferguson RD, Fiorentini F, Gianellini LM, Giorgini ML, Moll JK, Posteri H, Pezzetta D, Roletto F, Sola F, Tesei D, Caruso M.
4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors. Beria I, Valsasina B, Brasca MG, Ceccarelli W, Colombo M, Cribioli S, Fachin G, Ferguson RD, Fiorentini F, Gianellini LM, Giorgini ML, Moll JK, Posteri H, Pezzetta D, Roletto F, Sola F, Tesei D, Caruso M.: 4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors. Bioorg Med Chem Lett, Volume 20 (22), 2010 Bioorg Med Chem Lett 2010 20932759
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Berka P, Stránská D, Semecký V, Berka K, Doležal P.
Berka P, Stránská D, Semecký V, Berka K, Doležal P.
In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of... Berka P, Stránská D, Semecký V, Berka K, Doležal P.: In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of macromolecular drugs from solution or nanofiber mats. Int J Pharm, Volume 572, 118711, 2019 Int J Pharm 2019 31593804
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Berlin M, Lee YJ, Boyce CW, Wang Y, Aslanian R, McCormick...
Berlin M, Lee YJ, Boyce CW, Wang Y, Aslanian R, McCormick KD, Sorota S, Williams SM, West RE, Korfmacher W.
Reduction of hERG inhibitory activity in the 4-piperidinyl urea series of H3 antagonists. Berlin M, Lee YJ, Boyce CW, Wang Y, Aslanian R, McCormick KD, Sorota S, Williams SM, West RE, Korfmacher W.: Reduction of hERG inhibitory activity in the 4-piperidinyl urea series of H3 antagonists. Bioorg Med Chem Lett, Volume 20 (7), 2010 Bioorg Med Chem Lett 2010 20188550
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Bermejo M, Avdeef A, Ruiz A, Nalda R, Ruell JA, Tsinman O,...
Bermejo M, Avdeef A, Ruiz A, Nalda R, Ruell JA, Tsinman O, González I, Fernández C, Sánchez G, Garrigues TM, Merino V.
PAMPA--a drug absorption in vitro model 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Bermejo M, Avdeef A, Ruiz A, Nalda R, Ruell JA, Tsinman O, González I, Fernández C, Sánchez G, Garrigues TM, Merino V.: PAMPA--a drug absorption in vitro model 7. Comparing rat in situ, Caco-2, and PAMPA permeability of fluoroquinolones. Eur J Pharm Sci, Volume 21 (4), 429-441, 2004 Eur J Pharm Sci 2004 14998573
Total substances: 20
Total passive interactions: 29
Total active interactions: 0
Bertamino A, Iraci N, Ostacolo C, Ambrosino P, Musella S,...
Bertamino A, Iraci N, Ostacolo C, Ambrosino P, Musella S, Di Sarno V, Ciaglia T, Pepe G, Sala M, Soldovieri MV, Mosca I, Gonzalez-Rodriguez S, Fernandez-Carvajal A, Ferrer-Montiel A, Novellino E, Taglialatela M, Campiglia P, Gomez-Monterrey I.
Identification of a Potent Tryptophan-Based TRPM8 Antagonist With in Vivo Analgesic Activity. Bertamino A, Iraci N, Ostacolo C, Ambrosino P, Musella S, Di Sarno V, Ciaglia T, Pepe G, Sala M, Soldovieri MV, Mosca I, Gonzalez-Rodriguez S, Fernandez-Carvajal A, Ferrer-Montiel A, Novellino E, Taglialatela M, Campiglia P, Gomez-Monterrey I.: Identification of a Potent Tryptophan-Based TRPM8 Antagonist With in Vivo Analgesic Activity. J Med Chem, Volume 61 (14), 2018 J Med Chem 2018 29939028
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Betschart C, Faller M, Zink F, Hemmig R, Blank J,...
Betschart C, Faller M, Zink F, Hemmig R, Blank J, Vangrevelinghe E, Bourrel M, Glatthar R, Behnke D, Barker K, Heizmann A, Angst D, Nimsgern P, Jacquier S, Junt T, Zipfel G, Ruzzante G, Loetscher P, Limonta S, Hawtin S, Andre CB, Boulay T, Feifel R, Knoepfel T.
Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8... Betschart C, Faller M, Zink F, Hemmig R, Blank J, Vangrevelinghe E, Bourrel M, Glatthar R, Behnke D, Barker K, Heizmann A, Angst D, Nimsgern P, Jacquier S, Junt T, Zipfel G, Ruzzante G, Loetscher P, Limonta S, Hawtin S, Andre CB, Boulay T, Feifel R, Knoepfel T.: Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist. ACS Med Chem Lett, Volume 13 (4), 2022 ACS Med Chem Lett 2022 35450354
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Bewley BR, Spearing PK, Weiner RL, Luscombe VB, Zhan X,...
Bewley BR, Spearing PK, Weiner RL, Luscombe VB, Zhan X, Chang S, Cho HP, Rodriguez AL, Niswender CM, Conn PJ, Bridges TM, Engers DW, Lindsley CW.
Discovery of a novel, CNS penetrant M4 PAM chemotype based on a... Bewley BR, Spearing PK, Weiner RL, Luscombe VB, Zhan X, Chang S, Cho HP, Rodriguez AL, Niswender CM, Conn PJ, Bridges TM, Engers DW, Lindsley CW.: Discovery of a novel, CNS penetrant M4 PAM chemotype based on a 6-fluoro-4-(piperidin-1-yl)quinoline-3-carbonitrile core. Bioorg Med Chem Lett, Volume 27 (18), 2017 Bioorg Med Chem Lett 2017 28866269
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Bey E, Marchais-Oberwinkler S, Kruchten P, Frotscher M,...
Bey E, Marchais-Oberwinkler S, Kruchten P, Frotscher M, Werth R, Oster A, Algül O, Neugebauer A, Hartmann RW.
Design, synthesis and biological evaluation of bis(hydroxyphenyl) azoles as potent and selective non-steroidal... Bey E, Marchais-Oberwinkler S, Kruchten P, Frotscher M, Werth R, Oster A, Algül O, Neugebauer A, Hartmann RW.: Design, synthesis and biological evaluation of bis(hydroxyphenyl) azoles as potent and selective non-steroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases. Bioorg Med Chem, Volume 16 (12), 2008 Bioorg Med Chem 2008 18514529
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Bey E, Marchais-Oberwinkler S, Werth R, Negri M, Al-Soud...
Bey E, Marchais-Oberwinkler S, Werth R, Negri M, Al-Soud YA, Kruchten P, Oster A, Frotscher M, Birk B, Hartmann RW.
Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes,... Bey E, Marchais-Oberwinkler S, Werth R, Negri M, Al-Soud YA, Kruchten P, Oster A, Frotscher M, Birk B, Hartmann RW.: Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). J Med Chem, Volume 51 (21), 2008 J Med Chem 2008 18855374
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Bezençon O, Heidmann B, Siegrist R, Stamm S, Richard S,...
Bezençon O, Heidmann B, Siegrist R, Stamm S, Richard S, Pozzi D, Corminboeuf O, Roch C, Kessler M, Ertel EA, Reymond I, Pfeifer T, de Kanter R, Toeroek-Schafroth M, Moccia LG, Mawet J, Moon R, Rey M, Capeleto B, Fournier E.
Discovery of a Potent, Selective T-type Calcium Channel Blocker as a Drug Candidate for the Treatment of Generalized... Bezençon O, Heidmann B, Siegrist R, Stamm S, Richard S, Pozzi D, Corminboeuf O, Roch C, Kessler M, Ertel EA, Reymond I, Pfeifer T, de Kanter R, Toeroek-Schafroth M, Moccia LG, Mawet J, Moon R, Rey M, Capeleto B, Fournier E.: Discovery of a Potent, Selective T-type Calcium Channel Blocker as a Drug Candidate for the Treatment of Generalized Epilepsies. J Med Chem, Volume 60 (23), 2017 J Med Chem 2017 29116786
Total substances: 2
Total passive interactions: 0
Total active interactions: 9
Bharate SB, Kumar V, Jain SK, Mintoo MJ, Guru SK, Nuthakki...
Bharate SB, Kumar V, Jain SK, Mintoo MJ, Guru SK, Nuthakki VK, Sharma M, Bharate SS, Gandhi SG, Mondhe DM, Bhushan S, Vishwakarma RA.
Discovery and Preclinical Development of IIIM-290, an Orally Active Potent Cyclin-Dependent Kinase Inhibitor. Bharate SB, Kumar V, Jain SK, Mintoo MJ, Guru SK, Nuthakki VK, Sharma M, Bharate SS, Gandhi SG, Mondhe DM, Bhushan S, Vishwakarma RA.: Discovery and Preclinical Development of IIIM-290, an Orally Active Potent Cyclin-Dependent Kinase Inhibitor. J Med Chem, Volume 61 (4), 2018 J Med Chem 2018 29370702
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Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S,...
Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.
Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.: Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg Med Chem Lett, Volume 27 (21), 2017 Bioorg Med Chem Lett 2017 28947151
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Bhuniya D, Bhosale S, Reddy SB, Reddy SN.
Bhuniya D, Bhosale S, Reddy SB, Reddy SN.
Isoxazole-tethered diarylheptanoid analogs: Discovery of a new drug-like PAR2 antagonist. Bhuniya D, Bhosale S, Reddy SB, Reddy SN.: Isoxazole-tethered diarylheptanoid analogs: Discovery of a new drug-like PAR2 antagonist. Bioorg Med Chem Lett, Volume 28 (13), 2018 Bioorg Med Chem Lett 2018 29798827
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Biegel A, Gebauer S, Hartrodt B, Brandsch M, Neubert K,...
Biegel A, Gebauer S, Hartrodt B, Brandsch M, Neubert K, Thondorf I.
Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as... Biegel A, Gebauer S, Hartrodt B, Brandsch M, Neubert K, Thondorf I.: Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as substrates of the mammalian H+/peptide cotransporter PEPT1. J Med Chem, Volume 48 (13), 2005 J Med Chem 2005 15974593
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Biftu T, Sinha-Roy R, Chen P, Qian X, Feng D, Kuethe JT,...
Biftu T, Sinha-Roy R, Chen P, Qian X, Feng D, Kuethe JT, Scapin G, Gao YD, Yan Y, Krueger D, Bak A, Eiermann G, He J, Cox J, Hicks J, Lyons K, He H, Salituro G, Tong S, Patel S, Doss G, Petrov A, Wu J, Xu SS, Sewall C, Zhang X, Zhang B, Thornberry NA, Weber AE.
Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes. Biftu T, Sinha-Roy R, Chen P, Qian X, Feng D, Kuethe JT, Scapin G, Gao YD, Yan Y, Krueger D, Bak A, Eiermann G, He J, Cox J, Hicks J, Lyons K, He H, Salituro G, Tong S, Patel S, Doss G, Petrov A, Wu J, Xu SS, Sewall C, Zhang X, Zhang B, Thornberry NA, Weber AE.: Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes. J Med Chem, Volume 57 (8), 2014 J Med Chem 2014 24660890
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Billamboz M, Suchaud V, Bailly F, Lion C, Demeulemeester J,...
Billamboz M, Suchaud V, Bailly F, Lion C, Demeulemeester J, Calmels C, Andréola ML, Christ F, Debyser Z, Cotelle P.
4-Substituted 2-Hydroxyisoquinoline-1,3(2H,4H)-diones as a Novel Class of HIV-1 Integrase Inhibitors. Billamboz M, Suchaud V, Bailly F, Lion C, Demeulemeester J, Calmels C, Andréola ML, Christ F, Debyser Z, Cotelle P.: 4-Substituted 2-Hydroxyisoquinoline-1,3(2H,4H)-diones as a Novel Class of HIV-1 Integrase Inhibitors. ACS Med Chem Lett, Volume 4 (7), 2013 ACS Med Chem Lett 2013 24900718
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Bilodeau F, Bailey MD, Bhardwaj PK, Bordeleau J, Forgione...
Bilodeau F, Bailey MD, Bhardwaj PK, Bordeleau J, Forgione P, Garneau M, Ghiro E, Gorys V, Halmos T, Jolicoeur ES, Leblanc M, Lemke CT, Naud J, O'Meara J, White PW, Llinàs-Brunet M.
Synthesis and optimization of a novel series of HCV NS3 protease inhibitors: 4-arylproline analogs. Bilodeau F, Bailey MD, Bhardwaj PK, Bordeleau J, Forgione P, Garneau M, Ghiro E, Gorys V, Halmos T, Jolicoeur ES, Leblanc M, Lemke CT, Naud J, O'Meara J, White PW, Llinàs-Brunet M.: Synthesis and optimization of a novel series of HCV NS3 protease inhibitors: 4-arylproline analogs. Bioorg Med Chem Lett, Volume 23 (14), 2013 Bioorg Med Chem Lett 2013 23735741
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Birch AM, Birtles S, Buckett LK, Kemmitt PD, Smith GJ,...
Birch AM, Birtles S, Buckett LK, Kemmitt PD, Smith GJ, Smith TJ, Turnbull AV, Wang SJ.
Discovery of a potent, selective, and orally efficacious pyrimidinooxazinyl bicyclooctaneacetic acid diacylglycerol... Birch AM, Birtles S, Buckett LK, Kemmitt PD, Smith GJ, Smith TJ, Turnbull AV, Wang SJ.: Discovery of a potent, selective, and orally efficacious pyrimidinooxazinyl bicyclooctaneacetic acid diacylglycerol acyltransferase-1 inhibitor. J Med Chem, Volume 52 (6), 2009 J Med Chem 2009 19256504
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Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield...
Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.
Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007 Bioorg Med Chem Lett 2007 17095214
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Bittermann K, Goss KU.
Bittermann K, Goss KU.
Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. Bittermann K, Goss KU.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. PLoS One, Volume 12 (12), e0190319, 2017 PLoS One 2017 29281711
Total substances: 148
Total passive interactions: 148
Total active interactions: 0
Blaazer AR, Lange JH, van der Neut MA, Mulder A, den Boon...
Blaazer AR, Lange JH, van der Neut MA, Mulder A, den Boon FS, Werkman TR, Kruse CG, Wadman WJ.
Novel indole and azaindole (pyrrolopyridine) cannabinoid (CB) receptor agonists: design, synthesis, structure-activity... Blaazer AR, Lange JH, van der Neut MA, Mulder A, den Boon FS, Werkman TR, Kruse CG, Wadman WJ.: Novel indole and azaindole (pyrrolopyridine) cannabinoid (CB) receptor agonists: design, synthesis, structure-activity relationships, physicochemical properties and biological activity. Eur J Med Chem, Volume 46 (10), 2011 Eur J Med Chem 2011 21885167
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Blackburn C, Barrett C, Brunson M, Chin J, England D,...
Blackburn C, Barrett C, Brunson M, Chin J, England D, Garcia K, Gigstad K, Gould A, Gutierrez J, Hoar K, Rowland RS, Tsu C, Ringeling J, Wager K, Xu H.
Histone deacetylase inhibitors derived from 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine and related heterocycles... Blackburn C, Barrett C, Brunson M, Chin J, England D, Garcia K, Gigstad K, Gould A, Gutierrez J, Hoar K, Rowland RS, Tsu C, Ringeling J, Wager K, Xu H.: Histone deacetylase inhibitors derived from 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine and related heterocycles selective for the HDAC6 isoform. Bioorg Med Chem Lett, Volume 24 (23), 2014 Bioorg Med Chem Lett 2014 25454270
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Blackburn C, Barrett C, Chin J, Garcia K, Gigstad K, Gould...
Blackburn C, Barrett C, Chin J, Garcia K, Gigstad K, Gould A, Gutierrez J, Harrison S, Hoar K, Lynch C, Rowland RS, Tsu C, Ringeling J, Xu H.
Potent histone deacetylase inhibitors derived from 4-(aminomethyl)-N-hydroxybenzamide with high selectivity for the... Blackburn C, Barrett C, Chin J, Garcia K, Gigstad K, Gould A, Gutierrez J, Harrison S, Hoar K, Lynch C, Rowland RS, Tsu C, Ringeling J, Xu H.: Potent histone deacetylase inhibitors derived from 4-(aminomethyl)-N-hydroxybenzamide with high selectivity for the HDAC6 isoform. J Med Chem, Volume 56 (18), 2013 J Med Chem 2013 23964961
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Blagg J, Allerton CM, Batchelor DV, Baxter AD, Burring DJ,...
Blagg J, Allerton CM, Batchelor DV, Baxter AD, Burring DJ, Carr CL, Cook AS, Nichols CL, Phipps J, Sanderson VG, Verrier H, Wong S.
Design and synthesis of a functionally selective D3 agonist and its in vivo delivery via the intranasal route. Blagg J, Allerton CM, Batchelor DV, Baxter AD, Burring DJ, Carr CL, Cook AS, Nichols CL, Phipps J, Sanderson VG, Verrier H, Wong S.: Design and synthesis of a functionally selective D3 agonist and its in vivo delivery via the intranasal route. Bioorg Med Chem Lett, Volume 17 (24), 2007 Bioorg Med Chem Lett 2007 17976986
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Blake JF, Burkard M, Chan J, Chen H, Chou KJ, Diaz D,...
Blake JF, Burkard M, Chan J, Chen H, Chou KJ, Diaz D, Dudley DA, Gaudino JJ, Gould SE, Grina J, Hunsaker T, Liu L, Martinson M, Moreno D, Mueller L, Orr C, Pacheco P, Qin A, Rasor K, Ren L, Robarge K, Shahidi-Latham S, Stults J, Sullivan F, Wang W, Yin J, Zhou A, Belvin M, Merchant M, Moffat J, Schwarz JB.
Discovery of... Blake JF, Burkard M, Chan J, Chen H, Chou KJ, Diaz D, Dudley DA, Gaudino JJ, Gould SE, Grina J, Hunsaker T, Liu L, Martinson M, Moreno D, Mueller L, Orr C, Pacheco P, Qin A, Rasor K, Ren L, Robarge K, Shahidi-Latham S, Stults J, Sullivan F, Wang W, Yin J, Zhou A, Belvin M, Merchant M, Moffat J, Schwarz JB.: Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J Med Chem, Volume 59 (12), 2016 J Med Chem 2016 27227380
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Blake JF, Kallan NC, Xiao D, Xu R, Bencsik JR, Skelton NJ,...
Blake JF, Kallan NC, Xiao D, Xu R, Bencsik JR, Skelton NJ, Spencer KL, Mitchell IS, Woessner RD, Gloor SL, Risom T, Gross SD, Martinson M, Morales TH, Vigers GP, Brandhuber BJ.
Discovery of pyrrolopyrimidine inhibitors of Akt. Blake JF, Kallan NC, Xiao D, Xu R, Bencsik JR, Skelton NJ, Spencer KL, Mitchell IS, Woessner RD, Gloor SL, Risom T, Gross SD, Martinson M, Morales TH, Vigers GP, Brandhuber BJ.: Discovery of pyrrolopyrimidine inhibitors of Akt. Bioorg Med Chem Lett, Volume 20 (19), 2010 Bioorg Med Chem Lett 2010 20810279
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Blake JF, Xu R, Bencsik JR, Xiao D, Kallan NC, Schlachter...
Blake JF, Xu R, Bencsik JR, Xiao D, Kallan NC, Schlachter S, Mitchell IS, Spencer KL, Banka AL, Wallace EM, Gloor SL, Martinson M, Woessner RD, Vigers GP, Brandhuber BJ, Liang J, Safina BS, Li J, Zhang B, Chabot C, Do S, Lee L, Oeh J, Sampath D, Lee BB, Lin K, Liederer BM, Skelton NJ.
Discovery and preclinical pharmacology of a selective ATP-competitive Akt inhibitor (GDC-0068) for the treatment of... Blake JF, Xu R, Bencsik JR, Xiao D, Kallan NC, Schlachter S, Mitchell IS, Spencer KL, Banka AL, Wallace EM, Gloor SL, Martinson M, Woessner RD, Vigers GP, Brandhuber BJ, Liang J, Safina BS, Li J, Zhang B, Chabot C, Do S, Lee L, Oeh J, Sampath D, Lee BB, Lin K, Liederer BM, Skelton NJ.: Discovery and preclinical pharmacology of a selective ATP-competitive Akt inhibitor (GDC-0068) for the treatment of human tumors. J Med Chem, Volume 55 (18), 2012 J Med Chem 2012 22934575
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Blanchard S, Soh CK, Lee CP, Poulsen A, Bonday Z, Goh KL,...
Blanchard S, Soh CK, Lee CP, Poulsen A, Bonday Z, Goh KL, Goh KC, Goh MK, Pasha MK, Wang H, Williams M, Wood JM, Ethirajulu K, Dymock BW.
2-anilino-4-aryl-8H-purine derivatives as inhibitors of PDK1. Blanchard S, Soh CK, Lee CP, Poulsen A, Bonday Z, Goh KL, Goh KC, Goh MK, Pasha MK, Wang H, Williams M, Wood JM, Ethirajulu K, Dymock BW.: 2-anilino-4-aryl-8H-purine derivatives as inhibitors of PDK1. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22437109
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Blanchfield JT, Dutton JL, Hogg RC, Gallagher OP, Craik DJ,...
Blanchfield JT, Dutton JL, Hogg RC, Gallagher OP, Craik DJ, Jones A, Adams DJ, Lewis RJ, Alewood PF, Toth I.
Synthesis, structure elucidation, in vitro biological activity, toxicity, and Caco-2 cell permeability of lipophilic... Blanchfield JT, Dutton JL, Hogg RC, Gallagher OP, Craik DJ, Jones A, Adams DJ, Lewis RJ, Alewood PF, Toth I.: Synthesis, structure elucidation, in vitro biological activity, toxicity, and Caco-2 cell permeability of lipophilic analogues of alpha-conotoxin MII. J Med Chem, Volume 46 (7), 2003 J Med Chem 2003 12646037
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Blaquiere N, Castanedo GM, Burch JD, Berezhkovskiy LM,...
Blaquiere N, Castanedo GM, Burch JD, Berezhkovskiy LM, Brightbill H, Brown S, Chan C, Chiang PC, Crawford JJ, Dong T, Fan P, Feng J, Ghilardi N, Godemann R, Gogol E, Grabbe A, Hole AJ, Hu B, Hymowitz SG, Alaoui Ismaili MH, Le H, Lee P, Lee W, Lin X, Liu N, McEwan PA, McKenzie B, Silvestre HL, Suto E, Sujatha-Bhaskar S, Wu G, Wu LC, Zhang Y, Zhong Z, Staben ST.
Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-κB Inducing Kinase. Blaquiere N, Castanedo GM, Burch JD, Berezhkovskiy LM, Brightbill H, Brown S, Chan C, Chiang PC, Crawford JJ, Dong T, Fan P, Feng J, Ghilardi N, Godemann R, Gogol E, Grabbe A, Hole AJ, Hu B, Hymowitz SG, Alaoui Ismaili MH, Le H, Lee P, Lee W, Lin X, Liu N, McEwan PA, McKenzie B, Silvestre HL, Suto E, Sujatha-Bhaskar S, Wu G, Wu LC, Zhang Y, Zhong Z, Staben ST.: Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-κB Inducing Kinase. J Med Chem, Volume 61 (15), 2018 J Med Chem 2018 29940120
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Blass BE, Fensome A, Trybulski E, Magolda R, Gardell SJ,...
Blass BE, Fensome A, Trybulski E, Magolda R, Gardell SJ, Liu K, Samuel M, Feingold I, Huselton C, Jackson CM, Djandjighian L, Ho D, Hennan J, Janusz JM.
Selective Kv1.5 blockers: development of... Blass BE, Fensome A, Trybulski E, Magolda R, Gardell SJ, Liu K, Samuel M, Feingold I, Huselton C, Jackson CM, Djandjighian L, Ho D, Hennan J, Janusz JM.: Selective Kv1.5 blockers: development of (R)-1-(methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)-2-imidazolidinone (KVI-020/WYE-160020) as a potential treatment for atrial arrhythmia. J Med Chem, Volume 52 (21), 2009 J Med Chem 2009 19888755
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Blomgren P, Chandrasekhar J, Di Paolo JA, Fung W, Geng G,...
Blomgren P, Chandrasekhar J, Di Paolo JA, Fung W, Geng G, Ip C, Jones R, Kropf JE, Lansdon EB, Lee S, Lo JR, Mitchell SA, Murray B, Pohlmeyer C, Schmitt A, Suekawa-Pirrone K, Wise S, Xiong JM, Xu J, Yu H, Zhao Z, Currie KS.
Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases. Blomgren P, Chandrasekhar J, Di Paolo JA, Fung W, Geng G, Ip C, Jones R, Kropf JE, Lansdon EB, Lee S, Lo JR, Mitchell SA, Murray B, Pohlmeyer C, Schmitt A, Suekawa-Pirrone K, Wise S, Xiong JM, Xu J, Yu H, Zhao Z, Currie KS.: Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases. ACS Med Chem Lett, Volume 11 (4), 2020 ACS Med Chem Lett 2020 32292557
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Blum CA, Caldwell T, Zheng X, Bakthavatchalam R, Capitosti...
Blum CA, Caldwell T, Zheng X, Bakthavatchalam R, Capitosti S, Brielmann H, De Lombaert S, Kershaw MT, Matson D, Krause JE, Cortright D, Crandall M, Martin WJ, Murphy BA, Boyce S, Jones AB, Mason G, Rycroft W, Perrett H, Conley R, Burnaby-Davies N, Chenard BL, Hodgetts KJ.
Discovery of novel 6,6-heterocycles as transient receptor potential vanilloid (TRPV1) antagonists. Blum CA, Caldwell T, Zheng X, Bakthavatchalam R, Capitosti S, Brielmann H, De Lombaert S, Kershaw MT, Matson D, Krause JE, Cortright D, Crandall M, Martin WJ, Murphy BA, Boyce S, Jones AB, Mason G, Rycroft W, Perrett H, Conley R, Burnaby-Davies N, Chenard BL, Hodgetts KJ.: Discovery of novel 6,6-heterocycles as transient receptor potential vanilloid (TRPV1) antagonists. J Med Chem, Volume 53 (8), 2010 J Med Chem 2010 20307063
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Bochain A, Estey L, Haronian G, Reale M, Rojas C, Cramer J.
Bochain A, Estey L, Haronian G, Reale M, Rojas C, Cramer J.
Determination of catecholamine permeability coefficients for passive diffusion across phospholipid vesicle membranes. Bochain A, Estey L, Haronian G, Reale M, Rojas C, Cramer J.: Determination of catecholamine permeability coefficients for passive diffusion across phospholipid vesicle membranes. J Membr Biol, Volume 60 (1), 1981 J Membr Biol 1981 7241583
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Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund...
Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.
Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired... Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015 J Med Chem 2015 25950816
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Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V,...
Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.
Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive... Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015 J Med Chem 2015 26308180
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Boehm M, Hepworth D, Loria PM, Norquay LD, Filipski KJ,...
Boehm M, Hepworth D, Loria PM, Norquay LD, Filipski KJ, Chin JE, Cameron KO, Brenner M, Bonnette P, Cabral S, Conn E, Ebner DC, Gautreau D, Hadcock J, Lee EC, Mathiowetz AM, Morin M, Rogers L, Smith A, VanVolkenburg M, Carpino PA.
Chemical Probe Identification Platform for Orphan GPCRs Using Focused Compound Screening: GPR39 as a Case Example. Boehm M, Hepworth D, Loria PM, Norquay LD, Filipski KJ, Chin JE, Cameron KO, Brenner M, Bonnette P, Cabral S, Conn E, Ebner DC, Gautreau D, Hadcock J, Lee EC, Mathiowetz AM, Morin M, Rogers L, Smith A, VanVolkenburg M, Carpino PA.: Chemical Probe Identification Platform for Orphan GPCRs Using Focused Compound Screening: GPR39 as a Case Example. ACS Med Chem Lett, Volume 4 (11), 2013 ACS Med Chem Lett 2013 24900608
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Boffey HK, Rooney TPC, Willems HMG, Edwards S, Green C,...
Boffey HK, Rooney TPC, Willems HMG, Edwards S, Green C, Howard T, Ogg D, Romero T, Scott DE, Winpenny D, Duce J, Skidmore J, Clarke JH, Andrews SP.
Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase γ Inhibitors with a Non-ATP-competitive, Allosteric... Boffey HK, Rooney TPC, Willems HMG, Edwards S, Green C, Howard T, Ogg D, Romero T, Scott DE, Winpenny D, Duce J, Skidmore J, Clarke JH, Andrews SP.: Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase γ Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode. J Med Chem, Volume 65 (4), 2022 J Med Chem 2022 35148092
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Boga SB, Alhassan AB, Cooper AB, Doll R, Shih NY, Shipps G,...
Boga SB, Alhassan AB, Cooper AB, Doll R, Shih NY, Shipps G, Deng Y, Zhu H, Nan Y, Sun R, Zhu L, Desai J, Patel M, Muppalla K, Gao X, Wang J, Yao X, Kelly J, Gudipati S, Paliwal S, Tsui HC, Wang T, Sherborne B, Xiao L, Hruza A, Buevich A, Zhang LK, Hesk D, Samatar AA, Carr D, Long B, Black S, Dayananth P, Windsor W, Kirschmeier P, Bishop R.
Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Boga SB, Alhassan AB, Cooper AB, Doll R, Shih NY, Shipps G, Deng Y, Zhu H, Nan Y, Sun R, Zhu L, Desai J, Patel M, Muppalla K, Gao X, Wang J, Yao X, Kelly J, Gudipati S, Paliwal S, Tsui HC, Wang T, Sherborne B, Xiao L, Hruza A, Buevich A, Zhang LK, Hesk D, Samatar AA, Carr D, Long B, Black S, Dayananth P, Windsor W, Kirschmeier P, Bishop R.: Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg Med Chem Lett, Volume 28 (11), 2018 Bioorg Med Chem Lett 2018 29748051
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Boga SB, Deng Y, Zhu L, Nan Y, Cooper AB, Shipps GW, Doll...
Boga SB, Deng Y, Zhu L, Nan Y, Cooper AB, Shipps GW, Doll R, Shih NY, Zhu H, Sun R, Wang T, Paliwal S, Tsui HC, Gao X, Yao X, Desai J, Wang J, Alhassan AB, Kelly J, Patel M, Muppalla K, Gudipati S, Zhang LK, Buevich A, Hesk D, Carr D, Dayananth P, Black S, Mei H, Cox K, Sherborne B, Hruza AW, Xiao L, Jin W, Long B, Liu G, Taylor SA, Kirschmeier P, Windsor WT, Bishop R, Samatar AA.
MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. Boga SB, Deng Y, Zhu L, Nan Y, Cooper AB, Shipps GW, Doll R, Shih NY, Zhu H, Sun R, Wang T, Paliwal S, Tsui HC, Gao X, Yao X, Desai J, Wang J, Alhassan AB, Kelly J, Patel M, Muppalla K, Gudipati S, Zhang LK, Buevich A, Hesk D, Carr D, Dayananth P, Black S, Mei H, Cox K, Sherborne B, Hruza AW, Xiao L, Jin W, Long B, Liu G, Taylor SA, Kirschmeier P, Windsor WT, Bishop R, Samatar AA.: MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, Volume 9 (7), 2018 ACS Med Chem Lett 2018 30034615
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Bogen SL, Pan W, Gibeau CR, Lahue BR, Ma Y, Nair LG, Seigel...
Bogen SL, Pan W, Gibeau CR, Lahue BR, Ma Y, Nair LG, Seigel E, Shipps GW, Tian Y, Wang Y, Lin Y, Liu M, Liu S, Mirza A, Wang X, Lipari P, Seidel-Dugan C, Hicklin DJ, Bishop WR, Rindgen D, Nomeir A, Prosise W, Reichert P, Scapin G, Strickland C, Doll RJ.
Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Bogen SL, Pan W, Gibeau CR, Lahue BR, Ma Y, Nair LG, Seigel E, Shipps GW, Tian Y, Wang Y, Lin Y, Liu M, Liu S, Mirza A, Wang X, Lipari P, Seidel-Dugan C, Hicklin DJ, Bishop WR, Rindgen D, Nomeir A, Prosise W, Reichert P, Scapin G, Strickland C, Doll RJ.: Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. ACS Med Chem Lett, Volume 7 (3), 2016 ACS Med Chem Lett 2016 26985323
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Bokesch HR, Cartner LK, Fuller RW, Wilson JA, Henrich CJ,...
Bokesch HR, Cartner LK, Fuller RW, Wilson JA, Henrich CJ, Kelley JA, Gustafson KR, McMahon JB, McKee TC.
Inhibition of ABCG2-mediated drug efflux by naphthopyrones from marine crinoids. Bokesch HR, Cartner LK, Fuller RW, Wilson JA, Henrich CJ, Kelley JA, Gustafson KR, McMahon JB, McKee TC.: Inhibition of ABCG2-mediated drug efflux by naphthopyrones from marine crinoids. Bioorg Med Chem Lett, Volume 20 (13), 2010 Bioorg Med Chem Lett 2010 20627559
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Boland S, Alen J, Bourin A, Castermans K, Boumans N,...
Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.
Novel Roflumilast analogs as soft PDE4 inhibitors. Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014 Bioorg Med Chem Lett 2014 25149511
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Boland S, Bourin A, Alen J, Geraets J, Schroeders P,...
Boland S, Bourin A, Alen J, Geraets J, Schroeders P, Castermans K, Kindt N, Boumans N, Panitti L, Fransen S, Vanormelingen J, Stassen JM, Leysen D, Defert O.
Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors. Boland S, Bourin A, Alen J, Geraets J, Schroeders P, Castermans K, Kindt N, Boumans N, Panitti L, Fransen S, Vanormelingen J, Stassen JM, Leysen D, Defert O.: Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors. J Med Chem, Volume 58 (10), 2015 J Med Chem 2015 25898023
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Boldron C, Besse A, Bordes MF, Tissandié S, Yvon X, Gau B,...
Boldron C, Besse A, Bordes MF, Tissandié S, Yvon X, Gau B, Badorc A, Rousseaux T, Barré G, Meneyrol J, Zech G, Nazare M, Fossey V, Pflieger AM, Bonnet-Lignon S, Millet L, Briot C, Dol F, Hérault JP, Savi P, Lassalle G, Delesque N, Herbert JM, Bono F.
N-[6-(4-butanoyl-5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indole-3... Boldron C, Besse A, Bordes MF, Tissandié S, Yvon X, Gau B, Badorc A, Rousseaux T, Barré G, Meneyrol J, Zech G, Nazare M, Fossey V, Pflieger AM, Bonnet-Lignon S, Millet L, Briot C, Dol F, Hérault JP, Savi P, Lassalle G, Delesque N, Herbert JM, Bono F.: N-[6-(4-butanoyl-5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indole-3-carboxamide (SAR216471), a novel intravenous and oral, reversible, and directly acting P2Y12 antagonist. J Med Chem, Volume 57 (17), 2014 J Med Chem 2014 25075638
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Bollinger M, Manzenrieder F, Kolb R, Bochen A, Neubauer S,...
Bollinger M, Manzenrieder F, Kolb R, Bochen A, Neubauer S, Marinelli L, Limongelli V, Novellino E, Moessmer G, Pell R, Lindner W, Fanous J, Hoffman A, Kessler H.
Tailoring of integrin ligands: probing the charge capability of the metal ion-dependent adhesion site. Bollinger M, Manzenrieder F, Kolb R, Bochen A, Neubauer S, Marinelli L, Limongelli V, Novellino E, Moessmer G, Pell R, Lindner W, Fanous J, Hoffman A, Kessler H.: Tailoring of integrin ligands: probing the charge capability of the metal ion-dependent adhesion site. J Med Chem, Volume 55 (2), 2012 J Med Chem 2012 22185640
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Bollinger SR, Engers DW, Panarese JD, West M, Engers JL,...
Bollinger SR, Engers DW, Panarese JD, West M, Engers JL, Loch MT, Rodriguez AL, Blobaum AL, Jones CK, Thompson Gray A, Conn PJ, Lindsley CW, Niswender CM, Hopkins CR.
Discovery, Structure-Activity Relationship, and Biological Characterization of a Novel Series of 6-((1 H-Pyrazolo[4,3-... Bollinger SR, Engers DW, Panarese JD, West M, Engers JL, Loch MT, Rodriguez AL, Blobaum AL, Jones CK, Thompson Gray A, Conn PJ, Lindsley CW, Niswender CM, Hopkins CR.: Discovery, Structure-Activity Relationship, and Biological Characterization of a Novel Series of 6-((1 H-Pyrazolo[4,3- b]pyridin-3-yl)amino)-benzo[ d]isothiazole-3-carboxamides as Positive Allosteric Modulators of the Metabotropic Glutamate Receptor 4 (mGlu4). J Med Chem, Volume 62 (1), 2019 J Med Chem 2019 30247901
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Bononi G, Di Stefano M, Poli G, Ortore G, Meier P, Masetto...
Bononi G, Di Stefano M, Poli G, Ortore G, Meier P, Masetto F, Caligiuri I, Rizzolio F, Macchia M, Chicca A, Avan A, Giovannetti E, Vagaggini C, Brai A, Dreassi E, Valoti M, Minutolo F, Granchi C, Gertsch J, Tuccinardi T.
Reversible Monoacylglycerol Lipase Inhibitors: Discovery of a New Class of Benzylpiperidine Derivatives. Bononi G, Di Stefano M, Poli G, Ortore G, Meier P, Masetto F, Caligiuri I, Rizzolio F, Macchia M, Chicca A, Avan A, Giovannetti E, Vagaggini C, Brai A, Dreassi E, Valoti M, Minutolo F, Granchi C, Gertsch J, Tuccinardi T.: Reversible Monoacylglycerol Lipase Inhibitors: Discovery of a New Class of Benzylpiperidine Derivatives. J Med Chem, Volume 65 (10), 2022 J Med Chem 2022 35522977
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Borden LA, Murali Dhar TG, Smith KE, Weinshank RL, Branchek...
Borden LA, Murali Dhar TG, Smith KE, Weinshank RL, Branchek TA, Gluchowski C.
Tiagabine, SK&F 89976-A, CI-966, and NNC-711 are selective for the cloned GABA transporter GAT-1. Borden LA, Murali Dhar TG, Smith KE, Weinshank RL, Branchek TA, Gluchowski C.: Tiagabine, SK&F 89976-A, CI-966, and NNC-711 are selective for the cloned GABA transporter GAT-1. Eur J Pharmacol, Volume 269 (2), 1994 Eur J Pharmacol 1994 7851497
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Borgnia MJ, Eytan GD, Assaraf YG.
Borgnia MJ, Eytan GD, Assaraf YG.
Competition of hydrophobic peptides, cytotoxic drugs, and chemosensitizers on a common P-glycoprotein pharmacophore as... Borgnia MJ, Eytan GD, Assaraf YG.: Competition of hydrophobic peptides, cytotoxic drugs, and chemosensitizers on a common P-glycoprotein pharmacophore as revealed by its ATPase activity. J Biol Chem, Volume 271 (6), 1996 J Biol Chem 1996 8621716
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Borková L, Frydrych I, Jakubcová N, Adámek R, Lišková...
Borková L, Frydrych I, Jakubcová N, Adámek R, Lišková B, Gurská S, Medvedíková M, Hajdúch M, Urban M.
Synthesis and biological evaluation of triterpenoid thiazoles derived from betulonic acid, dihydrobetulonic acid, and... Borková L, Frydrych I, Jakubcová N, Adámek R, Lišková B, Gurská S, Medvedíková M, Hajdúch M, Urban M.: Synthesis and biological evaluation of triterpenoid thiazoles derived from betulonic acid, dihydrobetulonic acid, and ursonic acid. Eur J Med Chem, Volume 185, 2020 Eur J Med Chem 2020 31677446
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Borrel MN, Fiallo M, Priebe W, Garnier-Suillerot A.
Borrel MN, Fiallo M, Priebe W, Garnier-Suillerot A.
P-glycoprotein-mediated efflux of hydroxyrubicin, a neutral anthracycline derivative, in resistant K562 cells. Borrel MN, Fiallo M, Priebe W, Garnier-Suillerot A.: P-glycoprotein-mediated efflux of hydroxyrubicin, a neutral anthracycline derivative, in resistant K562 cells. FEBS Lett, Volume 356 (2-3), 1994 FEBS Lett 1994 7805856
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Borsari C, Rageot D, Beaufils F, Bohnacker T, Keles E,...
Borsari C, Rageot D, Beaufils F, Bohnacker T, Keles E, Buslov I, Melone A, Sele AM, Hebeisen P, Fabbro D, Hillmann P, Wymann MP.
Preclinical Development of PQR514, a Highly Potent PI3K Inhibitor Bearing a Difluoromethyl-Pyrimidine Moiety. Borsari C, Rageot D, Beaufils F, Bohnacker T, Keles E, Buslov I, Melone A, Sele AM, Hebeisen P, Fabbro D, Hillmann P, Wymann MP.: Preclinical Development of PQR514, a Highly Potent PI3K Inhibitor Bearing a Difluoromethyl-Pyrimidine Moiety. ACS Med Chem Lett, Volume 10 (10), 2019 ACS Med Chem Lett 2019 31620236
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Borsoi AF, Alice LM, Sperotto N, Ramos AS, Abbadi BL,...
Borsoi AF, Alice LM, Sperotto N, Ramos AS, Abbadi BL, Macchi Hopf FS, Silva Dadda AD, Rambo RS, Madeira Silva RB, Paz JD, Pissinate K, Muniz MN, Neves CE, Galina L, González LC, Perelló MA, de Matos Czeczot A, Leyser M, de Oliveira SD, de Araújo Lock G, de Araújo BV, Costa TD, Bizarro CV, Basso LA, Machado P.
Antitubercular Activity of Novel 2-(Quinoline-4-yloxy)acetamides with Improved Drug-Like Properties. Borsoi AF, Alice LM, Sperotto N, Ramos AS, Abbadi BL, Macchi Hopf FS, Silva Dadda AD, Rambo RS, Madeira Silva RB, Paz JD, Pissinate K, Muniz MN, Neves CE, Galina L, González LC, Perelló MA, de Matos Czeczot A, Leyser M, de Oliveira SD, de Araújo Lock G, de Araújo BV, Costa TD, Bizarro CV, Basso LA, Machado P.: Antitubercular Activity of Novel 2-(Quinoline-4-yloxy)acetamides with Improved Drug-Like Properties. ACS Med Chem Lett, Volume 13 (8), 2022 ACS Med Chem Lett 2022 35978694
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Boschelli DH, Barrios Sosa AC, Golas JM, Boschelli F.
Boschelli DH, Barrios Sosa AC, Golas JM, Boschelli F.
Inhibition of Src kinase activity by 7-ethynyl-4-phenylamino-3-quinolinecarbonitriles: identification of SKS-927. Boschelli DH, Barrios Sosa AC, Golas JM, Boschelli F.: Inhibition of Src kinase activity by 7-ethynyl-4-phenylamino-3-quinolinecarbonitriles: identification of SKS-927. Bioorg Med Chem Lett, Volume 17 (5), 2007 Bioorg Med Chem Lett 2007 17188862
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Boschelli DH, Subrath J, Niu C, Wu B, Wang Y, Lee J,...
Boschelli DH, Subrath J, Niu C, Wu B, Wang Y, Lee J, Brennan A, Ho M, Deng B, Yang X, Xu X, Leung L, Wang J, Atherton J, Chaudhary D.
Optimization of 5-vinylaryl-3-pyridinecarbonitriles as PKCtheta inhibitors. Boschelli DH, Subrath J, Niu C, Wu B, Wang Y, Lee J, Brennan A, Ho M, Deng B, Yang X, Xu X, Leung L, Wang J, Atherton J, Chaudhary D.: Optimization of 5-vinylaryl-3-pyridinecarbonitriles as PKCtheta inhibitors. Bioorg Med Chem Lett, Volume 20 (6), 2010 Bioorg Med Chem Lett 2010 20153643
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Boschelli DH, Wang D, Prashad AS, Subrath J, Wu B, Niu C,...
Boschelli DH, Wang D, Prashad AS, Subrath J, Wu B, Niu C, Lee J, Yang X, Brennan A, Chaudhary D.
Optimization of 5-phenyl-3-pyridinecarbonitriles as PKCtheta inhibitors. Boschelli DH, Wang D, Prashad AS, Subrath J, Wu B, Niu C, Lee J, Yang X, Brennan A, Chaudhary D.: Optimization of 5-phenyl-3-pyridinecarbonitriles as PKCtheta inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009 Bioorg Med Chem Lett 2009 19447612
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Boschelli DH, Wu B, Barrios Sosa AC, Chen J, Asselin M,...
Boschelli DH, Wu B, Barrios Sosa AC, Chen J, Asselin M, Cole DC, Lee J, Yang X, Chaudhary D.
Synthesis and PKCtheta inhibitory activity of a series of 4-(indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitriles. Boschelli DH, Wu B, Barrios Sosa AC, Chen J, Asselin M, Cole DC, Lee J, Yang X, Chaudhary D.: Synthesis and PKCtheta inhibitory activity of a series of 4-(indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitriles. Bioorg Med Chem Lett, Volume 18 (9), 2008 Bioorg Med Chem Lett 2008 18434148
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Boschelli DH, Wu B, Ye F, Durutlic H, Golas JM, Lucas J,...
Boschelli DH, Wu B, Ye F, Durutlic H, Golas JM, Lucas J, Boschelli F.
Facile preparation of new 4-phenylamino-3-quinolinecarbonitrile Src kinase inhibitors via 7-fluoro intermediates:... Boschelli DH, Wu B, Ye F, Durutlic H, Golas JM, Lucas J, Boschelli F.: Facile preparation of new 4-phenylamino-3-quinolinecarbonitrile Src kinase inhibitors via 7-fluoro intermediates: identification of potent 7-amino analogs. Bioorg Med Chem, Volume 16 (1), 2008 Bioorg Med Chem 2008 17905586
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Boschelli DH, Wu B, Ye F, Wang Y, Golas JM, Lucas J,...
Boschelli DH, Wu B, Ye F, Wang Y, Golas JM, Lucas J, Boschelli F.
Synthesis and Src kinase inhibitory activity of a series of... Boschelli DH, Wu B, Ye F, Wang Y, Golas JM, Lucas J, Boschelli F.: Synthesis and Src kinase inhibitory activity of a series of 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-furyl-3-quinolinecarbonitriles. J Med Chem, Volume 49 (26), 2006 J Med Chem 2006 17181170
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Bossu A, Houtman MJC, Meijborg VMF, Varkevisser R, Beekman...
Bossu A, Houtman MJC, Meijborg VMF, Varkevisser R, Beekman HDM, Dunnink A, de Bakker JMT, Mollova N, Rajamani S, Belardinelli L, van der Heyden MAG, Vos MA.
Selective late sodium current inhibitor GS-458967 suppresses Torsades de Pointes by mostly affecting perpetuation but... Bossu A, Houtman MJC, Meijborg VMF, Varkevisser R, Beekman HDM, Dunnink A, de Bakker JMT, Mollova N, Rajamani S, Belardinelli L, van der Heyden MAG, Vos MA.: Selective late sodium current inhibitor GS-458967 suppresses Torsades de Pointes by mostly affecting perpetuation but not initiation of the arrhythmia. Br J Pharmacol, Volume 175 (12), 2018 Br J Pharmacol 2018 29582428
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Bossuyt X, Müller M, Meier PJ.
Bossuyt X, Müller M, Meier PJ.
Multispecific amphipathic substrate transport by an organic anion transporter of human liver. Bossuyt X, Müller M, Meier PJ.: Multispecific amphipathic substrate transport by an organic anion transporter of human liver. J Hepatol, Volume 25 (5), 1996 J Hepatol 1996 8938553
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Boström J.
Boström J.
Symmetric kv1.5 blockers discovered by focused screening. Boström J.: Symmetric kv1.5 blockers discovered by focused screening. ACS Med Chem Lett, Volume 3 (9), 2012 ACS Med Chem Lett 2012 24900546
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Botta L, Maccari G, Calandro P, Tiberi M, Brai A, Zamperini...
Botta L, Maccari G, Calandro P, Tiberi M, Brai A, Zamperini C, Canducci F, Chiariello M, Martí-Centelles R, Falomir E, Carda M.
One drug for two targets: Biological evaluation of antiretroviral agents endowed with antiproliferative activity. Botta L, Maccari G, Calandro P, Tiberi M, Brai A, Zamperini C, Canducci F, Chiariello M, Martí-Centelles R, Falomir E, Carda M.: One drug for two targets: Biological evaluation of antiretroviral agents endowed with antiproliferative activity. Bioorg Med Chem Lett, Volume 27 (11), 2017 Bioorg Med Chem Lett 2017 28408224
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Boubia B, Poupardin O, Barth M, Binet J, Peralba P, Mounier...
Boubia B, Poupardin O, Barth M, Binet J, Peralba P, Mounier L, Jacquier E, Gauthier E, Lepais V, Chatar M, Ferry S, Thourigny A, Guillier F, Llacer J, Amaudrut J, Dodey P, Lacombe O, Masson P, Montalbetti C, Wettstein G, Luccarini JM, Legendre C, Junien JL, Broqua P.
Design, Synthesis, and Evaluation of a Novel Series of Indole Sulfonamide Peroxisome Proliferator Activated Receptor... Boubia B, Poupardin O, Barth M, Binet J, Peralba P, Mounier L, Jacquier E, Gauthier E, Lepais V, Chatar M, Ferry S, Thourigny A, Guillier F, Llacer J, Amaudrut J, Dodey P, Lacombe O, Masson P, Montalbetti C, Wettstein G, Luccarini JM, Legendre C, Junien JL, Broqua P.: Design, Synthesis, and Evaluation of a Novel Series of Indole Sulfonamide Peroxisome Proliferator Activated Receptor (PPAR) α/γ/δ Triple Activators: Discovery of Lanifibranor, a New Antifibrotic Clinical Candidate. J Med Chem, Volume 61 (6), 2018 J Med Chem 2018 29446942
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Bouché L, Christ CD, Siegel S, Fernández-Montalván AE,...
Bouché L, Christ CD, Siegel S, Fernández-Montalván AE, Holton SJ, Fedorov O, Ter Laak A, Sugawara T, Stöckigt D, Tallant C, Bennett J, Monteiro O, Díaz-Sáez L, Siejka P, Meier J, Pütter V, Weiske J, Müller S, Huber KVM, Hartung IV, Haendler B.
Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. Bouché L, Christ CD, Siegel S, Fernández-Montalván AE, Holton SJ, Fedorov O, Ter Laak A, Sugawara T, Stöckigt D, Tallant C, Bennett J, Monteiro O, Díaz-Sáez L, Siejka P, Meier J, Pütter V, Weiske J, Müller S, Huber KVM, Hartung IV, Haendler B.: Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. J Med Chem, Volume 60 (9), 2017 J Med Chem 2017 28402630
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Boulton DW, DeVane CL, Liston HL, Markowitz JS.
Boulton DW, DeVane CL, Liston HL, Markowitz JS.
In vitro P-glycoprotein affinity for atypical and conventional antipsychotics. Boulton DW, DeVane CL, Liston HL, Markowitz JS.: In vitro P-glycoprotein affinity for atypical and conventional antipsychotics. Life Sci, Volume 71 (2), 2002 Life Sci 2002 12031686
Total substances: 5
Total passive interactions: 0
Total active interactions: 6
Boumendjel A, Macalou S, Ahmed-Belkacem A, Blanc M, Di...
Boumendjel A, Macalou S, Ahmed-Belkacem A, Blanc M, Di Pietro A.
Acridone derivatives: design, synthesis, and inhibition of breast cancer resistance protein ABCG2. Boumendjel A, Macalou S, Ahmed-Belkacem A, Blanc M, Di Pietro A.: Acridone derivatives: design, synthesis, and inhibition of breast cancer resistance protein ABCG2. Bioorg Med Chem, Volume 15 (8), 2007 Bioorg Med Chem 2007 17317193
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Bourdet DL, Pritchard JB, Thakker DR.
Bourdet DL, Pritchard JB, Thakker DR.
Differential substrate and inhibitory activities of ranitidine and famotidine toward human organic cation transporter 1... Bourdet DL, Pritchard JB, Thakker DR.: Differential substrate and inhibitory activities of ranitidine and famotidine toward human organic cation transporter 1 (hOCT1; SLC22A1), hOCT2 (SLC22A2), and hOCT3 (SLC22A3). J Pharmacol Exp Ther, Volume 315 (3), 2005 J Pharmacol Exp Ther 2005 16141367
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Bouyssou T, Hoenke C, Rudolf K, Lustenberger P, Pestel S,...
Bouyssou T, Hoenke C, Rudolf K, Lustenberger P, Pestel S, Sieger P, Lotz R, Heine C, Büttner FH, Schnapp A, Konetzki I.
Discovery of olodaterol, a novel inhaled beta2-adrenoceptor agonist with a 24 h bronchodilatory efficacy. Bouyssou T, Hoenke C, Rudolf K, Lustenberger P, Pestel S, Sieger P, Lotz R, Heine C, Büttner FH, Schnapp A, Konetzki I.: Discovery of olodaterol, a novel inhaled beta2-adrenoceptor agonist with a 24 h bronchodilatory efficacy. Bioorg Med Chem Lett, Volume 20 (4), 2010 Bioorg Med Chem Lett 2010 20096576
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Boy KM, Guernon JM, Wu YJ, Zhang Y, Shi J, Zhai W, Zhu S,...
Boy KM, Guernon JM, Wu YJ, Zhang Y, Shi J, Zhai W, Zhu S, Gerritz SW, Toyn JH, Meredith JE, Barten DM, Burton CR, Albright CF, Good AC, Grace JE, Lentz KA, Olson RE, Macor JE, Thompson LA.
Macrocyclic prolinyl acyl guanidines as inhibitors of β-secretase (BACE). Boy KM, Guernon JM, Wu YJ, Zhang Y, Shi J, Zhai W, Zhu S, Gerritz SW, Toyn JH, Meredith JE, Barten DM, Burton CR, Albright CF, Good AC, Grace JE, Lentz KA, Olson RE, Macor JE, Thompson LA.: Macrocyclic prolinyl acyl guanidines as inhibitors of β-secretase (BACE). Bioorg Med Chem Lett, Volume 25 (22), 2015 Bioorg Med Chem Lett 2015 26497283
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Boyd S, Brookfield JL, Critchlow SE, Cumming IA, Curtis NJ,...
Boyd S, Brookfield JL, Critchlow SE, Cumming IA, Curtis NJ, Debreczeni J, Degorce SL, Donald C, Evans NJ, Groombridge S, Hopcroft P, Jones NP, Kettle JG, Lamont S, Lewis HJ, MacFaull P, McLoughlin SB, Rigoreau LJ, Smith JM, St-Gallay S, Stock JK, Turnbull AP, Wheatley ER, Winter J, Wingfield J.
Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3. Boyd S, Brookfield JL, Critchlow SE, Cumming IA, Curtis NJ, Debreczeni J, Degorce SL, Donald C, Evans NJ, Groombridge S, Hopcroft P, Jones NP, Kettle JG, Lamont S, Lewis HJ, MacFaull P, McLoughlin SB, Rigoreau LJ, Smith JM, St-Gallay S, Stock JK, Turnbull AP, Wheatley ER, Winter J, Wingfield J.: Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3. J Med Chem, Volume 58 (8), 2015 J Med Chem 2015 25849762
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Boyer J, Arnoult E, Médebielle M, Guillemont J, Unge J,...
Boyer J, Arnoult E, Médebielle M, Guillemont J, Unge J, Jochmans D.
Difluoromethylbenzoxazole pyrimidine thioether derivatives: a novel class of potent non-nucleoside HIV-1 reverse... Boyer J, Arnoult E, Médebielle M, Guillemont J, Unge J, Jochmans D.: Difluoromethylbenzoxazole pyrimidine thioether derivatives: a novel class of potent non-nucleoside HIV-1 reverse transcriptase inhibitors. J Med Chem, Volume 54 (23), 2011 J Med Chem 2011 22017513
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Bozó É, Baska F, Lövei K, Szántó G, Domány-Kovács K,...
Bozó É, Baska F, Lövei K, Szántó G, Domány-Kovács K, Kurkó D, Szondiné Kordás K, Szokoli T, Bata I.
New V1a receptor antagonist. Part 2. Identification and optimization of triazolobenzazepines. Bozó É, Baska F, Lövei K, Szántó G, Domány-Kovács K, Kurkó D, Szondiné Kordás K, Szokoli T, Bata I.: New V1a receptor antagonist. Part 2. Identification and optimization of triazolobenzazepines. Bioorg Med Chem Lett, Volume 30 (18), 2020 Bioorg Med Chem Lett 2020 32731087
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Bradbury RH, Callis R, Carr GR, Chen H, Clark E, Feron L,...
Bradbury RH, Callis R, Carr GR, Chen H, Clark E, Feron L, Glossop S, Graham MA, Hattersley M, Jones C, Lamont SG, Ouvry G, Patel A, Patel J, Rabow AA, Roberts CA, Stokes S, Stratton N, Walker GE, Ward L, Whalley D, Whittaker D, Wrigley G, Waring MJ.
Optimization of a Series of Bivalent Triazolopyridazine Based Bromodomain and Extraterminal Inhibitors: The Discovery... Bradbury RH, Callis R, Carr GR, Chen H, Clark E, Feron L, Glossop S, Graham MA, Hattersley M, Jones C, Lamont SG, Ouvry G, Patel A, Patel J, Rabow AA, Roberts CA, Stokes S, Stratton N, Walker GE, Ward L, Whalley D, Whittaker D, Wrigley G, Waring MJ.: Optimization of a Series of Bivalent Triazolopyridazine Based Bromodomain and Extraterminal Inhibitors: The Discovery of (3R)-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one (AZD5153). J Med Chem, Volume 59 (17), 2016 J Med Chem 2016 27528113
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Brain-Isasi S, Quezada C, Pessoa H, Morello A, Kogan MJ,...
Brain-Isasi S, Quezada C, Pessoa H, Morello A, Kogan MJ, Alvarez-Lueje A.
Determination and characterization of new benzimidazoles with activity against Trypanosoma cruzi by UV spectroscopy and... Brain-Isasi S, Quezada C, Pessoa H, Morello A, Kogan MJ, Alvarez-Lueje A.: Determination and characterization of new benzimidazoles with activity against Trypanosoma cruzi by UV spectroscopy and HPLC. Bioorg Med Chem, Volume 16 (16), 2008 Bioorg Med Chem 2008 18657978
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Brand W, Oosterhuis B, Krajcsi P, Barron D, Dionisi F, van...
Brand W, Oosterhuis B, Krajcsi P, Barron D, Dionisi F, van Bladeren PJ, Rietjens IM, Williamson G.
Interaction of hesperetin glucuronide conjugates with human BCRP, MRP2 and MRP3 as detected in membrane vesicles of... Brand W, Oosterhuis B, Krajcsi P, Barron D, Dionisi F, van Bladeren PJ, Rietjens IM, Williamson G.: Interaction of hesperetin glucuronide conjugates with human BCRP, MRP2 and MRP3 as detected in membrane vesicles of overexpressing baculovirus-infected Sf9 cells. Biopharm Drug Dispos, Volume 32 (9), 2011 Biopharm Drug Dispos 2011 22083890
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Bravo Y, Teriete P, Dhanya RP, Dahl R, Lee PS,...
Bravo Y, Teriete P, Dhanya RP, Dahl R, Lee PS, Kiffer-Moreira T, Ganji SR, Sergienko E, Smith LH, Farquharson C, Millán JL, Cosford ND.
Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bravo Y, Teriete P, Dhanya RP, Dahl R, Lee PS, Kiffer-Moreira T, Ganji SR, Sergienko E, Smith LH, Farquharson C, Millán JL, Cosford ND.: Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bioorg Med Chem Lett, Volume 24 (17), 2014 Bioorg Med Chem Lett 2014 25124115
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Brawn RA, Cook A, Omoto K, Ke J, Karr C, Colombo F,...
Brawn RA, Cook A, Omoto K, Ke J, Karr C, Colombo F, Virrankoski M, Prajapati S, Reynolds D, Bolduc DM, Nguyen TV, Gee P, Borrelli D, Caleb B, Yao S, Irwin S, Larsen NA, Selvaraj A, Zhao X, Ioannidis S.
Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Brawn RA, Cook A, Omoto K, Ke J, Karr C, Colombo F, Virrankoski M, Prajapati S, Reynolds D, Bolduc DM, Nguyen TV, Gee P, Borrelli D, Caleb B, Yao S, Irwin S, Larsen NA, Selvaraj A, Zhao X, Ioannidis S.: Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. ACS Med Chem Lett, Volume 12 (1), 2021 ACS Med Chem Lett 2021 33488969
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Brebion F, Gosmini R, Deprez P, Varin M, Peixoto C, Alvey...
Brebion F, Gosmini R, Deprez P, Varin M, Peixoto C, Alvey L, Jary H, Bienvenu N, Triballeau N, Blanque R, Cottereaux C, Christophe T, Vandervoort N, Mollat P, Touitou R, Leonard P, De Ceuninck F, Botez I, Monjardet A, van der Aar E, Amantini D.
Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of... Brebion F, Gosmini R, Deprez P, Varin M, Peixoto C, Alvey L, Jary H, Bienvenu N, Triballeau N, Blanque R, Cottereaux C, Christophe T, Vandervoort N, Mollat P, Touitou R, Leonard P, De Ceuninck F, Botez I, Monjardet A, van der Aar E, Amantini D.: Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis. J Med Chem, Volume 64 (6), 2021 J Med Chem 2021 33719441
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Breedveld P, Zelcer N, Pluim D, Sönmezer O, Tibben MM,...
Breedveld P, Zelcer N, Pluim D, Sönmezer O, Tibben MM, Beijnen JH, Schinkel AH, van Tellingen O, Borst P, Schellens JH.
Mechanism of the pharmacokinetic interaction between methotrexate and benzimidazoles: potential role for breast cancer... Breedveld P, Zelcer N, Pluim D, Sönmezer O, Tibben MM, Beijnen JH, Schinkel AH, van Tellingen O, Borst P, Schellens JH.: Mechanism of the pharmacokinetic interaction between methotrexate and benzimidazoles: potential role for breast cancer resistance protein in clinical drug-drug interactions. Cancer Res, Volume 64 (16), 2004 Cancer Res 2004 15313923
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Bregman H, Berry L, Buchanan JL, Chen A, Du B, Feric E,...
Bregman H, Berry L, Buchanan JL, Chen A, Du B, Feric E, Hierl M, Huang L, Immke D, Janosky B, Johnson D, Li X, Ligutti J, Liu D, Malmberg A, Matson D, McDermott J, Miu P, Nguyen HN, Patel VF, Waldon D, Wilenkin B, Zheng XM, Zou A, McDonough SI, DiMauro EF.
Identification of a potent, state-dependent inhibitor of Nav1.7 with oral efficacy in the formalin model of persistent... Bregman H, Berry L, Buchanan JL, Chen A, Du B, Feric E, Hierl M, Huang L, Immke D, Janosky B, Johnson D, Li X, Ligutti J, Liu D, Malmberg A, Matson D, McDermott J, Miu P, Nguyen HN, Patel VF, Waldon D, Wilenkin B, Zheng XM, Zou A, McDonough SI, DiMauro EF.: Identification of a potent, state-dependent inhibitor of Nav1.7 with oral efficacy in the formalin model of persistent pain. J Med Chem, Volume 54 (13), 2011 J Med Chem 2011 21634377
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Bregman H, Simard JR, Andrews KL, Ayube S, Chen H, Gunaydin...
Bregman H, Simard JR, Andrews KL, Ayube S, Chen H, Gunaydin H, Guzman-Perez A, Hu J, Huang L, Huang X, Krolikowski PH, Lehto SG, Lewis RT, Michelsen K, Pegman P, Plant MH, Shaffer PL, Teffera Y, Yi S, Zhang M, Gingras J, DiMauro EF.
The Discovery and Hit-to-Lead Optimization of Tricyclic Sulfonamides as Potent and Efficacious Potentiators of Glycine... Bregman H, Simard JR, Andrews KL, Ayube S, Chen H, Gunaydin H, Guzman-Perez A, Hu J, Huang L, Huang X, Krolikowski PH, Lehto SG, Lewis RT, Michelsen K, Pegman P, Plant MH, Shaffer PL, Teffera Y, Yi S, Zhang M, Gingras J, DiMauro EF.: The Discovery and Hit-to-Lead Optimization of Tricyclic Sulfonamides as Potent and Efficacious Potentiators of Glycine Receptors. J Med Chem, Volume 60 (3), 2017 J Med Chem 2017 28001399
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Brennan PE, Whitlock GA, Ho DK, Conlon K, McMurray G.
Brennan PE, Whitlock GA, Ho DK, Conlon K, McMurray G.
Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary... Brennan PE, Whitlock GA, Ho DK, Conlon K, McMurray G.: Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence. Bioorg Med Chem Lett, Volume 19 (17), 2009 Bioorg Med Chem Lett 2009 19646865
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Brescia MR, Rokosz LL, Cole AG, Stauffer TM, Lehrach JM,...
Brescia MR, Rokosz LL, Cole AG, Stauffer TM, Lehrach JM, Auld DS, Henderson I, Webb ML.
Discovery and preliminary evaluation of 5-(4-phenylbenzyl)oxazole-4-carboxamides as prostacyclin receptor antagonists. Brescia MR, Rokosz LL, Cole AG, Stauffer TM, Lehrach JM, Auld DS, Henderson I, Webb ML.: Discovery and preliminary evaluation of 5-(4-phenylbenzyl)oxazole-4-carboxamides as prostacyclin receptor antagonists. Bioorg Med Chem Lett, Volume 17 (5), 2007 Bioorg Med Chem Lett 2007 17239589
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Brillault J, De Castro WV, Couet W.
Brillault J, De Castro WV, Couet W.
Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various... Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010 Antimicrob Agents Chemother 2010 19822706
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Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC,...
Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.
P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009 Antimicrob Agents Chemother 2009 19188390
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Briz O, Serrano MA, MacIas RI, Gonzalez-Gallego J, Marin JJ.
Briz O, Serrano MA, MacIas RI, Gonzalez-Gallego J, Marin JJ.
Role of organic anion-transporting polypeptides, OATP-A, OATP-C and OATP-8, in the human placenta-maternal liver tandem... Briz O, Serrano MA, MacIas RI, Gonzalez-Gallego J, Marin JJ.: Role of organic anion-transporting polypeptides, OATP-A, OATP-C and OATP-8, in the human placenta-maternal liver tandem excretory pathway for foetal bilirubin. Biochem J, Volume 371 (pt 3), 2003 Biochem J 2003 12568656
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Briz O, Serrano MA, Rebollo N, Hagenbuch B, Meier PJ,...
Briz O, Serrano MA, Rebollo N, Hagenbuch B, Meier PJ, Koepsell H, Marin JJ.
Carriers involved in targeting the cytostatic bile acid-cisplatin derivatives... Briz O, Serrano MA, Rebollo N, Hagenbuch B, Meier PJ, Koepsell H, Marin JJ.: Carriers involved in targeting the cytostatic bile acid-cisplatin derivatives cis-diammine-chloro-cholylglycinate-platinum(II) and cis-diammine-bisursodeoxycholate-platinum(II) toward liver cells. Mol Pharmacol, Volume 61 (4), 2002 Mol Pharmacol 2002 11901224
Total substances: 1
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Total active interactions: 2
Brocklehurst KJ, Broo A, Butlin RJ, Brown HS, Clarke DS,...
Brocklehurst KJ, Broo A, Butlin RJ, Brown HS, Clarke DS, Davidsson Ö, Goldberg K, Groombridge SD, Kelly EE, Leach A, McKerrecher D, O'Donnell C, Poucher S, Schofield P, Scott JS, Teague J, Westgate L, Wood MJ.
Discovery, optimisation and in vivo evaluation of novel GPR119 agonists. Brocklehurst KJ, Broo A, Butlin RJ, Brown HS, Clarke DS, Davidsson Ö, Goldberg K, Groombridge SD, Kelly EE, Leach A, McKerrecher D, O'Donnell C, Poucher S, Schofield P, Scott JS, Teague J, Westgate L, Wood MJ.: Discovery, optimisation and in vivo evaluation of novel GPR119 agonists. Bioorg Med Chem Lett, Volume 21 (24), 2011 Bioorg Med Chem Lett 2011 22061639
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Brodney MA, Barreiro G, Ogilvie K, Hajos-Korcsok E, Murray...
Brodney MA, Barreiro G, Ogilvie K, Hajos-Korcsok E, Murray J, Vajdos F, Ambroise C, Christoffersen C, Fisher K, Lanyon L, Liu J, Nolan CE, Withka JM, Borzilleri KA, Efremov I, Oborski CE, Varghese A, O'Neill BT.
Spirocyclic sulfamides as β-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of... Brodney MA, Barreiro G, Ogilvie K, Hajos-Korcsok E, Murray J, Vajdos F, Ambroise C, Christoffersen C, Fisher K, Lanyon L, Liu J, Nolan CE, Withka JM, Borzilleri KA, Efremov I, Oborski CE, Varghese A, O'Neill BT.: Spirocyclic sulfamides as β-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. J Med Chem, Volume 55 (21), 2012 J Med Chem 2012 22984865
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Brooks CA, Barton LS, Behm DJ, Brnardic EJ, Costell MH,...
Brooks CA, Barton LS, Behm DJ, Brnardic EJ, Costell MH, Holt DA, Jolivette LJ, Matthews JM, McAtee JJ, McCleland BW, Patterson JR, Pero JE, Rivero RA, Roethke TJ, Sanchez RM, Shenje R, Terrell LR, Lawhorn BG.
Discovery of GSK3527497: A Candidate for the Inhibition of Transient Receptor Potential Vanilloid-4 (TRPV4). Brooks CA, Barton LS, Behm DJ, Brnardic EJ, Costell MH, Holt DA, Jolivette LJ, Matthews JM, McAtee JJ, McCleland BW, Patterson JR, Pero JE, Rivero RA, Roethke TJ, Sanchez RM, Shenje R, Terrell LR, Lawhorn BG.: Discovery of GSK3527497: A Candidate for the Inhibition of Transient Receptor Potential Vanilloid-4 (TRPV4). J Med Chem, Volume 62 (20), 2019 J Med Chem 2019 31532662
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Brown AD, Bunnage ME, Glossop PA, Holbrook M, Jones RD,...
Brown AD, Bunnage ME, Glossop PA, Holbrook M, Jones RD, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Webster R.
The discovery of indole-derived long acting beta2-adrenoceptor agonists for the treatment of asthma and COPD. Brown AD, Bunnage ME, Glossop PA, Holbrook M, Jones RD, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Webster R.: The discovery of indole-derived long acting beta2-adrenoceptor agonists for the treatment of asthma and COPD. Bioorg Med Chem Lett, Volume 17 (22), 2007 Bioorg Med Chem Lett 2007 17897826
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Brown AD, Bunnage ME, Glossop PA, James K, Jones R, Lane...
Brown AD, Bunnage ME, Glossop PA, James K, Jones R, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Trevethick M, Webster R.
The discovery of long acting beta2-adrenoreceptor agonists. Brown AD, Bunnage ME, Glossop PA, James K, Jones R, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Trevethick M, Webster R.: The discovery of long acting beta2-adrenoreceptor agonists. Bioorg Med Chem Lett, Volume 17 (14), 2007 Bioorg Med Chem Lett 2007 17498952
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Brown BS, Keddy R, Zheng GZ, Schmidt RG, Koenig JR,...
Brown BS, Keddy R, Zheng GZ, Schmidt RG, Koenig JR, McDonald HA, Bianchi BR, Honore P, Jarvis MF, Surowy CS, Polakowski JS, Marsh KC, Faltynek CR, Lee CH.
Tetrahydropyridine-4-carboxamides as novel, potent transient receptor potential vanilloid 1 (TRPV1) antagonists. Brown BS, Keddy R, Zheng GZ, Schmidt RG, Koenig JR, McDonald HA, Bianchi BR, Honore P, Jarvis MF, Surowy CS, Polakowski JS, Marsh KC, Faltynek CR, Lee CH.: Tetrahydropyridine-4-carboxamides as novel, potent transient receptor potential vanilloid 1 (TRPV1) antagonists. Bioorg Med Chem, Volume 16 (18), 2008 Bioorg Med Chem 2008 18722778
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Brown DG, Bernstein PR, Griffin A, Wesolowski S, Labrecque...
Brown DG, Bernstein PR, Griffin A, Wesolowski S, Labrecque D, Tremblay MC, Sylvester M, Mauger R, Edwards PD, Throner SR, Folmer JJ, Cacciola J, Scott C, Lazor LA, Pourashraf M, Santhakumar V, Potts WM, Sydserff S, Giguère P, Lévesque C, Dasser M, Groblewski T.
Discovery of spirofused piperazine and diazepane amides as selective histamine-3 antagonists with in vivo efficacy in a... Brown DG, Bernstein PR, Griffin A, Wesolowski S, Labrecque D, Tremblay MC, Sylvester M, Mauger R, Edwards PD, Throner SR, Folmer JJ, Cacciola J, Scott C, Lazor LA, Pourashraf M, Santhakumar V, Potts WM, Sydserff S, Giguère P, Lévesque C, Dasser M, Groblewski T.: Discovery of spirofused piperazine and diazepane amides as selective histamine-3 antagonists with in vivo efficacy in a mouse model of cognition. J Med Chem, Volume 57 (3), 2014 J Med Chem 2014 24410637
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Brown DG, Bernstein PR, Wu Y, Urbanek RA, Becker CW,...
Brown DG, Bernstein PR, Wu Y, Urbanek RA, Becker CW, Throner SR, Dembofsky BT, Steelman GB, Lazor LA, Scott CW, Wood MW, Wesolowski SS, Nugiel DA, Koch S, Yu J, Pivonka DE, Li S, Thompson C, Zacco A, Elmore CS, Schroeder P, Liu J, Hurley CA, Ward S, Hunt HJ, Williams K, McLaughlin J, Hoesch V, Sydserff S, Maier D, Aharony D.
Azepines and piperidines with dual norepinephrine dopamine uptake inhibition and antidepressant activity. Brown DG, Bernstein PR, Wu Y, Urbanek RA, Becker CW, Throner SR, Dembofsky BT, Steelman GB, Lazor LA, Scott CW, Wood MW, Wesolowski SS, Nugiel DA, Koch S, Yu J, Pivonka DE, Li S, Thompson C, Zacco A, Elmore CS, Schroeder P, Liu J, Hurley CA, Ward S, Hunt HJ, Williams K, McLaughlin J, Hoesch V, Sydserff S, Maier D, Aharony D.: Azepines and piperidines with dual norepinephrine dopamine uptake inhibition and antidepressant activity. ACS Med Chem Lett, Volume 4 (1), 2013 ACS Med Chem Lett 2013 24900562
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Total passive interactions: 0
Total active interactions: 1
Brown DS, Cumming JG, Bethel P, Finlayson J, Gerhardt S,...
Brown DS, Cumming JG, Bethel P, Finlayson J, Gerhardt S, Nash I, Pauptit RA, Pike KG, Reid A, Snelson W, Swallow S, Thompson C.
The discovery of N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide (AZD6703), a... Brown DS, Cumming JG, Bethel P, Finlayson J, Gerhardt S, Nash I, Pauptit RA, Pike KG, Reid A, Snelson W, Swallow S, Thompson C.: The discovery of N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide (AZD6703), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases. Bioorg Med Chem Lett, Volume 22 (12), 2012 Bioorg Med Chem Lett 2012 22608965
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Brudeli B, Andressen KW, Moltzau LR, Nilsen NO, Levy FO,...
Brudeli B, Andressen KW, Moltzau LR, Nilsen NO, Levy FO, Klaveness J.
Acidic biphenyl derivatives: synthesis and biological activity of a new series of potent 5-HT(4) receptor antagonists. Brudeli B, Andressen KW, Moltzau LR, Nilsen NO, Levy FO, Klaveness J.: Acidic biphenyl derivatives: synthesis and biological activity of a new series of potent 5-HT(4) receptor antagonists. Bioorg Med Chem, Volume 21 (22), 2013 Bioorg Med Chem 2013 24113240
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Brugel TA, Smith RW, Balestra M, Becker C, Daniels T,...
Brugel TA, Smith RW, Balestra M, Becker C, Daniels T, Hoerter TN, Koether GM, Throner SR, Panko LM, Folmer JJ, Cacciola J, Hunter AM, Liu R, Edwards PD, Brown DG, Gordon J, Ledonne NC, Pietras M, Schroeder P, Sygowski LA, Hirata LT, Zacco A, Peters MF.
Discovery of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as selective antagonists of the kappa opioid receptor. Part 1. Brugel TA, Smith RW, Balestra M, Becker C, Daniels T, Hoerter TN, Koether GM, Throner SR, Panko LM, Folmer JJ, Cacciola J, Hunter AM, Liu R, Edwards PD, Brown DG, Gordon J, Ledonne NC, Pietras M, Schroeder P, Sygowski LA, Hirata LT, Zacco A, Peters MF.: Discovery of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as selective antagonists of the kappa opioid receptor. Part 1. Bioorg Med Chem Lett, Volume 20 (19), 2010 Bioorg Med Chem Lett 2010 20727752
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Brugel TA, Smith RW, Balestra M, Becker C, Daniels T,...
Brugel TA, Smith RW, Balestra M, Becker C, Daniels T, Koether GM, Throner SR, Panko LM, Brown DG, Liu R, Gordon J, Peters MF.
SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2. Brugel TA, Smith RW, Balestra M, Becker C, Daniels T, Koether GM, Throner SR, Panko LM, Brown DG, Liu R, Gordon J, Peters MF.: SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2. Bioorg Med Chem Lett, Volume 20 (18), 2010 Bioorg Med Chem Lett 2010 20719509
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Brunner J, Graham DE, Hauser H, Semenza G.
Brunner J, Graham DE, Hauser H, Semenza G.
Ion and sugar permeabilities of lecithin bilayers: comparison of curved and planar bilayers. Brunner J, Graham DE, Hauser H, Semenza G.: Ion and sugar permeabilities of lecithin bilayers: comparison of curved and planar bilayers. J Membr Biol, Volume 57 (2), 1980 J Membr Biol 1980 7193741
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Bryan MC, Drobnick J, Gobbi A, Kolesnikov A, Chen Y,...
Bryan MC, Drobnick J, Gobbi A, Kolesnikov A, Chen Y, Rajapaksa N, Ndubaku C, Feng J, Chang W, Francis R, Yu C, Choo EF, DeMent K, Ran Y, An L, Emson C, Huang Z, Sujatha-Bhaskar S, Brightbill H, DiPasquale A, Maher J, Wai J, McKenzie BS, Lupardus PJ, Zarrin AA, Kiefer JR.
Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. Bryan MC, Drobnick J, Gobbi A, Kolesnikov A, Chen Y, Rajapaksa N, Ndubaku C, Feng J, Chang W, Francis R, Yu C, Choo EF, DeMent K, Ran Y, An L, Emson C, Huang Z, Sujatha-Bhaskar S, Brightbill H, DiPasquale A, Maher J, Wai J, McKenzie BS, Lupardus PJ, Zarrin AA, Kiefer JR.: Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J Med Chem, Volume 62 (13), 2019 J Med Chem 2019 31082230
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Buchstaller HP, Anlauf U, Dorsch D, Kuhn D, Lehmann M,...
Buchstaller HP, Anlauf U, Dorsch D, Kuhn D, Lehmann M, Leuthner B, Musil D, Radtki D, Ritzert C, Rohdich F, Schneider R, Esdar C.
Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt... Buchstaller HP, Anlauf U, Dorsch D, Kuhn D, Lehmann M, Leuthner B, Musil D, Radtki D, Ritzert C, Rohdich F, Schneider R, Esdar C.: Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity. J Med Chem, Volume 62 (17), 2019 J Med Chem 2019 31381853
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Bucknell SJ, Ator MA, Brown AJH, Brown J, Cansfield AD,...
Bucknell SJ, Ator MA, Brown AJH, Brown J, Cansfield AD, Cansfield JE, Christopher JA, Congreve M, Cseke G, Deflorian F, Jones CR, Mason JS, O'Brien MA, Ott GR, Pickworth M, Southall SM.
Structure-Based Drug Discovery of... Bucknell SJ, Ator MA, Brown AJH, Brown J, Cansfield AD, Cansfield JE, Christopher JA, Congreve M, Cseke G, Deflorian F, Jones CR, Mason JS, O'Brien MA, Ott GR, Pickworth M, Southall SM.: Structure-Based Drug Discovery of N-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine. J Med Chem, Volume 63 (14), 2020 J Med Chem 2020 32558564
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Budzik BW, Evans KA, Wisnoski DD, Jin J, Rivero RA,...
Budzik BW, Evans KA, Wisnoski DD, Jin J, Rivero RA, Szewczyk GR, Jayawickreme C, Moncol DL, Yu H.
Synthesis and structure-activity relationships of a series of 3-aryl-4-isoxazolecarboxamides as a new class of TGR5... Budzik BW, Evans KA, Wisnoski DD, Jin J, Rivero RA, Szewczyk GR, Jayawickreme C, Moncol DL, Yu H.: Synthesis and structure-activity relationships of a series of 3-aryl-4-isoxazolecarboxamides as a new class of TGR5 agonists. Bioorg Med Chem Lett, Volume 20 (4), 2010 Bioorg Med Chem Lett 2010 20097073
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Buettelmann B, Ballard TM, Gasser R, Fischer H, Hernandez...
Buettelmann B, Ballard TM, Gasser R, Fischer H, Hernandez MC, Knoflach F, Knust H, Stadler H, Thomas AW, Trube G.
Imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepines as potent and highly selective GABAA alpha5 inverse agonists... Buettelmann B, Ballard TM, Gasser R, Fischer H, Hernandez MC, Knoflach F, Knust H, Stadler H, Thomas AW, Trube G.: Imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepines as potent and highly selective GABAA alpha5 inverse agonists with potential for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009 Bioorg Med Chem Lett 2009 19740657
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Bulmer AC, Blanchfield JT, Coombes JS, Toth I.
Bulmer AC, Blanchfield JT, Coombes JS, Toth I.
In vitro permeability and metabolic stability of bile pigments and the effects of hydrophilic and lipophilic... Bulmer AC, Blanchfield JT, Coombes JS, Toth I.: In vitro permeability and metabolic stability of bile pigments and the effects of hydrophilic and lipophilic modification of biliverdin. Bioorg Med Chem, Volume 16 (7), 2008 Bioorg Med Chem 2008 18304823
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Burch JD, Barrett K, Chen Y, DeVoss J, Eigenbrot C,...
Burch JD, Barrett K, Chen Y, DeVoss J, Eigenbrot C, Goldsmith R, Ismaili MH, Lau K, Lin Z, Ortwine DF, Zarrin AA, McEwan PA, Barker JJ, Ellebrandt C, Kordt D, Stein DB, Wang X, Chen Y, Hu B, Xu X, Yuen PW, Zhang Y, Pei Z.
Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with... Burch JD, Barrett K, Chen Y, DeVoss J, Eigenbrot C, Goldsmith R, Ismaili MH, Lau K, Lin Z, Ortwine DF, Zarrin AA, McEwan PA, Barker JJ, Ellebrandt C, Kordt D, Stein DB, Wang X, Chen Y, Hu B, Xu X, Yuen PW, Zhang Y, Pei Z.: Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. J Med Chem, Volume 58 (9), 2015 J Med Chem 2015 25844760
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Burch JD, Lau K, Barker JJ, Brookfield F, Chen Y, Chen Y,...
Burch JD, Lau K, Barker JJ, Brookfield F, Chen Y, Chen Y, Eigenbrot C, Ellebrandt C, Ismaili MH, Johnson A, Kordt D, MacKinnon CH, McEwan PA, Ortwine DF, Stein DB, Wang X, Winkler D, Yuen PW, Zhang Y, Zarrin AA, Pei Z.
Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase... Burch JD, Lau K, Barker JJ, Brookfield F, Chen Y, Chen Y, Eigenbrot C, Ellebrandt C, Ismaili MH, Johnson A, Kordt D, MacKinnon CH, McEwan PA, Ortwine DF, Stein DB, Wang X, Winkler D, Yuen PW, Zhang Y, Zarrin AA, Pei Z.: Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J Med Chem, Volume 57 (13), 2014 J Med Chem 2014 24918870
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Burger MT, Pecchi S, Wagman A, Ni ZJ, Knapp M, Hendrickson...
Burger MT, Pecchi S, Wagman A, Ni ZJ, Knapp M, Hendrickson T, Atallah G, Pfister K, Zhang Y, Bartulis S, Frazier K, Ng S, Smith A, Verhagen J, Haznedar J, Huh K, Iwanowicz E, Xin X, Menezes D, Merritt H, Lee I, Wiesmann M, Kaufman S, Crawford K, Chin M, Bussiere D, Shoemaker K, Zaror I, Maira SM, Voliva CF.
Identification of NVP-BKM120 as a Potent, Selective, Orally Bioavailable Class I PI3 Kinase Inhibitor for Treating... Burger MT, Pecchi S, Wagman A, Ni ZJ, Knapp M, Hendrickson T, Atallah G, Pfister K, Zhang Y, Bartulis S, Frazier K, Ng S, Smith A, Verhagen J, Haznedar J, Huh K, Iwanowicz E, Xin X, Menezes D, Merritt H, Lee I, Wiesmann M, Kaufman S, Crawford K, Chin M, Bussiere D, Shoemaker K, Zaror I, Maira SM, Voliva CF.: Identification of NVP-BKM120 as a Potent, Selective, Orally Bioavailable Class I PI3 Kinase Inhibitor for Treating Cancer. ACS Med Chem Lett, Volume 2 (10), 2011 ACS Med Chem Lett 2011 24900266
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Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG,...
Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.
Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor... Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017 J Med Chem 2017 28296398
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Burnham Center for Chemical Genomics
Burnham Center for Chemical Genomics
Parallel artificial membrane permeability assay at pH 7.4 Burnham Center for Chemical Genomics - Parallel artificial membrane permeability assay at pH 7.4 - PubChem AID 624339 PubChem 2012
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Burnham Center for Chemical Genomics
Burnham Center for Chemical Genomics
Parallel artificial membrane permeability assay at pH 7.4. AID=624339 Burnham Center for Chemical Genomics: Parallel artificial membrane permeability assay at pH 7.4. AID=624339, 2012 PubChem BioAssay Database 2012 https://pubchem...
Total substances: 78
Total passive interactions: 78
Total active interactions: 0
Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue...
Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue AC, Fantino E, Farrugia M, Feutrill JT, Joffe M, Kling MR, Kurek M, Nero TL, Nguyen T, Palmer JT, Phillips I, Shackleford DM, Sikanyika H, Styles M, Su S, Treutlein H, Zeng J, Wilks AF.
Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue AC, Fantino E, Farrugia M, Feutrill JT, Joffe M, Kling MR, Kurek M, Nero TL, Nguyen T, Palmer JT, Phillips I, Shackleford DM, Sikanyika H, Styles M, Su S, Treutlein H, Zeng J, Wilks AF.: Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). Bioorg Med Chem Lett, Volume 19 (20), 2009 Bioorg Med Chem Lett 2009 19762238
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Bursavich MG, Harrison BA, Acharya R, Costa DE, Freeman EA,...
Bursavich MG, Harrison BA, Acharya R, Costa DE, Freeman EA, Hrdlicka LA, Jin H, Kapadnis S, Moffit JS, Murphy D, Nolan SJ, Patzke H, Tang C, Van Voorhies HE, Wen M, Koenig G, Blain JF, Burnett DA.
Discovery of the Oxadiazine FRM-024: A Potent CNS-Penetrant Gamma Secretase Modulator. Bursavich MG, Harrison BA, Acharya R, Costa DE, Freeman EA, Hrdlicka LA, Jin H, Kapadnis S, Moffit JS, Murphy D, Nolan SJ, Patzke H, Tang C, Van Voorhies HE, Wen M, Koenig G, Blain JF, Burnett DA.: Discovery of the Oxadiazine FRM-024: A Potent CNS-Penetrant Gamma Secretase Modulator. J Med Chem, Volume 64 (19), 2021 J Med Chem 2021 34550687
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Busch AE, Karbach U, Miska D, Gorboulev V, Akhoundova A,...
Busch AE, Karbach U, Miska D, Gorboulev V, Akhoundova A, Volk C, Arndt P, Ulzheimer JC, Sonders MS, Baumann C, Waldegger S, Lang F, Koepsell H.
Human neurons express the polyspecific cation transporter hOCT2, which translocates monoamine neurotransmitters,... Busch AE, Karbach U, Miska D, Gorboulev V, Akhoundova A, Volk C, Arndt P, Ulzheimer JC, Sonders MS, Baumann C, Waldegger S, Lang F, Koepsell H.: Human neurons express the polyspecific cation transporter hOCT2, which translocates monoamine neurotransmitters, amantadine, and memantine. Mol Pharmacol, Volume 54 (2), 1998 Mol Pharmacol 1998 9687576
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Bussenius J, Blazey CM, Aay N, Anand NK, Arcalas A, Baik T,...
Bussenius J, Blazey CM, Aay N, Anand NK, Arcalas A, Baik T, Bowles OJ, Buhr CA, Costanzo S, Curtis JK, DeFina SC, Dubenko L, Heuer TS, Huang P, Jaeger C, Joshi A, Kennedy AR, Kim AI, Lara K, Lee J, Li J, Lougheed JC, Ma S, Malek S, Manalo JC, Martini JF, McGrath G, Nicoll M, Nuss JM, Pack M, Peto CJ, Tsang TH, Wang L, Womble SW, Yakes M, Zhang W, Rice KD.
Discovery of XL888: a novel tropane-derived small molecule inhibitor of HSP90. Bussenius J, Blazey CM, Aay N, Anand NK, Arcalas A, Baik T, Bowles OJ, Buhr CA, Costanzo S, Curtis JK, DeFina SC, Dubenko L, Heuer TS, Huang P, Jaeger C, Joshi A, Kennedy AR, Kim AI, Lara K, Lee J, Li J, Lougheed JC, Ma S, Malek S, Manalo JC, Martini JF, McGrath G, Nicoll M, Nuss JM, Pack M, Peto CJ, Tsang TH, Wang L, Womble SW, Yakes M, Zhang W, Rice KD.: Discovery of XL888: a novel tropane-derived small molecule inhibitor of HSP90. Bioorg Med Chem Lett, Volume 22 (17), 2012 Bioorg Med Chem Lett 2012 22877636
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Bymaster FP, Beedle EE, Findlay J, Gallagher PT, Krushinski...
Bymaster FP, Beedle EE, Findlay J, Gallagher PT, Krushinski JH, Mitchell S, Robertson DW, Thompson DC, Wallace L, Wong DT.
Duloxetine (Cymbalta), a dual inhibitor of serotonin and norepinephrine reuptake. Bymaster FP, Beedle EE, Findlay J, Gallagher PT, Krushinski JH, Mitchell S, Robertson DW, Thompson DC, Wallace L, Wong DT.: Duloxetine (Cymbalta), a dual inhibitor of serotonin and norepinephrine reuptake. Bioorg Med Chem Lett, Volume 13 (24), 2003 Bioorg Med Chem Lett 2003 14643350
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Cadieux JA, Zhang Z, Mattice M, Brownlie-Cutts A, Fu J,...
Cadieux JA, Zhang Z, Mattice M, Brownlie-Cutts A, Fu J, Ratkay LG, Kwan R, Thompson J, Sanghara J, Zhong J, Goldberg YP.
Synthesis and biological evaluation of substituted pyrazoles as blockers of divalent metal transporter 1 (DMT1). Cadieux JA, Zhang Z, Mattice M, Brownlie-Cutts A, Fu J, Ratkay LG, Kwan R, Thompson J, Sanghara J, Zhong J, Goldberg YP.: Synthesis and biological evaluation of substituted pyrazoles as blockers of divalent metal transporter 1 (DMT1). Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22154351
Total substances: 0
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Total active interactions: 0
Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J,...
Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.
In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted... Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015 J Nat Prod 2015 26030662
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Cai P, Fang SQ, Yang HL, Yang XL, Liu QH, Kong LY, Wang XB.
Cai P, Fang SQ, Yang HL, Yang XL, Liu QH, Kong LY, Wang XB.
Donepezil-butylated hydroxytoluene (BHT) hybrids as Anti-Alzheimer's disease agents with cholinergic, antioxidant, and... Cai P, Fang SQ, Yang HL, Yang XL, Liu QH, Kong LY, Wang XB.: Donepezil-butylated hydroxytoluene (BHT) hybrids as Anti-Alzheimer's disease agents with cholinergic, antioxidant, and neuroprotective properties. Eur J Med Chem, Volume 157, 2018 Eur J Med Chem 2018 30096650
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Caldwell R, Liu-Bujalski L, Qiu H, Mochalkin I, Jones R,...
Caldwell R, Liu-Bujalski L, Qiu H, Mochalkin I, Jones R, Neagu C, Goutopoulos A, Grenningloh R, Johnson T, Sherer B, Gardberg A, Follis AV, Morandi F, Head J.
Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk. Caldwell R, Liu-Bujalski L, Qiu H, Mochalkin I, Jones R, Neagu C, Goutopoulos A, Grenningloh R, Johnson T, Sherer B, Gardberg A, Follis AV, Morandi F, Head J.: Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk. Bioorg Med Chem Lett, Volume 28 (21), 2018 Bioorg Med Chem Lett 2018 30290988
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Caldwell RD, Qiu H, Askew BC, Bender AT, Brugger N, Camps...
Caldwell RD, Qiu H, Askew BC, Bender AT, Brugger N, Camps M, Dhanabal M, Dutt V, Eichhorn T, Gardberg AS, Goutopoulos A, Grenningloh R, Head J, Healey B, Hodous BL, Huck BR, Johnson TL, Jones C, Jones RC, Mochalkin I, Morandi F, Nguyen N, Meyring M, Potnick JR, Santos DC, Schmidt R, Sherer B, Shutes A, Urbahns K, Follis AV, Wegener AA, Zimmerli SC, Liu-Bujalski L.
Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for... Caldwell RD, Qiu H, Askew BC, Bender AT, Brugger N, Camps M, Dhanabal M, Dutt V, Eichhorn T, Gardberg AS, Goutopoulos A, Grenningloh R, Head J, Healey B, Hodous BL, Huck BR, Johnson TL, Jones C, Jones RC, Mochalkin I, Morandi F, Nguyen N, Meyring M, Potnick JR, Santos DC, Schmidt R, Sherer B, Shutes A, Urbahns K, Follis AV, Wegener AA, Zimmerli SC, Liu-Bujalski L.: Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases. J Med Chem, Volume 62 (17), 2019 J Med Chem 2019 31368705
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Calzaferri F, Narros-Fernández P, de Pascual R, de Diego...
Calzaferri F, Narros-Fernández P, de Pascual R, de Diego AMG, Nicke A, Egea J, García AG, de Los Ríos C.
Synthesis and Pharmacological Evaluation of Novel Non-nucleotide Purine Derivatives as P2X7 Antagonists for the... Calzaferri F, Narros-Fernández P, de Pascual R, de Diego AMG, Nicke A, Egea J, García AG, de Los Ríos C.: Synthesis and Pharmacological Evaluation of Novel Non-nucleotide Purine Derivatives as P2X7 Antagonists for the Treatment of Neuroinflammation. J Med Chem, Volume 64 (4), 2021 J Med Chem 2021 33560845
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Cama J, Schaich M, Al Nahas K, Hernández-Ainsa S, Pagliara...
Cama J, Schaich M, Al Nahas K, Hernández-Ainsa S, Pagliara S, Keyser UF.
Direct Optofluidic Measurement of the Lipid Permeability of Fluoroquinolones. Cama J, Schaich M, Al Nahas K, Hernández-Ainsa S, Pagliara S, Keyser UF.: Direct Optofluidic Measurement of the Lipid Permeability of Fluoroquinolones. Sci Rep, Volume 6, 2016 Sci Rep 2016 27604156
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Camenisch G, Alsenz J, Van De Waterbeemd H, Folkers G
Camenisch G, Alsenz J, Van De Waterbeemd H, Folkers G
Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and... Camenisch G, Alsenz J, Van De Waterbeemd H, Folkers G: Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs’ lipophilicity and molecular weight. Eur. J. Pharm. Sci., 6, 313–319, 1998 Eur. J. Pharm. Sci. 1998 9795088
Total substances: 25
Total passive interactions: 25
Total active interactions: 0
Campbell SD, Lau WF, Xu JJ.
Campbell SD, Lau WF, Xu JJ.
Interaction of porphyrins with human organic anion transporting polypeptide 1B1. Campbell SD, Lau WF, Xu JJ.: Interaction of porphyrins with human organic anion transporting polypeptide 1B1. Chem Biol Interact, Volume 182 (1), 2009 Chem Biol Interact 2009 19560444
Total substances: 11
Total passive interactions: 0
Total active interactions: 11
Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez...
Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.
Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed... Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009 J Med Chem 2009 19663388
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Cannon J, Tang S, Yang K, Harrison R, Choi SK.
Cannon J, Tang S, Yang K, Harrison R, Choi SK.
Dual acting oximes designed for therapeutic decontamination of reactive organophosphates via catalytic... Cannon J, Tang S, Yang K, Harrison R, Choi SK.: Dual acting oximes designed for therapeutic decontamination of reactive organophosphates via catalytic inactivation and acetylcholinesterase reactivation. RSC Med Chem, Volume 12 (9), 2021 RSC Med Chem 2021 34671741
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Cansfield AD, Ladduwahetty T, Sunose M, Ellard K, Lynch R,...
Cansfield AD, Ladduwahetty T, Sunose M, Ellard K, Lynch R, Newton AL, Lewis A, Bennett G, Zinn N, Thomson DW, Rüger AJ, Feutrill JT, Rausch O, Watt AP, Bergamini G.
CZ415, a Highly Selective mTOR Inhibitor Showing in Vivo Efficacy in a Collagen Induced Arthritis Model. Cansfield AD, Ladduwahetty T, Sunose M, Ellard K, Lynch R, Newton AL, Lewis A, Bennett G, Zinn N, Thomson DW, Rüger AJ, Feutrill JT, Rausch O, Watt AP, Bergamini G.: CZ415, a Highly Selective mTOR Inhibitor Showing in Vivo Efficacy in a Collagen Induced Arthritis Model. ACS Med Chem Lett, Volume 7 (8), 2016 ACS Med Chem Lett 2016 27563401
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Cantin LD, Bayrakdarian M, Buon C, Grazzini E, Hu YJ,...
Cantin LD, Bayrakdarian M, Buon C, Grazzini E, Hu YJ, Labrecque J, Leung C, Luo X, Martino G, Paré M, Payza K, Popovic N, Projean D, Santhakumar V, Walpole C, Yu XH, Tomaszewski MJ.
Discovery of P2X3 selective antagonists for the treatment of chronic pain. Cantin LD, Bayrakdarian M, Buon C, Grazzini E, Hu YJ, Labrecque J, Leung C, Luo X, Martino G, Paré M, Payza K, Popovic N, Projean D, Santhakumar V, Walpole C, Yu XH, Tomaszewski MJ.: Discovery of P2X3 selective antagonists for the treatment of chronic pain. Bioorg Med Chem Lett, Volume 22 (7), 2012 Bioorg Med Chem Lett 2012 22370269
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Cao Y, Xiang TX, Anderson BD.
Cao Y, Xiang TX, Anderson BD.
Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008 Mol Pharm 2008 18355031
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Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y,...
Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.
Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for... Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018 Bioorg Med Chem 2018 29409707
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Cappelli A, Manini M, Valenti S, Castriconi F, Giuliani G,...
Cappelli A, Manini M, Valenti S, Castriconi F, Giuliani G, Anzini M, Brogi S, Butini S, Gemma S, Campiani G, Giorgi G, Mennuni L, Lanza M, Giordani A, Caselli G, Letari O, Makovec F.
Synthesis and structure-activity relationship studies in serotonin 5-HT(1A) receptor agonists based on fused... Cappelli A, Manini M, Valenti S, Castriconi F, Giuliani G, Anzini M, Brogi S, Butini S, Gemma S, Campiani G, Giorgi G, Mennuni L, Lanza M, Giordani A, Caselli G, Letari O, Makovec F.: Synthesis and structure-activity relationship studies in serotonin 5-HT(1A) receptor agonists based on fused pyrrolidone scaffolds. Eur J Med Chem, Volume 63, 2013 Eur J Med Chem 2013 23466604
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Cappelli A, Nannicini C, Gallelli A, Giuliani G, Valenti S,...
Cappelli A, Nannicini C, Gallelli A, Giuliani G, Valenti S, Mohr Gl, Anzini M, Mennuni L, Ferrari F, Caselli G, Giordani A, Peris W, Makovec F, Giorgi G, Vomero S.
Design, synthesis, and biological evaluation of AT1 angiotensin II receptor antagonists based on the... Cappelli A, Nannicini C, Gallelli A, Giuliani G, Valenti S, Mohr Gl, Anzini M, Mennuni L, Ferrari F, Caselli G, Giordani A, Peris W, Makovec F, Giorgi G, Vomero S.: Design, synthesis, and biological evaluation of AT1 angiotensin II receptor antagonists based on the pyrazolo[3,4-b]pyridine and related heteroaromatic bicyclic systems. J Med Chem, Volume 51 (7), 2008 J Med Chem 2008 18318468
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Cappelli A, Pericot Mohr Gl, Giuliani G, Galeazzi S, Anzini...
Cappelli A, Pericot Mohr Gl, Giuliani G, Galeazzi S, Anzini M, Mennuni L, Ferrari F, Makovec F, Kleinrath EM, Langer T, Valoti M, Giorgi G, Vomero S.
Further studies on imidazo[4,5-b]pyridine AT1 angiotensin II receptor antagonists. Effects of the transformation of the... Cappelli A, Pericot Mohr Gl, Giuliani G, Galeazzi S, Anzini M, Mennuni L, Ferrari F, Makovec F, Kleinrath EM, Langer T, Valoti M, Giorgi G, Vomero S.: Further studies on imidazo[4,5-b]pyridine AT1 angiotensin II receptor antagonists. Effects of the transformation of the 4-phenylquinoline backbone into 4-phenylisoquinolinone or 1-phenylindene scaffolds. J Med Chem, Volume 49 (22), 2006 J Med Chem 2006 17064065
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Caravella JA, Lin J, Diebold RB, Campbell AM, Ericsson A,...
Caravella JA, Lin J, Diebold RB, Campbell AM, Ericsson A, Gustafson G, Wang Z, Castro J, Clarke A, Gotur D, Josephine HR, Katz M, Kershaw M, Yao L, Toms AV, Barr KJ, Dinsmore CJ, Walker D, Ashwell S, Lu W.
Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. Caravella JA, Lin J, Diebold RB, Campbell AM, Ericsson A, Gustafson G, Wang Z, Castro J, Clarke A, Gotur D, Josephine HR, Katz M, Kershaw M, Yao L, Toms AV, Barr KJ, Dinsmore CJ, Walker D, Ashwell S, Lu W.: Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. J Med Chem, Volume 63 (4), 2020 J Med Chem 2020 31971798
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Carcache DA, Vulpetti A, Kallen J, Mattes H, Orain D,...
Carcache DA, Vulpetti A, Kallen J, Mattes H, Orain D, Stringer R, Vangrevelinghe E, Wolf RM, Kaupmann K, Ottl J, Dawson J, Cooke NG, Hoegenauer K, Billich A, Wagner J, Guntermann C, Hintermann S.
Optimizing a Weakly Binding Fragment into a Potent RORγt Inverse Agonist with Efficacy in an in Vivo Inflammation... Carcache DA, Vulpetti A, Kallen J, Mattes H, Orain D, Stringer R, Vangrevelinghe E, Wolf RM, Kaupmann K, Ottl J, Dawson J, Cooke NG, Hoegenauer K, Billich A, Wagner J, Guntermann C, Hintermann S.: Optimizing a Weakly Binding Fragment into a Potent RORγt Inverse Agonist with Efficacy in an in Vivo Inflammation Model. J Med Chem, Volume 61 (15), 2018 J Med Chem 2018 29990434
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Carlier PR, Lo MM, Lo PC, Richelson E, Tatsumi M, Reynolds...
Carlier PR, Lo MM, Lo PC, Richelson E, Tatsumi M, Reynolds IJ, Sharma TA.
Synthesis of a potent wide-spectrum serotonin-, norepinephrine-, dopamine-reuptake inhibitor (SNDRI) and a... Carlier PR, Lo MM, Lo PC, Richelson E, Tatsumi M, Reynolds IJ, Sharma TA.: Synthesis of a potent wide-spectrum serotonin-, norepinephrine-, dopamine-reuptake inhibitor (SNDRI) and a species-selective dopamine-reuptake inhibitor based on the gamma-amino alcohol functional group. Bioorg Med Chem Lett, Volume 8 (5), 1998 Bioorg Med Chem Lett 1998 9871604
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL,...
Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL, Broekema M, Rossi KA, Miller KJ, Murphy BJ, Wu G, Malmstrom SE, Azzara AV, Sher PM, Fevig JM, Alt A, Bertekap RL, Cullen MJ, Harper TM, Foster K, Luk E, Xiang Q, Grubb MF, Robl JA, Wacker DA.
Utilization of an Active Site Mutant Receptor for the Identification of Potent and Selective Atypical 5-HT2C... Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL, Broekema M, Rossi KA, Miller KJ, Murphy BJ, Wu G, Malmstrom SE, Azzara AV, Sher PM, Fevig JM, Alt A, Bertekap RL, Cullen MJ, Harper TM, Foster K, Luk E, Xiang Q, Grubb MF, Robl JA, Wacker DA.: Utilization of an Active Site Mutant Receptor for the Identification of Potent and Selective Atypical 5-HT2C Receptor Agonists. J Med Chem, Volume 60 (14), 2017 J Med Chem 2017 28635286
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Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP,...
Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.
A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Carpenter TS, Kirshner DA, Lau EY, Wong SE, Nilmeier JP, Lightstone FC.: A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations. Biophys J, Volume 107 (3), 630-641, 2014 Biophys J 2014 25099802
Total substances: 9
Total passive interactions: 9
Total active interactions: 0
Carrieri A, Muraglia M, Corbo F, Pacifico C.
Carrieri A, Muraglia M, Corbo F, Pacifico C.
2D- and 3D-QSAR of tocainide and mexiletine analogues acting as Na(v)1.4 channel blockers. Carrieri A, Muraglia M, Corbo F, Pacifico C.: 2D- and 3D-QSAR of tocainide and mexiletine analogues acting as Na(v)1.4 channel blockers. Eur J Med Chem, Volume 44 (4), 2009 Eur J Med Chem 2009 19027197
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Carroll FI, Blough BE, Abraham P, Mills AC, Holleman JA,...
Carroll FI, Blough BE, Abraham P, Mills AC, Holleman JA, Wolckenhauer SA, Decker AM, Landavazo A, McElroy KT, Navarro HA, Gatch MB, Forster MJ.
Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for cocaine addiction. Carroll FI, Blough BE, Abraham P, Mills AC, Holleman JA, Wolckenhauer SA, Decker AM, Landavazo A, McElroy KT, Navarro HA, Gatch MB, Forster MJ.: Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for cocaine addiction. J Med Chem, Volume 52 (21), 2009 J Med Chem 2009 19821577
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Carroll FI, Muresan AZ, Blough BE, Navarro HA, Mascarella...
Carroll FI, Muresan AZ, Blough BE, Navarro HA, Mascarella SW, Eaton JB, Huang X, Damaj MI, Lukas RJ.
Synthesis of 2-(substituted phenyl)-3,5,5-trimethylmorpholine analogues and their effects on monoamine uptake,... Carroll FI, Muresan AZ, Blough BE, Navarro HA, Mascarella SW, Eaton JB, Huang X, Damaj MI, Lukas RJ.: Synthesis of 2-(substituted phenyl)-3,5,5-trimethylmorpholine analogues and their effects on monoamine uptake, nicotinic acetylcholine receptor function, and behavioral effects of nicotine. J Med Chem, Volume 54 (5), 2011 J Med Chem 2011 21319801
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Carroll FI, Runyon SP, Abraham P, Navarro H, Kuhar MJ,...
Carroll FI, Runyon SP, Abraham P, Navarro H, Kuhar MJ, Pollard GT, Howard JL.
Monoamine transporter binding, locomotor activity, and drug discrimination properties of... Carroll FI, Runyon SP, Abraham P, Navarro H, Kuhar MJ, Pollard GT, Howard JL.: Monoamine transporter binding, locomotor activity, and drug discrimination properties of 3-(4-substituted-phenyl)tropane-2-carboxylic acid methyl ester isomers. J Med Chem, Volume 47 (25), 2004 J Med Chem 2004 15566309
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Carroll FI.
Carroll FI.
2002 Medicinal Chemistry Division Award address: monoamine transporters and opioid receptors. Targets for addiction... Carroll FI.: 2002 Medicinal Chemistry Division Award address: monoamine transporters and opioid receptors. Targets for addiction therapy. J Med Chem, Volume 46 (10), 2003 J Med Chem 2003 12723940
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Carry JC, Clerc F, Minoux H, Schio L, Mauger J, Nair A,...
Carry JC, Clerc F, Minoux H, Schio L, Mauger J, Nair A, Parmantier E, Le Moigne R, Delorme C, Nicolas JP, Krick A, Abécassis PY, Crocq-Stuerga V, Pouzieux S, Delarbre L, Maignan S, Bertrand T, Bjergarde K, Ma N, Lachaud S, Guizani H, Lebel R, Doerflinger G, Monget S, Perron S, Gasse F, Angouillant-Boniface O, Filoche-Rommé B, Murer M, Gontier S, Prévost C, Monteiro ML, Combeau C.
SAR156497, an exquisitely selective inhibitor of aurora kinases. Carry JC, Clerc F, Minoux H, Schio L, Mauger J, Nair A, Parmantier E, Le Moigne R, Delorme C, Nicolas JP, Krick A, Abécassis PY, Crocq-Stuerga V, Pouzieux S, Delarbre L, Maignan S, Bertrand T, Bjergarde K, Ma N, Lachaud S, Guizani H, Lebel R, Doerflinger G, Monget S, Perron S, Gasse F, Angouillant-Boniface O, Filoche-Rommé B, Murer M, Gontier S, Prévost C, Monteiro ML, Combeau C.: SAR156497, an exquisitely selective inhibitor of aurora kinases. J Med Chem, Volume 58 (1), 2015 J Med Chem 2015 25369539
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Caruso M, Valsasina B, Ballinari D, Bertrand J, Brasca MG,...
Caruso M, Valsasina B, Ballinari D, Bertrand J, Brasca MG, Caldarelli M, Cappella P, Cappella P, Fiorentini F, Gianellini LM, Scolaro A, Beria I.
5-(2-amino-pyrimidin-4-yl)-1H-pyrrole and 2-(2-amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one... Caruso M, Valsasina B, Ballinari D, Bertrand J, Brasca MG, Caldarelli M, Cappella P, Cappella P, Fiorentini F, Gianellini LM, Scolaro A, Beria I.: 5-(2-amino-pyrimidin-4-yl)-1H-pyrrole and 2-(2-amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one derivatives as new classes of selective and orally available Polo-like kinase 1 inhibitors. Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22154349
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Casale E, Amboldi N, Brasca MG, Caronni D, Colombo N,...
Casale E, Amboldi N, Brasca MG, Caronni D, Colombo N, Dalvit C, Felder ER, Fogliatto G, Galvani A, Isacchi A, Polucci P, Riceputi L, Sola F, Visco C, Zuccotto F, Casuscelli F.
Fragment-based hit discovery and structure-based optimization of aminotriazoloquinazolines as novel Hsp90 inhibitors. Casale E, Amboldi N, Brasca MG, Caronni D, Colombo N, Dalvit C, Felder ER, Fogliatto G, Galvani A, Isacchi A, Polucci P, Riceputi L, Sola F, Visco C, Zuccotto F, Casuscelli F.: Fragment-based hit discovery and structure-based optimization of aminotriazoloquinazolines as novel Hsp90 inhibitors. Bioorg Med Chem, Volume 22 (15), 2014 Bioorg Med Chem 2014 24980703
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Cashman JR, Ghirmai S.
Cashman JR, Ghirmai S.
Inhibition of serotonin and norepinephrine reuptake and inhibition of phosphodiesterase by multi-target inhibitors as... Cashman JR, Ghirmai S.: Inhibition of serotonin and norepinephrine reuptake and inhibition of phosphodiesterase by multi-target inhibitors as potential agents for depression. Bioorg Med Chem, Volume 17 (19), 2009 Bioorg Med Chem 2009 19740668
Total substances: 4
Total passive interactions: 0
Total active interactions: 5
Cashman JR, Voelker T, Johnson R, Janowsky A.
Cashman JR, Voelker T, Johnson R, Janowsky A.
Stereoselective inhibition of serotonin re-uptake and phosphodiesterase by dual inhibitors as potential agents for... Cashman JR, Voelker T, Johnson R, Janowsky A.: Stereoselective inhibition of serotonin re-uptake and phosphodiesterase by dual inhibitors as potential agents for depression. Bioorg Med Chem, Volume 17 (1), 2009 Bioorg Med Chem 2009 19014888
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Casimiro-Garcia A, Heemstra RJ, Bigge CF, Chen J, Ciske FA,...
Casimiro-Garcia A, Heemstra RJ, Bigge CF, Chen J, Ciske FA, Davis JA, Ellis T, Esmaeil N, Flynn D, Han S, Jalaie M, Ohren JF, Powell NA.
Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type... Casimiro-Garcia A, Heemstra RJ, Bigge CF, Chen J, Ciske FA, Davis JA, Ellis T, Esmaeil N, Flynn D, Han S, Jalaie M, Ohren JF, Powell NA.: Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-γ. Bioorg Med Chem Lett, Volume 23 (3), 2013 Bioorg Med Chem Lett 2013 23265881
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Castanedo GM, Blaquiere N, Beresini M, Bravo B, Brightbill...
Castanedo GM, Blaquiere N, Beresini M, Bravo B, Brightbill H, Chen J, Cui HF, Eigenbrot C, Everett C, Feng J, Godemann R, Gogol E, Hymowitz S, Johnson A, Kayagaki N, Kohli PB, Knüppel K, Kraemer J, Krüger S, Loke P, McEwan P, Montalbetti C, Roberts DA, Smith M, Steinbacher S, Sujatha-Bhaskar S, Takahashi R, Wang X, Wu LC, Zhang Y, Staben ST.
Structure-Based Design of Tricyclic NF-κB Inducing Kinase (NIK) Inhibitors That Have High Selectivity over... Castanedo GM, Blaquiere N, Beresini M, Bravo B, Brightbill H, Chen J, Cui HF, Eigenbrot C, Everett C, Feng J, Godemann R, Gogol E, Hymowitz S, Johnson A, Kayagaki N, Kohli PB, Knüppel K, Kraemer J, Krüger S, Loke P, McEwan P, Montalbetti C, Roberts DA, Smith M, Steinbacher S, Sujatha-Bhaskar S, Takahashi R, Wang X, Wu LC, Zhang Y, Staben ST.: Structure-Based Design of Tricyclic NF-κB Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J Med Chem, Volume 60 (2), 2017 J Med Chem 2017 28005357
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Casuscelli F, Ardini E, Avanzi N, Casale E, Cervi G,...
Casuscelli F, Ardini E, Avanzi N, Casale E, Cervi G, D'Anello M, Donati D, Faiardi D, Ferguson RD, Fogliatto G, Galvani A, Marsiglio A, Mirizzi DG, Montemartini M, Orrenius C, Papeo G, Piutti C, Salom B, Felder ER.
Discovery and optimization of pyrrolo[1,2-a]pyrazinones leads to novel and selective inhibitors of PIM kinases. Casuscelli F, Ardini E, Avanzi N, Casale E, Cervi G, D'Anello M, Donati D, Faiardi D, Ferguson RD, Fogliatto G, Galvani A, Marsiglio A, Mirizzi DG, Montemartini M, Orrenius C, Papeo G, Piutti C, Salom B, Felder ER.: Discovery and optimization of pyrrolo[1,2-a]pyrazinones leads to novel and selective inhibitors of PIM kinases. Bioorg Med Chem, Volume 21 (23), 2013 Bioorg Med Chem 2013 24139169
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Catalano A, Desaphy JF, Lentini G, Carocci A, Di Mola A,...
Catalano A, Desaphy JF, Lentini G, Carocci A, Di Mola A, Bruno C, Carbonara R, De Palma A, Budriesi R, Ghelardini C, Perrone MG, Colabufo NA, Conte Camerino D, Franchini C.
Synthesis and toxicopharmacological evaluation of m-hydroxymexiletine, the first metabolite of mexiletine more potent... Catalano A, Desaphy JF, Lentini G, Carocci A, Di Mola A, Bruno C, Carbonara R, De Palma A, Budriesi R, Ghelardini C, Perrone MG, Colabufo NA, Conte Camerino D, Franchini C.: Synthesis and toxicopharmacological evaluation of m-hydroxymexiletine, the first metabolite of mexiletine more potent than the parent compound on voltage-gated sodium channels. J Med Chem, Volume 55 (3), 2012 J Med Chem 2012 22191686
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Cerri A, Almirante N, Barassi P, Benicchio A, De Munari S,...
Cerri A, Almirante N, Barassi P, Benicchio A, De Munari S, Marazzi G, Molinari I, Serra F, Melloni P.
Synthesis and inotropic activity of 1-(O-aminoalkyloximes) of perhydroindene derivatives as simplified digitalis-like... Cerri A, Almirante N, Barassi P, Benicchio A, De Munari S, Marazzi G, Molinari I, Serra F, Melloni P.: Synthesis and inotropic activity of 1-(O-aminoalkyloximes) of perhydroindene derivatives as simplified digitalis-like compounds acting on the Na(+),K(+)-ATPase. J Med Chem, Volume 45 (1), 2002 J Med Chem 2002 11754591
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Certal V, Carry JC, Halley F, Virone-Oddos A, Thompson F,...
Certal V, Carry JC, Halley F, Virone-Oddos A, Thompson F, Filoche-Rommé B, El-Ahmad Y, Karlsson A, Charrier V, Delorme C, Rak A, Abecassis PY, Amara C, Vincent L, Bonnevaux H, Nicolas JP, Mathieu M, Bertrand T, Marquette JP, Michot N, Benard T, Perrin MA, Lemaitre O, Guerif S, Perron S, Monget S, Gruss-Leleu F, Doerflinger G, Guizani H, Brollo M, Delbarre L, Bertin L, Richepin P, Loyau V, Garcia-Echeverria C, Lengauer C, Schio L.
Discovery and optimization of pyrimidone indoline amide PI3Kβ inhibitors for the treatment of phosphatase and tensin... Certal V, Carry JC, Halley F, Virone-Oddos A, Thompson F, Filoche-Rommé B, El-Ahmad Y, Karlsson A, Charrier V, Delorme C, Rak A, Abecassis PY, Amara C, Vincent L, Bonnevaux H, Nicolas JP, Mathieu M, Bertrand T, Marquette JP, Michot N, Benard T, Perrin MA, Lemaitre O, Guerif S, Perron S, Monget S, Gruss-Leleu F, Doerflinger G, Guizani H, Brollo M, Delbarre L, Bertin L, Richepin P, Loyau V, Garcia-Echeverria C, Lengauer C, Schio L.: Discovery and optimization of pyrimidone indoline amide PI3Kβ inhibitors for the treatment of phosphatase and tensin homologue (PTEN)-deficient cancers. J Med Chem, Volume 57 (3), 2014 J Med Chem 2014 24387221
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Certal V, Halley F, Virone-Oddos A, Delorme C, Karlsson A,...
Certal V, Halley F, Virone-Oddos A, Delorme C, Karlsson A, Rak A, Thompson F, Filoche-Rommé B, El-Ahmad Y, Carry JC, Abecassis PY, Lejeune P, Vincent L, Bonnevaux H, Nicolas JP, Bertrand T, Marquette JP, Michot N, Benard T, Below P, Vade I, Chatreaux F, Lebourg G, Pilorge F, Angouillant-Boniface O, Louboutin A, Lengauer C, Schio L.
Discovery and optimization of new benzimidazole- and benzoxazole-pyrimidone selective PI3Kβ inhibitors for the... Certal V, Halley F, Virone-Oddos A, Delorme C, Karlsson A, Rak A, Thompson F, Filoche-Rommé B, El-Ahmad Y, Carry JC, Abecassis PY, Lejeune P, Vincent L, Bonnevaux H, Nicolas JP, Bertrand T, Marquette JP, Michot N, Benard T, Below P, Vade I, Chatreaux F, Lebourg G, Pilorge F, Angouillant-Boniface O, Louboutin A, Lengauer C, Schio L.: Discovery and optimization of new benzimidazole- and benzoxazole-pyrimidone selective PI3Kβ inhibitors for the treatment of phosphatase and TENsin homologue (PTEN)-deficient cancers. J Med Chem, Volume 55 (10), 2012 J Med Chem 2012 22524426
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Certal V, Halley F, Virone-Oddos A, Filoche-Rommé B, Carry...
Certal V, Halley F, Virone-Oddos A, Filoche-Rommé B, Carry JC, Gruss-Leleu F, Bertin L, Guizani H, Pilorge F, Richepin P, Karlsson A, Charrier V, Abecassis PY, Vincent L, Nicolas JP, Lengauer C, Garcia-Echeverria C, Schio L.
Preparation and optimization of new 4-(2-(indolin-1-yl)-2-oxoethyl)-2-morpholinothiazole-5-carboxylic acid and amide... Certal V, Halley F, Virone-Oddos A, Filoche-Rommé B, Carry JC, Gruss-Leleu F, Bertin L, Guizani H, Pilorge F, Richepin P, Karlsson A, Charrier V, Abecassis PY, Vincent L, Nicolas JP, Lengauer C, Garcia-Echeverria C, Schio L.: Preparation and optimization of new 4-(2-(indolin-1-yl)-2-oxoethyl)-2-morpholinothiazole-5-carboxylic acid and amide derivatives as potent and selective PI3Kβ inhibitors. Bioorg Med Chem Lett, Volume 24 (6), 2014 Bioorg Med Chem Lett 2014 24560540
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Certal V, Halley F, Virone-Oddos A, Thompson F,...
Certal V, Halley F, Virone-Oddos A, Thompson F, Filoche-Rommé B, El-Ahmad Y, Carry JC, Delorme C, Karlsson A, Abecassis PY, Vincent L, Bonnevaux H, Nicolas JP, Morales R, Michot N, Vade I, Louboutin A, Perron S, Doerflinger G, Tric B, Monget S, Lengauer C, Schio L.
Preparation and optimization of new 4-(morpholin-4-yl)-(6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives as PI3Kβ... Certal V, Halley F, Virone-Oddos A, Thompson F, Filoche-Rommé B, El-Ahmad Y, Carry JC, Delorme C, Karlsson A, Abecassis PY, Vincent L, Bonnevaux H, Nicolas JP, Morales R, Michot N, Vade I, Louboutin A, Perron S, Doerflinger G, Tric B, Monget S, Lengauer C, Schio L.: Preparation and optimization of new 4-(morpholin-4-yl)-(6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives as PI3Kβ inhibitors. Bioorg Med Chem Lett, Volume 22 (20), 2012 Bioorg Med Chem Lett 2012 22981333
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Cha SH, Sekine T, Fukushima JI, Kanai Y, Kobayashi Y, Goya...
Cha SH, Sekine T, Fukushima JI, Kanai Y, Kobayashi Y, Goya T, Endou H.
Identification and characterization of human organic anion transporter 3 expressing predominantly in the kidney. Cha SH, Sekine T, Fukushima JI, Kanai Y, Kobayashi Y, Goya T, Endou H.: Identification and characterization of human organic anion transporter 3 expressing predominantly in the kidney. Mol Pharmacol, Volume 59 (5), 2001 Mol Pharmacol 2001 11306713
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Cha SH, Sekine T, Kusuhara H, Yu E, Kim JY, Kim DK,...
Cha SH, Sekine T, Kusuhara H, Yu E, Kim JY, Kim DK, Sugiyama Y, Kanai Y, Endou H.
Molecular cloning and characterization of multispecific organic anion transporter 4 expressed in the placenta. Cha SH, Sekine T, Kusuhara H, Yu E, Kim JY, Kim DK, Sugiyama Y, Kanai Y, Endou H.: Molecular cloning and characterization of multispecific organic anion transporter 4 expressed in the placenta. J Biol Chem, Volume 275 (6), 2000 J Biol Chem 2000 10660625
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Chai W, Breitenbucher JG, Kwok A, Li X, Wong V, Carruthers...
Chai W, Breitenbucher JG, Kwok A, Li X, Wong V, Carruthers NI, Lovenberg TW, Mazur C, Wilson SJ, Axe FU, Jones TK.
Non-imidazole heterocyclic histamine H3 receptor antagonists. Chai W, Breitenbucher JG, Kwok A, Li X, Wong V, Carruthers NI, Lovenberg TW, Mazur C, Wilson SJ, Axe FU, Jones TK.: Non-imidazole heterocyclic histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (10), 2003 Bioorg Med Chem Lett 2003 12729661
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Chambers RJ, Abrams K, Garceau NY, Kamath AV, Manley CM,...
Chambers RJ, Abrams K, Garceau NY, Kamath AV, Manley CM, Lilley SC, Otte DA, Scott DO, Sheils AL, Tess DA, Vellekoop AS, Zhang Y, Lam KT.
A new chemical tool for exploring the physiological function of the PDE2 isozyme. Chambers RJ, Abrams K, Garceau NY, Kamath AV, Manley CM, Lilley SC, Otte DA, Scott DO, Sheils AL, Tess DA, Vellekoop AS, Zhang Y, Lam KT.: A new chemical tool for exploring the physiological function of the PDE2 isozyme. Bioorg Med Chem Lett, Volume 16 (2), 2006 Bioorg Med Chem Lett 2006 16275071
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Chan BS, Endo S, Kanai N, Schuster VL.
Chan BS, Endo S, Kanai N, Schuster VL.
Identification of lactate as a driving force for prostanoid transport by prostaglandin transporter PGT. Chan BS, Endo S, Kanai N, Schuster VL.: Identification of lactate as a driving force for prostanoid transport by prostaglandin transporter PGT. Am J Physiol Renal Physiol, Volume 282 (6), 2002 Am J Physiol Renal Physiol 2002 11997326
Total substances: 8
Total passive interactions: 0
Total active interactions: 10
Chan E, Amon M, Marano RJ, Wimmer N, Kearns PS, Manolios N,...
Chan E, Amon M, Marano RJ, Wimmer N, Kearns PS, Manolios N, Rakoczy PE, Toth I.
Novel cationic lipophilic peptides for oligodeoxynucleotide delivery. Chan E, Amon M, Marano RJ, Wimmer N, Kearns PS, Manolios N, Rakoczy PE, Toth I.: Novel cationic lipophilic peptides for oligodeoxynucleotide delivery. Bioorg Med Chem, Volume 15 (12), 2007 Bioorg Med Chem 2007 17420133
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Chandrasekhar J, Dick R, Van Veldhuizen J, Koditek D,...
Chandrasekhar J, Dick R, Van Veldhuizen J, Koditek D, Lepist EI, McGrath ME, Patel L, Phillips G, Sedillo K, Somoza JR, Therrien J, Till NA, Treiberg J, Villaseñor AG, Zherebina Y, Perreault S.
Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) β Inhibitor. Chandrasekhar J, Dick R, Van Veldhuizen J, Koditek D, Lepist EI, McGrath ME, Patel L, Phillips G, Sedillo K, Somoza JR, Therrien J, Till NA, Treiberg J, Villaseñor AG, Zherebina Y, Perreault S.: Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) β Inhibitor. J Med Chem, Volume 61 (15), 2018 J Med Chem 2018 30015489
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Chao H, Turdi H, Herpin TF, Roberge JY, Liu Y, Schnur DM,...
Chao H, Turdi H, Herpin TF, Roberge JY, Liu Y, Schnur DM, Poss MA, Rehfuss R, Hua J, Wu Q, Price LA, Abell LM, Schumacher WA, Bostwick JS, Steinbacher TE, Stewart AB, Ogletree ML, Huang CS, Chang M, Cacace AM, Arcuri MJ, Celani D, Wexler RR, Lawrence RM.
Discovery of 2-(phenoxypyridine)-3-phenylureas as small molecule P2Y1 antagonists. Chao H, Turdi H, Herpin TF, Roberge JY, Liu Y, Schnur DM, Poss MA, Rehfuss R, Hua J, Wu Q, Price LA, Abell LM, Schumacher WA, Bostwick JS, Steinbacher TE, Stewart AB, Ogletree ML, Huang CS, Chang M, Cacace AM, Arcuri MJ, Celani D, Wexler RR, Lawrence RM.: Discovery of 2-(phenoxypyridine)-3-phenylureas as small molecule P2Y1 antagonists. J Med Chem, Volume 56 (4), 2013 J Med Chem 2013 23368907
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Chao J, Enyedy I, Van Vloten K, Marcotte D, Guertin K,...
Chao J, Enyedy I, Van Vloten K, Marcotte D, Guertin K, Hutchings R, Powell N, Jones H, Bohnert T, Peng CC, Silvian L, Hong VS, Little K, Banerjee D, Peng L, Taveras A, Viney JL, Fontenot J.
Discovery of biaryl carboxylamides as potent RORγ inverse agonists. Chao J, Enyedy I, Van Vloten K, Marcotte D, Guertin K, Hutchings R, Powell N, Jones H, Bohnert T, Peng CC, Silvian L, Hong VS, Little K, Banerjee D, Peng L, Taveras A, Viney JL, Fontenot J.: Discovery of biaryl carboxylamides as potent RORγ inverse agonists. Bioorg Med Chem Lett, Volume 25 (15), 2015 Bioorg Med Chem Lett 2015 26048806
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Chapman TM, Gillen KJ, Wallace C, Lee MT, Bakrania P,...
Chapman TM, Gillen KJ, Wallace C, Lee MT, Bakrania P, Khurana P, Coombs PJ, Stennett L, Fox S, Bureau EA, Brownlees J, Melton DW, Saxty B.
Catechols and 3-hydroxypyridones as inhibitors of the DNA repair complex ERCC1-XPF. Chapman TM, Gillen KJ, Wallace C, Lee MT, Bakrania P, Khurana P, Coombs PJ, Stennett L, Fox S, Bureau EA, Brownlees J, Melton DW, Saxty B.: Catechols and 3-hydroxypyridones as inhibitors of the DNA repair complex ERCC1-XPF. Bioorg Med Chem Lett, Volume 25 (19), 2015 Bioorg Med Chem Lett 2015 26318993
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Chapman TM, Osborne SA, Bouloc N, Large JM, Wallace C,...
Chapman TM, Osborne SA, Bouloc N, Large JM, Wallace C, Birchall K, Ansell KH, Jones HM, Taylor D, Clough B, Green JL, Holder AA.
Substituted imidazopyridazines are potent and selective inhibitors of Plasmodium falciparum calcium-dependent protein... Chapman TM, Osborne SA, Bouloc N, Large JM, Wallace C, Birchall K, Ansell KH, Jones HM, Taylor D, Clough B, Green JL, Holder AA.: Substituted imidazopyridazines are potent and selective inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). Bioorg Med Chem Lett, Volume 23 (10), 2013 Bioorg Med Chem Lett 2013 23570789
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Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N,...
Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.
Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1... Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014 J Med Chem 2014 24689770
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Chapman TM, Wallace C, Gillen KJ, Bakrania P, Khurana P,...
Chapman TM, Wallace C, Gillen KJ, Bakrania P, Khurana P, Coombs PJ, Fox S, Bureau EA, Brownlees J, Melton DW, Saxty B.
N-Hydroxyimides and hydroxypyrimidinones as inhibitors of the DNA repair complex ERCC1-XPF. Chapman TM, Wallace C, Gillen KJ, Bakrania P, Khurana P, Coombs PJ, Fox S, Bureau EA, Brownlees J, Melton DW, Saxty B.: N-Hydroxyimides and hydroxypyrimidinones as inhibitors of the DNA repair complex ERCC1-XPF. Bioorg Med Chem Lett, Volume 25 (19), 2015 Bioorg Med Chem Lett 2015 26321360
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Chappie TA, Abdelmessih M, Ambroise CW, Boehm M, Cai M,...
Chappie TA, Abdelmessih M, Ambroise CW, Boehm M, Cai M, Green M, Guilmette E, Steppan CM, Stevens LM, Wei L, Xi S, Hasson SA.
Discovery of Small-Molecule CD33 Pre-mRNA Splicing Modulators. Chappie TA, Abdelmessih M, Ambroise CW, Boehm M, Cai M, Green M, Guilmette E, Steppan CM, Stevens LM, Wei L, Xi S, Hasson SA.: Discovery of Small-Molecule CD33 Pre-mRNA Splicing Modulators. ACS Med Chem Lett, Volume 13 (1), 2022 ACS Med Chem Lett 2022 35059124
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Charrier JD, Durrant SJ, Golec JM, Kay DP, Knegtel RM,...
Charrier JD, Durrant SJ, Golec JM, Kay DP, Knegtel RM, MacCormick S, Mortimore M, O'Donnell ME, Pinder JL, Reaper PM, Rutherford AP, Wang PS, Young SC, Pollard JR.
Discovery of potent and selective inhibitors of ataxia telangiectasia mutated and Rad3 related (ATR) protein kinase as... Charrier JD, Durrant SJ, Golec JM, Kay DP, Knegtel RM, MacCormick S, Mortimore M, O'Donnell ME, Pinder JL, Reaper PM, Rutherford AP, Wang PS, Young SC, Pollard JR.: Discovery of potent and selective inhibitors of ataxia telangiectasia mutated and Rad3 related (ATR) protein kinase as potential anticancer agents. J Med Chem, Volume 54 (7), 2011 J Med Chem 2011 21413798
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Charrier JD, Durrant SJ, Studley J, Lawes L, Weber P.
Charrier JD, Durrant SJ, Studley J, Lawes L, Weber P.
Synthesis and evaluation of novel prodrugs of caspase inhibitors. Charrier JD, Durrant SJ, Studley J, Lawes L, Weber P.: Synthesis and evaluation of novel prodrugs of caspase inhibitors. Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22104150
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Charrier JD, Miller A, Kay DP, Brenchley G, Twin HC,...
Charrier JD, Miller A, Kay DP, Brenchley G, Twin HC, Collier PN, Ramaya S, Keily SB, Durrant SJ, Knegtel RM, Tanner AJ, Brown K, Curnock AP, Jimenez JM.
Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible... Charrier JD, Miller A, Kay DP, Brenchley G, Twin HC, Collier PN, Ramaya S, Keily SB, Durrant SJ, Knegtel RM, Tanner AJ, Brown K, Curnock AP, Jimenez JM.: Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible T-cell kinase (Itk) inhibitors. J Med Chem, Volume 54 (7), 2011 J Med Chem 2011 21391610
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Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A,...
Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.
Multiple N-methylation by a designed approach enhances receptor selectivity. Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007 J Med Chem 2007 17973471
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Chaturvedula PV, Mercer SE, Pin SS, Thalody G, Xu C, Conway...
Chaturvedula PV, Mercer SE, Pin SS, Thalody G, Xu C, Conway CM, Keavy D, Signor L, Cantor GH, Mathias N, Moench P, Denton R, Macci R, Schartman R, Whiterock V, Davis C, Macor JE, Dubowchik GM.
Discovery of... Chaturvedula PV, Mercer SE, Pin SS, Thalody G, Xu C, Conway CM, Keavy D, Signor L, Cantor GH, Mathias N, Moench P, Denton R, Macci R, Schartman R, Whiterock V, Davis C, Macor JE, Dubowchik GM.: Discovery of (R)-N-(3-(7-methyl-1H-indazol-5-yl)-1-(4-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide (BMS-742413): a potent human CGRP antagonist with superior safety profile for the treatment of migraine through intranasal delivery. Bioorg Med Chem Lett, Volume 23 (11), 2013 Bioorg Med Chem Lett 2013 23632269
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Chatzopoulou M, Claridge TDW, Davies KE, Davies SG, Elsey...
Chatzopoulou M, Claridge TDW, Davies KE, Davies SG, Elsey DJ, Emer E, Fletcher AM, Harriman S, Robinson N, Rowley JA, Russell AJ, Tinsley JM, Weaver R, Wilkinson IVL, Willis NJ, Wilson FX, Wynne GM.
Isolation, Structural Identification, Synthesis, and Pharmacological Profiling of 1,2-trans-Dihydro-1,2-diol... Chatzopoulou M, Claridge TDW, Davies KE, Davies SG, Elsey DJ, Emer E, Fletcher AM, Harriman S, Robinson N, Rowley JA, Russell AJ, Tinsley JM, Weaver R, Wilkinson IVL, Willis NJ, Wilson FX, Wynne GM.: Isolation, Structural Identification, Synthesis, and Pharmacological Profiling of 1,2-trans-Dihydro-1,2-diol Metabolites of the Utrophin Modulator Ezutromid. J Med Chem, Volume 63 (5), 2020 J Med Chem 2020 31599580
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Chatzopoulou M, Emer E, Lecci C, Rowley JA, Casagrande AS,...
Chatzopoulou M, Emer E, Lecci C, Rowley JA, Casagrande AS, Moir L, Squire SE, Davies SG, Harriman S, Wynne GM, Wilson FX, Davies KE, Russell AJ.
Decreasing HepG2 Cytotoxicity by Lowering the Lipophilicity of Benzo[d]oxazolephosphinate Ester Utrophin Modulators. Chatzopoulou M, Emer E, Lecci C, Rowley JA, Casagrande AS, Moir L, Squire SE, Davies SG, Harriman S, Wynne GM, Wilson FX, Davies KE, Russell AJ.: Decreasing HepG2 Cytotoxicity by Lowering the Lipophilicity of Benzo[d]oxazolephosphinate Ester Utrophin Modulators. ACS Med Chem Lett, Volume 11 (12), 2020 ACS Med Chem Lett 2020 33335663
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Chavarría C, Perez DI, Pérez C, Morales Garcia JA,...
Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.
Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012 Eur J Med Chem 2012 23085773
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Roche
Roche
Roche carnitine palmitoyltransferase modulator screening data (supplementary data associated with the publication... CHEMBL dataset: 10.6019/CHEMBL3431459 10.6019/CHEMBL3...
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Chen C, Dyck B, Fleck BA, Foster AC, Grey J, Jovic F,...
Chen C, Dyck B, Fleck BA, Foster AC, Grey J, Jovic F, Mesleh M, Phan K, Tamiya J, Vickers T, Zhang M.
Studies on the SAR and pharmacophore of milnacipran derivatives as monoamine transporter inhibitors. Chen C, Dyck B, Fleck BA, Foster AC, Grey J, Jovic F, Mesleh M, Phan K, Tamiya J, Vickers T, Zhang M.: Studies on the SAR and pharmacophore of milnacipran derivatives as monoamine transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (4), 2008 Bioorg Med Chem Lett 2008 18207394
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Chen C, Jiang W, Tran JA, Tucci FC, Fleck BA, Markison S,...
Chen C, Jiang W, Tran JA, Tucci FC, Fleck BA, Markison S, Wen J, Madan A, Hoare SR, Foster AC, Marinkovic D, Chen CW, Arellano M, Saunders J.
Identification and characterization of pyrrolidine diastereoisomers as potent functional agonists and antagonists of... Chen C, Jiang W, Tran JA, Tucci FC, Fleck BA, Markison S, Wen J, Madan A, Hoare SR, Foster AC, Marinkovic D, Chen CW, Arellano M, Saunders J.: Identification and characterization of pyrrolidine diastereoisomers as potent functional agonists and antagonists of the human melanocortin-4 receptor. Bioorg Med Chem Lett, Volume 18 (1), 2008 Bioorg Med Chem Lett 2008 18032040
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Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR,...
Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR, Joppa M, Markison S, Wen J, Sai Y, Johns M, Madan A, Chen T, Chen CW, Marinkovic D, Arellano M, Saunders J, Foster AC.
Discovery of... Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR, Joppa M, Markison S, Wen J, Sai Y, Johns M, Madan A, Chen T, Chen CW, Marinkovic D, Arellano M, Saunders J, Foster AC.: Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. J Med Chem, Volume 50 (22), 2007 J Med Chem 2007 17918824
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Chen C, Mireles RJ, Campbell SD, Lin J, Mills JB, Xu JJ,...
Chen C, Mireles RJ, Campbell SD, Lin J, Mills JB, Xu JJ, Smolarek TA.
Differential interaction of 3-hydroxy-3-methylglutaryl-coa reductase inhibitors with ABCB1, ABCC2, and OATP1B1. Chen C, Mireles RJ, Campbell SD, Lin J, Mills JB, Xu JJ, Smolarek TA.: Differential interaction of 3-hydroxy-3-methylglutaryl-coa reductase inhibitors with ABCB1, ABCC2, and OATP1B1. Drug Metab Dispos, Volume 33 (4), 2005 Drug Metab Dispos 2005 15616150
Total substances: 9
Total passive interactions: 0
Total active interactions: 15
Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen...
Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.
Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as... Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008 Bioorg Med Chem 2008 18417348
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Chen C, Wu D, Guo Z, Xie Q, Reinhart GJ, Madan A, Wen J,...
Chen C, Wu D, Guo Z, Xie Q, Reinhart GJ, Madan A, Wen J, Chen T, Huang CQ, Chen M, Chen Y, Tucci FC, Rowbottom M, Pontillo J, Zhu YF, Wade W, Saunders J, Bozigian H, Struthers RS.
Discovery of sodium... Chen C, Wu D, Guo Z, Xie Q, Reinhart GJ, Madan A, Wen J, Chen T, Huang CQ, Chen M, Chen Y, Tucci FC, Rowbottom M, Pontillo J, Zhu YF, Wade W, Saunders J, Bozigian H, Struthers RS.: Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem, Volume 51 (23), 2008 J Med Chem 2008 19006286
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Chen D, Tan X, Chen W, Liu Y, Li C, Wu J, Zheng J, Shen HC,...
Chen D, Tan X, Chen W, Liu Y, Li C, Wu J, Zheng J, Shen HC, Zhang M, Wu W, Wang L, Xiong J, Dai J, Sun K, Zhang JD, Xiang K, Li B, Ni X, Zhu Q, Gao L, Wang L, Feng S.
Discovery of Novel cccDNA Reducers toward the Cure of Hepatitis B Virus Infection. Chen D, Tan X, Chen W, Liu Y, Li C, Wu J, Zheng J, Shen HC, Zhang M, Wu W, Wang L, Xiong J, Dai J, Sun K, Zhang JD, Xiang K, Li B, Ni X, Zhu Q, Gao L, Wang L, Feng S.: Discovery of Novel cccDNA Reducers toward the Cure of Hepatitis B Virus Infection. J Med Chem, Volume 65 (16), 2022 J Med Chem 2022 35973101
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Chen EC, Khuri N, Liang X, Stecula A, Chien HC, Yee SW,...
Chen EC, Khuri N, Liang X, Stecula A, Chien HC, Yee SW, Huang Y, Sali A, Giacomini KM.
Discovery of Competitive and Noncompetitive Ligands of the Organic Cation Transporter 1 (OCT1; SLC22A1). Chen EC, Khuri N, Liang X, Stecula A, Chien HC, Yee SW, Huang Y, Sali A, Giacomini KM.: Discovery of Competitive and Noncompetitive Ligands of the Organic Cation Transporter 1 (OCT1; SLC22A1). J Med Chem, Volume 60 (7), 2017 J Med Chem 2017 28230985
Total substances: 28
Total passive interactions: 0
Total active interactions: 28
Chen H, Volgraf M, Do S, Kolesnikov A, Shore DG, Verma VA,...
Chen H, Volgraf M, Do S, Kolesnikov A, Shore DG, Verma VA, Villemure E, Wang L, Chen Y, Hu B, Lu AJ, Wu G, Xu X, Yuen PW, Zhang Y, Erickson SD, Dahl M, Brotherton-Pleiss C, Tay S, Ly JQ, Murray LJ, Chen J, Amm D, Lange W, Hackos DH, Reese RM, Shields SD, Lyssikatos JP, Safina BS, Estrada AA.
Discovery of a Potent (4 R,5 S)-4-Fluoro-5-methylproline Sulfonamide Transient Receptor Potential Ankyrin 1 Antagonist... Chen H, Volgraf M, Do S, Kolesnikov A, Shore DG, Verma VA, Villemure E, Wang L, Chen Y, Hu B, Lu AJ, Wu G, Xu X, Yuen PW, Zhang Y, Erickson SD, Dahl M, Brotherton-Pleiss C, Tay S, Ly JQ, Murray LJ, Chen J, Amm D, Lange W, Hackos DH, Reese RM, Shields SD, Lyssikatos JP, Safina BS, Estrada AA.: Discovery of a Potent (4 R,5 S)-4-Fluoro-5-methylproline Sulfonamide Transient Receptor Potential Ankyrin 1 Antagonist and Its Methylene Phosphate Prodrug Guided by Molecular Modeling. J Med Chem, Volume 61 (8), 2018 J Med Chem 2018 29590749
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Chen KX, Vibulbhan B, Yang W, Sannigrahi M, Velazquez F,...
Chen KX, Vibulbhan B, Yang W, Sannigrahi M, Velazquez F, Chan TY, Venkatraman S, Anilkumar GN, Zeng Q, Bennet F, Jiang Y, Lesburg CA, Duca J, Pinto P, Gavalas S, Huang Y, Wu W, Selyutin O, Agrawal S, Feld B, Huang HC, Li C, Cheng KC, Shih NY, Kozlowski JA, Rosenblum SB, Njoroge FG.
Structure-activity relationship (SAR) development and discovery of potent indole-based inhibitors of the hepatitis C... Chen KX, Vibulbhan B, Yang W, Sannigrahi M, Velazquez F, Chan TY, Venkatraman S, Anilkumar GN, Zeng Q, Bennet F, Jiang Y, Lesburg CA, Duca J, Pinto P, Gavalas S, Huang Y, Wu W, Selyutin O, Agrawal S, Feld B, Huang HC, Li C, Cheng KC, Shih NY, Kozlowski JA, Rosenblum SB, Njoroge FG.: Structure-activity relationship (SAR) development and discovery of potent indole-based inhibitors of the hepatitis C virus (HCV) NS5B polymerase. J Med Chem, Volume 55 (2), 2012 J Med Chem 2012 22148957
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Chen L, Takizawa M, Chen E, Schlessinger A, Segenthelar J,...
Chen L, Takizawa M, Chen E, Schlessinger A, Segenthelar J, Choi JH, Sali A, Kubo M, Nakamura S, Iwamoto Y, Iwasaki N, Giacomini KM.
Genetic polymorphisms in organic cation transporter 1 (OCT1) in Chinese and Japanese populations exhibit altered... Chen L, Takizawa M, Chen E, Schlessinger A, Segenthelar J, Choi JH, Sali A, Kubo M, Nakamura S, Iwamoto Y, Iwasaki N, Giacomini KM.: Genetic polymorphisms in organic cation transporter 1 (OCT1) in Chinese and Japanese populations exhibit altered function. J Pharmacol Exp Ther, Volume 335 (1), 2010 J Pharmacol Exp Ther 2010 20639304
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Chen LQ, Chahine M, Kallen RG, Barchi RL, Horn R.
Chen LQ, Chahine M, Kallen RG, Barchi RL, Horn R.
Chimeric study of sodium channels from rat skeletal and cardiac muscle. Chen LQ, Chahine M, Kallen RG, Barchi RL, Horn R.: Chimeric study of sodium channels from rat skeletal and cardiac muscle. FEBS Lett, Volume 309 (3), 1992 FEBS Lett 1992 1325372
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Chen T, Benmohamed R, Arvanites AC, Ralay Ranaivo H,...
Chen T, Benmohamed R, Arvanites AC, Ralay Ranaivo H, Morimoto RI, Ferrante RJ, Watterson DM, Kirsch DR, Silverman RB.
Arylsulfanyl pyrazolones block mutant SOD1-G93A aggregation. Potential application for the treatment of amyotrophic... Chen T, Benmohamed R, Arvanites AC, Ralay Ranaivo H, Morimoto RI, Ferrante RJ, Watterson DM, Kirsch DR, Silverman RB.: Arylsulfanyl pyrazolones block mutant SOD1-G93A aggregation. Potential application for the treatment of amyotrophic lateral sclerosis. Bioorg Med Chem, Volume 19 (1), 2011 Bioorg Med Chem 2011 21095130
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Chen T, Benmohamed R, Kim J, Smith K, Amante D, Morimoto...
Chen T, Benmohamed R, Kim J, Smith K, Amante D, Morimoto RI, Kirsch DR, Ferrante RJ, Silverman RB.
ADME-guided design and synthesis of aryloxanyl pyrazolone derivatives to block mutant superoxide dismutase 1 (SOD1)... Chen T, Benmohamed R, Kim J, Smith K, Amante D, Morimoto RI, Kirsch DR, Ferrante RJ, Silverman RB.: ADME-guided design and synthesis of aryloxanyl pyrazolone derivatives to block mutant superoxide dismutase 1 (SOD1) cytotoxicity and protein aggregation: potential application for the treatment of amyotrophic lateral sclerosis. J Med Chem, Volume 55 (1), 2012 J Med Chem 2012 22191331
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Chen T, Reich NW, Bell N, Finn PD, Rodriguez D, Kohler J,...
Chen T, Reich NW, Bell N, Finn PD, Rodriguez D, Kohler J, Kozuka K, He L, Spencer AG, Charmot D, Navre M, Carreras CW, Koo-McCoy S, Tabora J, Caldwell JS, Jacobs JW, Lewis JG.
Design of Gut-Restricted Thiazolidine Agonists of G Protein-Coupled Bile Acid Receptor 1 (GPBAR1, TGR5). Chen T, Reich NW, Bell N, Finn PD, Rodriguez D, Kohler J, Kozuka K, He L, Spencer AG, Charmot D, Navre M, Carreras CW, Koo-McCoy S, Tabora J, Caldwell JS, Jacobs JW, Lewis JG.: Design of Gut-Restricted Thiazolidine Agonists of G Protein-Coupled Bile Acid Receptor 1 (GPBAR1, TGR5). J Med Chem, Volume 61 (17), 2018 J Med Chem 2018 30141927
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Chen W, Chen X, Li D, Zhou J, Jiang Z, You Q, Guo X.
Chen W, Chen X, Li D, Zhou J, Jiang Z, You Q, Guo X.
Discovery of DDO-2213 as a Potent and Orally Bioavailable Inhibitor of the WDR5-Mixed Lineage Leukemia 1... Chen W, Chen X, Li D, Zhou J, Jiang Z, You Q, Guo X.: Discovery of DDO-2213 as a Potent and Orally Bioavailable Inhibitor of the WDR5-Mixed Lineage Leukemia 1 Protein-Protein Interaction for the Treatment of MLL Fusion Leukemia. J Med Chem, Volume 64 (12), 2021 J Med Chem 2021 34105966
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Chen W, Fan H, Balakrishnan K, Wang Y, Sun H, Fan Y, Gandhi...
Chen W, Fan H, Balakrishnan K, Wang Y, Sun H, Fan Y, Gandhi V, Arnold LA, Peng X.
Discovery and Optimization of Novel Hydrogen Peroxide Activated Aromatic Nitrogen Mustard Derivatives as Highly Potent... Chen W, Fan H, Balakrishnan K, Wang Y, Sun H, Fan Y, Gandhi V, Arnold LA, Peng X.: Discovery and Optimization of Novel Hydrogen Peroxide Activated Aromatic Nitrogen Mustard Derivatives as Highly Potent Anticancer Agents. J Med Chem, Volume 61 (20), 2018 J Med Chem 2018 30247905
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Chen X, Kopecky DJ, Mihalic J, Jeffries S, Min X, Heath J,...
Chen X, Kopecky DJ, Mihalic J, Jeffries S, Min X, Heath J, Deignan J, Lai S, Fu Z, Guimaraes C, Shen S, Li S, Johnstone S, Thibault S, Xu H, Cardozo M, Shen W, Walker N, Kayser F, Wang Z.
Structure-guided design, synthesis, and evaluation of guanine-derived inhibitors of the eIF4E mRNA-cap interaction. Chen X, Kopecky DJ, Mihalic J, Jeffries S, Min X, Heath J, Deignan J, Lai S, Fu Z, Guimaraes C, Shen S, Li S, Johnstone S, Thibault S, Xu H, Cardozo M, Shen W, Walker N, Kayser F, Wang Z.: Structure-guided design, synthesis, and evaluation of guanine-derived inhibitors of the eIF4E mRNA-cap interaction. J Med Chem, Volume 55 (8), 2012 J Med Chem 2012 22458568
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Chen X, Mihalic J, Deignan J, Gustin DJ, Duquette J, Du X,...
Chen X, Mihalic J, Deignan J, Gustin DJ, Duquette J, Du X, Chan J, Fu Z, Johnson M, Li AR, Henne K, Sullivan T, Lemon B, Ma J, Miao S, Tonn G, Collins T, Medina JC.
Discovery of potent and specific CXCR3 antagonists. Chen X, Mihalic J, Deignan J, Gustin DJ, Duquette J, Du X, Chan J, Fu Z, Johnson M, Li AR, Henne K, Sullivan T, Lemon B, Ma J, Miao S, Tonn G, Collins T, Medina JC.: Discovery of potent and specific CXCR3 antagonists. Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22130135
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Chen X, Wang K, Xu W, Ma Q, Chen M, Du L, Mo M, Wang Y,...
Chen X, Wang K, Xu W, Ma Q, Chen M, Du L, Mo M, Wang Y, Shen J.
Discovery of Potent and Orally Active Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors as a Potential... Chen X, Wang K, Xu W, Ma Q, Chen M, Du L, Mo M, Wang Y, Shen J.: Discovery of Potent and Orally Active Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors as a Potential Therapy for Diabetic Macular Edema. J Med Chem, Volume 59 (6), 2016 J Med Chem 2016 26927682
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Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington...
Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.
A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007 Bioorg Med Chem Lett 2007 17276676
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Chen XT, Pitis P, Liu G, Yuan C, Gotchev D, Cowan CL,...
Chen XT, Pitis P, Liu G, Yuan C, Gotchev D, Cowan CL, Rominger DH, Koblish M, Dewire SM, Crombie AL, Violin JD, Yamashita DS.
Structure-activity relationships and discovery of a G protein biased μ opioid receptor ligand,... Chen XT, Pitis P, Liu G, Yuan C, Gotchev D, Cowan CL, Rominger DH, Koblish M, Dewire SM, Crombie AL, Violin JD, Yamashita DS.: Structure-activity relationships and discovery of a G protein biased μ opioid receptor ligand, [(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro-[4.5]decan-9-yl]ethyl})amine (TRV130), for the treatment of acute severe pain. J Med Chem, Volume 56 (20), 2013 J Med Chem 2013 24063433
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Chen Y, Aurell CJ, Pettersen A, Lewis RJ, Hayes MA,...
Chen Y, Aurell CJ, Pettersen A, Lewis RJ, Hayes MA, Lepistö M, Jonson AC, Leek H, Thunberg L.
Saccharin Aza Bioisosteres-Synthesis and Preclinical Property Comparisons. Chen Y, Aurell CJ, Pettersen A, Lewis RJ, Hayes MA, Lepistö M, Jonson AC, Leek H, Thunberg L.: Saccharin Aza Bioisosteres-Synthesis and Preclinical Property Comparisons. ACS Med Chem Lett, Volume 8 (6), 2017 ACS Med Chem Lett 2017 28626531
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Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y,...
Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.
Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based... Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019 Eur J Med Chem 2019 30928712
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Chen YK, Bonaldi T, Cuomo A, Del Rosario JR, Hosfield DJ,...
Chen YK, Bonaldi T, Cuomo A, Del Rosario JR, Hosfield DJ, Kanouni T, Kao SC, Lai C, Lobo NA, Matuszkiewicz J, McGeehan A, O'Connell SM, Shi L, Stafford JA, Stansfield RK, Veal JM, Weiss MS, Yuen NY, Wallace MB.
Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. Chen YK, Bonaldi T, Cuomo A, Del Rosario JR, Hosfield DJ, Kanouni T, Kao SC, Lai C, Lobo NA, Matuszkiewicz J, McGeehan A, O'Connell SM, Shi L, Stafford JA, Stansfield RK, Veal JM, Weiss MS, Yuen NY, Wallace MB.: Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, Volume 8 (8), 2017 ACS Med Chem Lett 2017 28835804
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Chen Z, Chen M, Pan H, Sun S, Li L, Zeng S, Jiang H.
Chen Z, Chen M, Pan H, Sun S, Li L, Zeng S, Jiang H.
Role of catechol-O-methyltransferase in the disposition of luteolin in rats. Chen Z, Chen M, Pan H, Sun S, Li L, Zeng S, Jiang H.: Role of catechol-O-methyltransferase in the disposition of luteolin in rats. Drug Metab Dispos, Volume 39 (4), 2011 Drug Metab Dispos 2011 21209248
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Chen ZS, Guo Y, Belinsky MG, Kotova E, Kruh GD.
Chen ZS, Guo Y, Belinsky MG, Kotova E, Kruh GD.
Transport of bile acids, sulfated steroids, estradiol 17-beta-D-glucuronide, and leukotriene C4 by human multidrug... Chen ZS, Guo Y, Belinsky MG, Kotova E, Kruh GD.: Transport of bile acids, sulfated steroids, estradiol 17-beta-D-glucuronide, and leukotriene C4 by human multidrug resistance protein 8 (ABCC11). Mol Pharmacol, Volume 67 (2), 2005 Mol Pharmacol 2005 15537867
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Chen ZS, Hopper-Borge E, Belinsky MG, Shchaveleva I, Kotova...
Chen ZS, Hopper-Borge E, Belinsky MG, Shchaveleva I, Kotova E, Kruh GD.
Characterization of the transport properties of human multidrug resistance protein 7 (MRP7, ABCC10). Chen ZS, Hopper-Borge E, Belinsky MG, Shchaveleva I, Kotova E, Kruh GD.: Characterization of the transport properties of human multidrug resistance protein 7 (MRP7, ABCC10). Mol Pharmacol, Volume 63 (2), 2003 Mol Pharmacol 2003 12527806
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Chen ZS, Kawabe T, Ono M, Aoki S, Sumizawa T, Furukawa T,...
Chen ZS, Kawabe T, Ono M, Aoki S, Sumizawa T, Furukawa T, Uchiumi T, Wada M, Kuwano M, Akiyama SI.
Effect of multidrug resistance-reversing agents on transporting activity of human canalicular multispecific organic... Chen ZS, Kawabe T, Ono M, Aoki S, Sumizawa T, Furukawa T, Uchiumi T, Wada M, Kuwano M, Akiyama SI.: Effect of multidrug resistance-reversing agents on transporting activity of human canalicular multispecific organic anion transporter. Mol Pharmacol, Volume 56 (6), 1999 Mol Pharmacol 1999 10570049
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Chen ZS, Lee K, Kruh GD.
Chen ZS, Lee K, Kruh GD.
Transport of cyclic nucleotides and estradiol 17-beta-D-glucuronide by multidrug resistance protein 4. Resistance to... Chen ZS, Lee K, Kruh GD.: Transport of cyclic nucleotides and estradiol 17-beta-D-glucuronide by multidrug resistance protein 4. Resistance to 6-mercaptopurine and 6-thioguanine. J Biol Chem, Volume 276 (36), 2001 J Biol Chem 2001 11447229
Total substances: 3
Total passive interactions: 0
Total active interactions: 5
Cheney DL, Bozarth JM, Metzler WJ, Morin PE, Mueller L,...
Cheney DL, Bozarth JM, Metzler WJ, Morin PE, Mueller L, Newitt JA, Nirschl AH, Rendina AR, Tamura JK, Wei A, Wen X, Wurtz NR, Seiffert DA, Wexler RR, Priestley ES.
Discovery of novel P1 groups for coagulation factor VIIa inhibition using fragment-based screening. Cheney DL, Bozarth JM, Metzler WJ, Morin PE, Mueller L, Newitt JA, Nirschl AH, Rendina AR, Tamura JK, Wei A, Wen X, Wurtz NR, Seiffert DA, Wexler RR, Priestley ES.: Discovery of novel P1 groups for coagulation factor VIIa inhibition using fragment-based screening. J Med Chem, Volume 58 (6), 2015 J Med Chem 2015 25764119
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Cheng D, Liu J, Han D, Zhang G, Gao W, Hsieh MH, Ng N,...
Cheng D, Liu J, Han D, Zhang G, Gao W, Hsieh MH, Ng N, Kasibhatla S, Tompkins C, Li J, Steffy A, Sun F, Li C, Seidel HM, Harris JL, Pan S.
Discovery of Pyridinyl Acetamide Derivatives as Potent, Selective, and Orally Bioavailable Porcupine Inhibitors. Cheng D, Liu J, Han D, Zhang G, Gao W, Hsieh MH, Ng N, Kasibhatla S, Tompkins C, Li J, Steffy A, Sun F, Li C, Seidel HM, Harris JL, Pan S.: Discovery of Pyridinyl Acetamide Derivatives as Potent, Selective, and Orally Bioavailable Porcupine Inhibitors. ACS Med Chem Lett, Volume 7 (7), 2016 ACS Med Chem Lett 2016 27437076
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Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak...
Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.
Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006 J Med Chem 2006 16509570
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Cheng L, Pettersen D, Ohlsson B, Schell P, Karle M,...
Cheng L, Pettersen D, Ohlsson B, Schell P, Karle M, Evertsson E, Pahlén S, Jonforsen M, Plowright AT, Boström J, Fex T, Thelin A, Hilgendorf C, Xue Y, Wahlund G, Lindberg W, Larsson LO, Gustafsson D.
Discovery of the Fibrinolysis Inhibitor AZD6564, Acting via Interference of a Protein-Protein Interaction. Cheng L, Pettersen D, Ohlsson B, Schell P, Karle M, Evertsson E, Pahlén S, Jonforsen M, Plowright AT, Boström J, Fex T, Thelin A, Hilgendorf C, Xue Y, Wahlund G, Lindberg W, Larsson LO, Gustafsson D.: Discovery of the Fibrinolysis Inhibitor AZD6564, Acting via Interference of a Protein-Protein Interaction. ACS Med Chem Lett, Volume 5 (5), 2014 ACS Med Chem Lett 2014 24900876
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Cheng MC, Li CY, Ko HC, Ko FN, Lin YL, Wu TS.
Cheng MC, Li CY, Ko HC, Ko FN, Lin YL, Wu TS.
Antidepressant principles of the roots of Polygala tenuifolia. Cheng MC, Li CY, Ko HC, Ko FN, Lin YL, Wu TS.: Antidepressant principles of the roots of Polygala tenuifolia. J Nat Prod, Volume 69 (9), 2006 J Nat Prod 2006 16989524
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Cheng Q, Shah N, Bröer A, Fairweather S, Jiang Y, Schmoll...
Cheng Q, Shah N, Bröer A, Fairweather S, Jiang Y, Schmoll D, Corry B, Bröer S.
Identification of novel inhibitors of the amino acid transporter B0 AT1 (SLC6A19), a potential target to induce protein... Cheng Q, Shah N, Bröer A, Fairweather S, Jiang Y, Schmoll D, Corry B, Bröer S.: Identification of novel inhibitors of the amino acid transporter B0 AT1 (SLC6A19), a potential target to induce protein restriction and to treat type 2 diabetes. Br J Pharmacol, Volume 174 (6), 2017 Br J Pharmacol 2017 28176326
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Cheng S, Zhang X, Wang W, Zhao M, Zheng M, Chang HW, Wu J,...
Cheng S, Zhang X, Wang W, Zhao M, Zheng M, Chang HW, Wu J, Peng S.
A class of novel N-(3S-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-L-amino acid derivatives: their synthesis,... Cheng S, Zhang X, Wang W, Zhao M, Zheng M, Chang HW, Wu J, Peng S.: A class of novel N-(3S-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-L-amino acid derivatives: their synthesis, anti-thrombotic activity evaluation, and 3D QSAR analysis. Eur J Med Chem, Volume 44 (12), 2009 Eur J Med Chem 2009 19729231
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Cheng Y, Judd TC, Bartberger MD, Brown J, Chen K, Fremeau...
Cheng Y, Judd TC, Bartberger MD, Brown J, Chen K, Fremeau RT, Hickman D, Hitchcock SA, Jordan B, Li V, Lopez P, Louie SW, Luo Y, Michelsen K, Nixey T, Powers TS, Rattan C, Sickmier EA, St Jean DJ, Wahl RC, Wen PH, Wood S.
From fragment screening to in vivo efficacy: optimization of a series of 2-aminoquinolines as potent inhibitors of... Cheng Y, Judd TC, Bartberger MD, Brown J, Chen K, Fremeau RT, Hickman D, Hitchcock SA, Jordan B, Li V, Lopez P, Louie SW, Luo Y, Michelsen K, Nixey T, Powers TS, Rattan C, Sickmier EA, St Jean DJ, Wahl RC, Wen PH, Wood S.: From fragment screening to in vivo efficacy: optimization of a series of 2-aminoquinolines as potent inhibitors of beta-site amyloid precursor protein cleaving enzyme 1 (BACE1). J Med Chem, Volume 54 (16), 2011 J Med Chem 2011 21707077
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Cheng Y, Vapurcuyan A, Shahidullah M, Aleksunes LM, Pelis...
Cheng Y, Vapurcuyan A, Shahidullah M, Aleksunes LM, Pelis RM.
Expression of organic anion transporter 2 in the human kidney and its potential role in the tubular secretion of... Cheng Y, Vapurcuyan A, Shahidullah M, Aleksunes LM, Pelis RM.: Expression of organic anion transporter 2 in the human kidney and its potential role in the tubular secretion of guanine-containing antiviral drugs. Drug Metab Dispos, Volume 40 (3), 2012 Drug Metab Dispos 2012 22190696
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Cheng YX, Pourashraf M, Luo X, Srivastava S, Walpole C,...
Cheng YX, Pourashraf M, Luo X, Srivastava S, Walpole C, Salois D, St-Onge S, Payza K, Lessard E, Yu XH, Tomaszewski MJ.
γ-Carbolines: a novel class of cannabinoid agonists with high aqueous solubility and restricted CNS penetration. Cheng YX, Pourashraf M, Luo X, Srivastava S, Walpole C, Salois D, St-Onge S, Payza K, Lessard E, Yu XH, Tomaszewski MJ.: γ-Carbolines: a novel class of cannabinoid agonists with high aqueous solubility and restricted CNS penetration. Bioorg Med Chem Lett, Volume 22 (4), 2012 Bioorg Med Chem Lett 2012 22284817
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Cherian J, Nacro K, Poh ZY, Guo S, Jeyaraj DA, Wong YX, Ho...
Cherian J, Nacro K, Poh ZY, Guo S, Jeyaraj DA, Wong YX, Ho M, Yang HY, Joy JK, Kwek ZP, Liu B, Wee JL, Ong EH, Choong ML, Poulsen A, Lee MA, Pendharkar V, Ding LJ, Manoharan V, Chew YS, Sangthongpitag K, Lim S, Ong ST, Hill J, Keller TH.
Structure-Activity Relationship Studies of Mitogen Activated Protein Kinase Interacting Kinase (MNK) 1 and 2 and... Cherian J, Nacro K, Poh ZY, Guo S, Jeyaraj DA, Wong YX, Ho M, Yang HY, Joy JK, Kwek ZP, Liu B, Wee JL, Ong EH, Choong ML, Poulsen A, Lee MA, Pendharkar V, Ding LJ, Manoharan V, Chew YS, Sangthongpitag K, Lim S, Ong ST, Hill J, Keller TH.: Structure-Activity Relationship Studies of Mitogen Activated Protein Kinase Interacting Kinase (MNK) 1 and 2 and BCR-ABL1 Inhibitors Targeting Chronic Myeloid Leukemic Cells. J Med Chem, Volume 59 (7), 2016 J Med Chem 2016 27011159
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Cherney EC, Zhang L, Guo W, Huang A, Williams D, Seitz S,...
Cherney EC, Zhang L, Guo W, Huang A, Williams D, Seitz S, Shan W, Zhu X, Gullo-Brown J, Maley D, Lin TA, Hunt JT, Huang C, Yang Z, D'Arienzo CJ, Discenza LN, Ranasinghe A, Grubb MF, Traeger SC, Li X, Johnston KA, Kopcho L, Fereshteh M, Foster KA, Stefanski K, Delpy D, Dhar G, Anandam A, Mahankali S, Padmanabhan S, Rajanna P, Murali V, Mariappan TT, Pattasseri S, Nimje RY, Hong Z, Kempson J, Rampulla R, Mathur A, Gupta A, Borzilleri R, Vite G, Balog A.
Conformational-Analysis-Guided Discovery of 2,3-Disubstituted Pyridine IDO1 Inhibitors. Cherney EC, Zhang L, Guo W, Huang A, Williams D, Seitz S, Shan W, Zhu X, Gullo-Brown J, Maley D, Lin TA, Hunt JT, Huang C, Yang Z, D'Arienzo CJ, Discenza LN, Ranasinghe A, Grubb MF, Traeger SC, Li X, Johnston KA, Kopcho L, Fereshteh M, Foster KA, Stefanski K, Delpy D, Dhar G, Anandam A, Mahankali S, Padmanabhan S, Rajanna P, Murali V, Mariappan TT, Pattasseri S, Nimje RY, Hong Z, Kempson J, Rampulla R, Mathur A, Gupta A, Borzilleri R, Vite G, Balog A.: Conformational-Analysis-Guided Discovery of 2,3-Disubstituted Pyridine IDO1 Inhibitors. ACS Med Chem Lett, Volume 12 (7), 2021 ACS Med Chem Lett 2021 34267885
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Cherney EC, Zhang L, Lo J, Huynh T, Wei D, Ahuja V,...
Cherney EC, Zhang L, Lo J, Huynh T, Wei D, Ahuja V, Quesnelle C, Schieven GL, Futran A, Locke GA, Lin Z, Monereau L, Chaudhry C, Blum J, Li S, Fereshteh M, Li-Wang B, Gangwar S, Pan C, Chong C, Zhu X, Posy SL, Sack JS, Zhang P, Ruzanov M, Harner M, Akhtar F, Schroeder GM, Vite G, Fink B.
Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization. Cherney EC, Zhang L, Lo J, Huynh T, Wei D, Ahuja V, Quesnelle C, Schieven GL, Futran A, Locke GA, Lin Z, Monereau L, Chaudhry C, Blum J, Li S, Fereshteh M, Li-Wang B, Gangwar S, Pan C, Chong C, Zhu X, Posy SL, Sack JS, Zhang P, Ruzanov M, Harner M, Akhtar F, Schroeder GM, Vite G, Fink B.: Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization. J Med Chem, Volume 65 (4), 2022 J Med Chem 2022 35108011
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Cherney EC, Zhang L, Nara S, Zhu X, Gullo-Brown J, Maley D,...
Cherney EC, Zhang L, Nara S, Zhu X, Gullo-Brown J, Maley D, Lin TA, Hunt JT, Huang C, Yang Z, Darienzo C, Discenza L, Ranasinghe A, Grubb M, Ziemba T, Traeger SC, Li X, Johnston K, Kopcho L, Fereshteh M, Foster K, Stefanski K, Fargnoli J, Swanson J, Brown J, Delpy D, Seitz SP, Borzilleri R, Vite G, Balog A.
Discovery and Preclinical Evaluation of BMS-986242, a Potent, Selective Inhibitor of Indoleamine-2,3-dioxygenase 1. Cherney EC, Zhang L, Nara S, Zhu X, Gullo-Brown J, Maley D, Lin TA, Hunt JT, Huang C, Yang Z, Darienzo C, Discenza L, Ranasinghe A, Grubb M, Ziemba T, Traeger SC, Li X, Johnston K, Kopcho L, Fereshteh M, Foster K, Stefanski K, Fargnoli J, Swanson J, Brown J, Delpy D, Seitz SP, Borzilleri R, Vite G, Balog A.: Discovery and Preclinical Evaluation of BMS-986242, a Potent, Selective Inhibitor of Indoleamine-2,3-dioxygenase 1. ACS Med Chem Lett, Volume 12 (2), 2021 ACS Med Chem Lett 2021 33603977
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Cherney RJ, Anjanappa P, Selvakumar K, Batt DG, Brown GD,...
Cherney RJ, Anjanappa P, Selvakumar K, Batt DG, Brown GD, Rose AV, Vuppugalla R, Chen J, Pang J, Xu S, Yarde M, Tebben AJ, Paidi VR, Cvijic ME, Mathur A, Barrish JC, Mandlekar S, Zhao Q, Carter PH.
BMS-813160: A Potent CCR2 and CCR5 Dual Antagonist Selected as a Clinical Candidate. Cherney RJ, Anjanappa P, Selvakumar K, Batt DG, Brown GD, Rose AV, Vuppugalla R, Chen J, Pang J, Xu S, Yarde M, Tebben AJ, Paidi VR, Cvijic ME, Mathur A, Barrish JC, Mandlekar S, Zhao Q, Carter PH.: BMS-813160: A Potent CCR2 and CCR5 Dual Antagonist Selected as a Clinical Candidate. ACS Med Chem Lett, Volume 12 (11), 2021 ACS Med Chem Lett 2021 34795864
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Cherney RJ, Cornelius LAM, Srivastava A, Weigelt CA,...
Cherney RJ, Cornelius LAM, Srivastava A, Weigelt CA, Marcoux D, Duan JJ, Shi Q, Batt DG, Liu Q, Yip S, Wu DR, Ruzanov M, Sack J, Khan J, Wang J, Yarde M, Cvijic ME, Mathur A, Li S, Shuster D, Khandelwal P, Borowski V, Xie J, Obermeier M, Fura A, Stefanski K, Cornelius G, Tino JA, Macor JE, Salter-Cid L, Denton R, Zhao Q, Carter PH, Dhar TGM.
Discovery of BMS-986251: A Clinically Viable, Potent, and Selective RORγt Inverse Agonist. Cherney RJ, Cornelius LAM, Srivastava A, Weigelt CA, Marcoux D, Duan JJ, Shi Q, Batt DG, Liu Q, Yip S, Wu DR, Ruzanov M, Sack J, Khan J, Wang J, Yarde M, Cvijic ME, Mathur A, Li S, Shuster D, Khandelwal P, Borowski V, Xie J, Obermeier M, Fura A, Stefanski K, Cornelius G, Tino JA, Macor JE, Salter-Cid L, Denton R, Zhao Q, Carter PH, Dhar TGM.: Discovery of BMS-986251: A Clinically Viable, Potent, and Selective RORγt Inverse Agonist. ACS Med Chem Lett, Volume 11 (6), 2020 ACS Med Chem Lett 2020 32551004
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Cherney RJ, Mo R, Meyer DT, Voss ME, Yang MG, Santella JB,...
Cherney RJ, Mo R, Meyer DT, Voss ME, Yang MG, Santella JB, Duncia JV, Lo YC, Yang G, Miller PB, Scherle PA, Zhao Q, Mandlekar S, Cvijic ME, Barrish JC, Decicco CP, Carter PH.
gamma-Lactams as glycinamide replacements in cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists. Cherney RJ, Mo R, Meyer DT, Voss ME, Yang MG, Santella JB, Duncia JV, Lo YC, Yang G, Miller PB, Scherle PA, Zhao Q, Mandlekar S, Cvijic ME, Barrish JC, Decicco CP, Carter PH.: gamma-Lactams as glycinamide replacements in cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists. Bioorg Med Chem Lett, Volume 20 (8), 2010 Bioorg Med Chem Lett 2010 20346664
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Cherney RJ, Mo R, Yang MG, Xiao Z, Zhao Q, Mandlekar S,...
Cherney RJ, Mo R, Yang MG, Xiao Z, Zhao Q, Mandlekar S, Cvijic ME, Charo IF, Barrish JC, Decicco CP, Carter PH.
Alkylsulfone-containing trisubstituted cyclohexanes as potent and bioavailable chemokine receptor 2 (CCR2) antagonists. Cherney RJ, Mo R, Yang MG, Xiao Z, Zhao Q, Mandlekar S, Cvijic ME, Charo IF, Barrish JC, Decicco CP, Carter PH.: Alkylsulfone-containing trisubstituted cyclohexanes as potent and bioavailable chemokine receptor 2 (CCR2) antagonists. Bioorg Med Chem Lett, Volume 24 (7), 2014 Bioorg Med Chem Lett 2014 24613378
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Cheung AK, Hurley B, Kerrigan R, Shu L, Chin DN, Shen Y,...
Cheung AK, Hurley B, Kerrigan R, Shu L, Chin DN, Shen Y, O'Brien G, Sung MJ, Hou Y, Axford J, Cody E, Sun R, Fazal A, Fridrich C, Sanchez CC, Tomlinson RC, Jain M, Deng L, Hoffmaster K, Song C, Van Hoosear M, Shin Y, Servais R, Towler C, Hild M, Curtis D, Dietrich WF, Hamann LG, Briner K, Chen KS, Kobayashi D, Sivasankaran R, Dales NA.
Discovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular... Cheung AK, Hurley B, Kerrigan R, Shu L, Chin DN, Shen Y, O'Brien G, Sung MJ, Hou Y, Axford J, Cody E, Sun R, Fazal A, Fridrich C, Sanchez CC, Tomlinson RC, Jain M, Deng L, Hoffmaster K, Song C, Van Hoosear M, Shin Y, Servais R, Towler C, Hild M, Curtis D, Dietrich WF, Hamann LG, Briner K, Chen KS, Kobayashi D, Sivasankaran R, Dales NA.: Discovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular Atrophy (SMA). J Med Chem, Volume 61 (24), 2018 J Med Chem 2018 30407821
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Cheung WS, Calvo RR, Tounge BA, Zhang SP, Stone DR, Brandt...
Cheung WS, Calvo RR, Tounge BA, Zhang SP, Stone DR, Brandt MR, Hutchinson T, Flores CM, Player MR.
Discovery of piperidine carboxamide TRPV1 antagonists. Cheung WS, Calvo RR, Tounge BA, Zhang SP, Stone DR, Brandt MR, Hutchinson T, Flores CM, Player MR.: Discovery of piperidine carboxamide TRPV1 antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008 Bioorg Med Chem Lett 2008 18662879
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Chevrier P, Vijayaragavan K, Chahine M.
Chevrier P, Vijayaragavan K, Chahine M.
Differential modulation of Nav1.7 and Nav1.8 peripheral nerve sodium channels by the local anesthetic lidocaine. Chevrier P, Vijayaragavan K, Chahine M.: Differential modulation of Nav1.7 and Nav1.8 peripheral nerve sodium channels by the local anesthetic lidocaine. Br J Pharmacol, Volume 142 (3), 2004 Br J Pharmacol 2004 15148257
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Chiang CH, Schoenwald RD.
Chiang CH, Schoenwald RD.
Ocular pharmacokinetic models of clonidine-3H hydrochloride. Chiang CH, Schoenwald RD.: Ocular pharmacokinetic models of clonidine-3H hydrochloride. J Pharmacokinet Biopharm, Volume 14 (2), 175-211, 1986 J Pharmacokinet Biopharm 1986 3746638
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa...
Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.
Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007 Bioorg Med Chem 2007 17194595
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Chien HC, Colas C, Finke K, Springer S, Stoner L, Zur AA,...
Chien HC, Colas C, Finke K, Springer S, Stoner L, Zur AA, Venteicher B, Campbell J, Hall C, Flint A, Augustyn E, Hernandez C, Heeren N, Hansen L, Anthony A, Bauer J, Fotiadis D, Schlessinger A, Giacomini KM, Thomas AA.
Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1). Chien HC, Colas C, Finke K, Springer S, Stoner L, Zur AA, Venteicher B, Campbell J, Hall C, Flint A, Augustyn E, Hernandez C, Heeren N, Hansen L, Anthony A, Bauer J, Fotiadis D, Schlessinger A, Giacomini KM, Thomas AA.: Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1). J Med Chem, Volume 61 (16), 2018 J Med Chem 2018 30048132
Total substances: 12
Total passive interactions: 0
Total active interactions: 12
Chierrito TPC, Pedersoli-Mantoani S, Roca C,...
Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.
Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase... Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018 Eur J Med Chem 2018 29335209
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Chioua M, Sucunza D, Soriano E, Hadjipavlou-Litina D,...
Chioua M, Sucunza D, Soriano E, Hadjipavlou-Litina D, Alcázar A, Ayuso I, Oset-Gasque MJ, González MP, Monjas L, Rodríguez-Franco MI, Marco-Contelles J, Samadi A.
Α-aryl-N-alkyl nitrones, as potential agents for stroke treatment: synthesis, theoretical calculations, antioxidant,... Chioua M, Sucunza D, Soriano E, Hadjipavlou-Litina D, Alcázar A, Ayuso I, Oset-Gasque MJ, González MP, Monjas L, Rodríguez-Franco MI, Marco-Contelles J, Samadi A.: Α-aryl-N-alkyl nitrones, as potential agents for stroke treatment: synthesis, theoretical calculations, antioxidant, anti-inflammatory, neuroprotective, and brain-blood barrier permeability properties. J Med Chem, Volume 55 (1), 2012 J Med Chem 2012 22126405
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Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A,...
Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.
A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and... Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012 Eur J Med Chem 2012 22209418
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Cho A, Zhang L, Xu J, Lee R, Butler T, Metobo S,...
Cho A, Zhang L, Xu J, Lee R, Butler T, Metobo S, Aktoudianakis V, Lew W, Ye H, Clarke M, Doerffler E, Byun D, Wang T, Babusis D, Carey AC, German P, Sauer D, Zhong W, Rossi S, Fenaux M, McHutchison JG, Perry J, Feng J, Ray AS, Kim CU.
Discovery of the first C-nucleoside HCV polymerase inhibitor (GS-6620) with demonstrated antiviral response in HCV... Cho A, Zhang L, Xu J, Lee R, Butler T, Metobo S, Aktoudianakis V, Lew W, Ye H, Clarke M, Doerffler E, Byun D, Wang T, Babusis D, Carey AC, German P, Sauer D, Zhong W, Rossi S, Fenaux M, McHutchison JG, Perry J, Feng J, Ray AS, Kim CU.: Discovery of the first C-nucleoside HCV polymerase inhibitor (GS-6620) with demonstrated antiviral response in HCV infected patients. J Med Chem, Volume 57 (5), 2014 J Med Chem 2014 23547794
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Cho SJ, Jensen NH, Kurome T, Kadari S, Manzano ML, Malberg...
Cho SJ, Jensen NH, Kurome T, Kadari S, Manzano ML, Malberg JE, Caldarone B, Roth BL, Kozikowski AP.
Selective 5-hydroxytryptamine 2C receptor agonists derived from the lead compound tranylcypromine: identification of... Cho SJ, Jensen NH, Kurome T, Kadari S, Manzano ML, Malberg JE, Caldarone B, Roth BL, Kozikowski AP.: Selective 5-hydroxytryptamine 2C receptor agonists derived from the lead compound tranylcypromine: identification of drugs with antidepressant-like action. J Med Chem, Volume 52 (7), 2009 J Med Chem 2009 19284718
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Cho SY, Kim MK, Park KS, Choo H, Chong Y.
Cho SY, Kim MK, Park KS, Choo H, Chong Y.
Quercetin-POC conjugates: Differential stability and bioactivity profiles between breast cancer (MCF-7) and colorectal... Cho SY, Kim MK, Park KS, Choo H, Chong Y.: Quercetin-POC conjugates: Differential stability and bioactivity profiles between breast cancer (MCF-7) and colorectal carcinoma (HCT116) cell lines. Bioorg Med Chem, Volume 21 (7), 2013 Bioorg Med Chem 2013 23434132
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Choi CH, Kim JH, Kim SH.
Choi CH, Kim JH, Kim SH.
Reversal of P-glycoprotein-mediated MDR by 5,7,3',4',5'-pentamethoxyflavone and SAR. Choi CH, Kim JH, Kim SH.: Reversal of P-glycoprotein-mediated MDR by 5,7,3',4',5'-pentamethoxyflavone and SAR. Biochem Biophys Res Commun, Volume 320 (3), 2004 Biochem Biophys Res Commun 2004 15240100
Total substances: 5
Total passive interactions: 0
Total active interactions: 6
Choi E, Lee C, Cho M, Seo JJ, Yang JS, Oh SJ, Lee K, Park...
Choi E, Lee C, Cho M, Seo JJ, Yang JS, Oh SJ, Lee K, Park SK, Kim HM, Kwon HJ, Han G.
Property-based optimization of hydroxamate-based γ-lactam HDAC inhibitors to improve their metabolic stability and... Choi E, Lee C, Cho M, Seo JJ, Yang JS, Oh SJ, Lee K, Park SK, Kim HM, Kwon HJ, Han G.: Property-based optimization of hydroxamate-based γ-lactam HDAC inhibitors to improve their metabolic stability and pharmacokinetic profiles. J Med Chem, Volume 55 (23), 2012 J Med Chem 2012 23163332
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Choi E, Lee C, Park JE, Seo JJ, Cho M, Kang JS, Kim HM,...
Choi E, Lee C, Park JE, Seo JJ, Cho M, Kang JS, Kim HM, Park SK, Lee K, Han G.
Structure and property based design, synthesis and biological evaluation of γ-lactam based HDAC inhibitors. Choi E, Lee C, Park JE, Seo JJ, Cho M, Kang JS, Kim HM, Park SK, Lee K, Han G.: Structure and property based design, synthesis and biological evaluation of γ-lactam based HDAC inhibitors. Bioorg Med Chem Lett, Volume 21 (4), 2011 Bioorg Med Chem Lett 2011 21256006
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Choi H, Lee J, Kim YH, Im DS, Hwang IC, Kim SJ, Moon SK,...
Choi H, Lee J, Kim YH, Im DS, Hwang IC, Kim SJ, Moon SK, Lee HW, Lee SS, Ahn SK, Kim SW, Choi NS, Lee KJ.
Discovery of potent, selective, and orally bioavailable PDE5 inhibitor:... Choi H, Lee J, Kim YH, Im DS, Hwang IC, Kim SJ, Moon SK, Lee HW, Lee SS, Ahn SK, Kim SW, Choi NS, Lee KJ.: Discovery of potent, selective, and orally bioavailable PDE5 inhibitor: Methyl-4-(3-chloro-4-methoxybenzylamino)-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-ylmethylcarbamate (CKD 533). Bioorg Med Chem Lett, Volume 20 (1), 2010 Bioorg Med Chem Lett 2010 19906530
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Choi JS, Hwang HJ, Kim SW, Lee BI, Lee J, Song HJ, Koh JS,...
Choi JS, Hwang HJ, Kim SW, Lee BI, Lee J, Song HJ, Koh JS, Kim JH, Lee PH.
Highly potent and selective pyrazolylpyrimidines as Syk kinase inhibitors. Choi JS, Hwang HJ, Kim SW, Lee BI, Lee J, Song HJ, Koh JS, Kim JH, Lee PH.: Highly potent and selective pyrazolylpyrimidines as Syk kinase inhibitors. Bioorg Med Chem Lett, Volume 25 (20), 2015 Bioorg Med Chem Lett 2015 26384287
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Choi MK, Jin QR, Choi YL, Ahn SH, Bae MA, Song IS.
Choi MK, Jin QR, Choi YL, Ahn SH, Bae MA, Song IS.
Inhibitory effects of ketoconazole and rifampin on OAT1 and OATP1B1 transport activities: considerations on drug-drug... Choi MK, Jin QR, Choi YL, Ahn SH, Bae MA, Song IS.: Inhibitory effects of ketoconazole and rifampin on OAT1 and OATP1B1 transport activities: considerations on drug-drug interactions. Biopharm Drug Dispos, Volume 32 (3), 2011 Biopharm Drug Dispos 2011 21456052
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Choi MK, Song IS.
Choi MK, Song IS.
Genetic variants of organic cation transporter 1 (OCT1) and OCT2 significantly reduce lamivudine uptake. Choi MK, Song IS.: Genetic variants of organic cation transporter 1 (OCT1) and OCT2 significantly reduce lamivudine uptake. Biopharm Drug Dispos, Volume 33 (3), 2012 Biopharm Drug Dispos 2012 22415520
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Chonan T, Tanaka H, Yamamoto D, Yashiro M, Oi T, Wakasugi...
Chonan T, Tanaka H, Yamamoto D, Yashiro M, Oi T, Wakasugi D, Ohoka-Sugita A, Io F, Koretsune H, Hiratate A.
Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase... Chonan T, Tanaka H, Yamamoto D, Yashiro M, Oi T, Wakasugi D, Ohoka-Sugita A, Io F, Koretsune H, Hiratate A.: Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors. Bioorg Med Chem Lett, Volume 20 (13), 2010 Bioorg Med Chem Lett 2010 20537533
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Choong IC, Serafimova I, Fan J, Stockett D, Chan E, Cheeti...
Choong IC, Serafimova I, Fan J, Stockett D, Chan E, Cheeti S, Lu Y, Fahr B, Pham P, Arkin MR, Walker DH, Hoch U.
A diaminocyclohexyl analog of SNS-032 with improved permeability and bioavailability properties. Choong IC, Serafimova I, Fan J, Stockett D, Chan E, Cheeti S, Lu Y, Fahr B, Pham P, Arkin MR, Walker DH, Hoch U.: A diaminocyclohexyl analog of SNS-032 with improved permeability and bioavailability properties. Bioorg Med Chem Lett, Volume 18 (21), 2008 Bioorg Med Chem Lett 2008 18842409
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Chorvat RJ, Berbaum J, Seriacki K, McElroy JF.
Chorvat RJ, Berbaum J, Seriacki K, McElroy JF.
JD-5006 and JD-5037: peripherally restricted (PR) cannabinoid-1 receptor blockers related to SLV-319 (Ibipinabant) as... Chorvat RJ, Berbaum J, Seriacki K, McElroy JF.: JD-5006 and JD-5037: peripherally restricted (PR) cannabinoid-1 receptor blockers related to SLV-319 (Ibipinabant) as metabolic disorder therapeutics devoid of CNS liabilities. Bioorg Med Chem Lett, Volume 22 (19), 2012 Bioorg Med Chem Lett 2012 22959249
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Choubey PK, Tripathi A, Sharma P, Shrivastava SK.
Choubey PK, Tripathi A, Sharma P, Shrivastava SK.
Design, synthesis, and multitargeted profiling of N-benzylpyrrolidine derivatives for the treatment of Alzheimer's... Choubey PK, Tripathi A, Sharma P, Shrivastava SK.: Design, synthesis, and multitargeted profiling of N-benzylpyrrolidine derivatives for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 28 (22), 2020 Bioorg Med Chem 2020 33007563
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Choudhury-Mukherjee I, Schenck HA, Cechova S, Pajewski TN,...
Choudhury-Mukherjee I, Schenck HA, Cechova S, Pajewski TN, Kapur J, Ellena J, Cafiso DS, Brown ML.
Design, synthesis, and evaluation of analogues of 3,3,3-trifluoro-2-hydroxy-2-phenyl-propionamide as orally available... Choudhury-Mukherjee I, Schenck HA, Cechova S, Pajewski TN, Kapur J, Ellena J, Cafiso DS, Brown ML.: Design, synthesis, and evaluation of analogues of 3,3,3-trifluoro-2-hydroxy-2-phenyl-propionamide as orally available general anesthetics. J Med Chem, Volume 46 (12), 2003 J Med Chem 2003 12773053
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Chough C, Joung M, Lee S, Lee J, Kim JH, Kim BM.
Chough C, Joung M, Lee S, Lee J, Kim JH, Kim BM.
Development of selective inhibitors for the treatment of rheumatoid arthritis:... Chough C, Joung M, Lee S, Lee J, Kim JH, Kim BM.: Development of selective inhibitors for the treatment of rheumatoid arthritis: (R)-3-(3-(Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)pyrrolidin-1-yl)-3-oxopropanenitrile as a JAK1-selective inhibitor. Bioorg Med Chem, Volume 26 (8), 2018 Bioorg Med Chem 2018 29452839
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Chough C, Lee S, Joung M, Lee J, Kim JH, Kim BM.
Chough C, Lee S, Joung M, Lee J, Kim JH, Kim BM.
Design, synthesis and evaluation of... Chough C, Lee S, Joung M, Lee J, Kim JH, Kim BM.: Design, synthesis and evaluation of (R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile as a JAK1-selective inhibitor. Medchemcomm, Volume 9 (3), 2018 Medchemcomm 2018 30108938
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Chowdhury S, Chafeev M, Liu S, Sun J, Raina V, Chui R,...
Chowdhury S, Chafeev M, Liu S, Sun J, Raina V, Chui R, Young W, Kwan R, Fu J, Cadieux JA.
Discovery of XEN907, a spirooxindole blocker of NaV1.7 for the treatment of pain. Chowdhury S, Chafeev M, Liu S, Sun J, Raina V, Chui R, Young W, Kwan R, Fu J, Cadieux JA.: Discovery of XEN907, a spirooxindole blocker of NaV1.7 for the treatment of pain. Bioorg Med Chem Lett, Volume 21 (12), 2011 Bioorg Med Chem Lett 2011 21570288
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Sultan Chowdhury, Shifeng Liu, Jay A. Cadieux, Tom Hsieh,...
Sultan Chowdhury, Shifeng Liu, Jay A. Cadieux, Tom Hsieh, Mikhail Chafeev, Shaoyi Sun, Qi Jia, Jianyu Sun, Mark Wood, Jonathan Langille, Serguei Sviridov, Jianmin Fu, Zaihui Zhang, Ray Chui, Audrey Wang, Xing Cheng, Jing Zhong, Sazzad Hossain, Kuldip Khakh, Ivana Rajlic, Henry Verschoof, Rainbow Kwan & Wendy Young
Tetracyclic spirooxindole blockers of hNaV1.7: activity in vitro and in CFA-induced inflammatory pain model Chowdhury, S., Liu, S., Cadieux, J.A. et al. Tetracyclic spirooxindole blockers of hNaV1.7: activity in vitro and in CFA-induced inflammatory pain model. Med Chem Res 22, 1825–1836 (2013). https://doi.org/10.1007/s00044-012-0180-1 Medicinal Chemistry Research 2012 10.1007/s00044-...
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Christiansen E, Due-Hansen ME, Urban C, Grundmann M,...
Christiansen E, Due-Hansen ME, Urban C, Grundmann M, Schmidt J, Hansen SV, Hudson BD, Zaibi M, Markussen SB, Hagesaether E, Milligan G, Cawthorne MA, Kostenis E, Kassack MU, Ulven T.
Discovery of a potent and selective free fatty acid receptor 1 agonist with low lipophilicity and high oral... Christiansen E, Due-Hansen ME, Urban C, Grundmann M, Schmidt J, Hansen SV, Hudson BD, Zaibi M, Markussen SB, Hagesaether E, Milligan G, Cawthorne MA, Kostenis E, Kassack MU, Ulven T.: Discovery of a potent and selective free fatty acid receptor 1 agonist with low lipophilicity and high oral bioavailability. J Med Chem, Volume 56 (3), 2013 J Med Chem 2013 23294321
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Christiansen E, Hansen SV, Urban C, Hudson BD, Wargent ET,...
Christiansen E, Hansen SV, Urban C, Hudson BD, Wargent ET, Grundmann M, Jenkins L, Zaibi M, Stocker CJ, Ullrich S, Kostenis E, Kassack MU, Milligan G, Cawthorne MA, Ulven T.
Discovery of TUG-770: A Highly Potent Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonist for Treatment of Type 2 Diabetes. Christiansen E, Hansen SV, Urban C, Hudson BD, Wargent ET, Grundmann M, Jenkins L, Zaibi M, Stocker CJ, Ullrich S, Kostenis E, Kassack MU, Milligan G, Cawthorne MA, Ulven T.: Discovery of TUG-770: A Highly Potent Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonist for Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (5), 2013 ACS Med Chem Lett 2013 23687558
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Christiansen E, Urban C, Grundmann M, Due-Hansen ME,...
Christiansen E, Urban C, Grundmann M, Due-Hansen ME, Hagesaether E, Schmidt J, Pardo L, Ullrich S, Kostenis E, Kassack M, Ulven T.
Identification of a potent and selective free fatty acid receptor 1 (FFA1/GPR40) agonist with favorable physicochemical... Christiansen E, Urban C, Grundmann M, Due-Hansen ME, Hagesaether E, Schmidt J, Pardo L, Ullrich S, Kostenis E, Kassack M, Ulven T.: Identification of a potent and selective free fatty acid receptor 1 (FFA1/GPR40) agonist with favorable physicochemical and in vitro ADME properties. J Med Chem, Volume 54 (19), 2011 J Med Chem 2011 21854074
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Christopher JA, Aves SJ, Bennett KA, Doré AS, Errey JC,...
Christopher JA, Aves SJ, Bennett KA, Doré AS, Errey JC, Jazayeri A, Marshall FH, Okrasa K, Serrano-Vega MJ, Tehan BG, Wiggin GR, Congreve M.
Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator... Christopher JA, Aves SJ, Bennett KA, Doré AS, Errey JC, Jazayeri A, Marshall FH, Okrasa K, Serrano-Vega MJ, Tehan BG, Wiggin GR, Congreve M.: Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J Med Chem, Volume 58 (16), 2015 J Med Chem 2015 26225459
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John A. Christopher, Sarah J. Aves, Jason Brown, James...
John A. Christopher, Sarah J. Aves, Jason Brown, James C. Errey, Suki S. Klair, Christopher J. Langmead, Oliver J. Mace, Richard Mould, Jayesh C. Patel, Benjamin G. Tehan, Andrei Zhukov, Fiona H. Marshall, Miles Congreve
Discovery of HTL6641, a dual orexin receptor antagonist with differentiated pharmacodynamic properties Christopher, John A.; Sarah J. Aves, Jason Brown, James C. Errey, Suki S. Klair, Christopher J. Langmead, Oliver J. Mace, Richard Mould, Jayesh C. Patel, Benjamin G. Tehan, Andrei Zhukov, Fiona H. Marshall, Miles Congreve: iscovery of HTL6641, a dual orexin receptor antagonist with differentiated pharmacodynamic properties. Med. Chem. Commun., 2015,6, 947-955, 10.1039/C5MD00027K MedChemComm 2015 10.1039/C5MD000...
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Chrovian CC, Soyode-Johnson A, Peterson AA, Gelin CF, Deng...
Chrovian CC, Soyode-Johnson A, Peterson AA, Gelin CF, Deng X, Dvorak CA, Carruthers NI, Lord B, Fraser I, Aluisio L, Coe KJ, Scott B, Koudriakova T, Schoetens F, Sepassi K, Gallacher DJ, Bhattacharya A, Letavic MA.
A Dipolar Cycloaddition Reaction To Access 6-Methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridines Enables the... Chrovian CC, Soyode-Johnson A, Peterson AA, Gelin CF, Deng X, Dvorak CA, Carruthers NI, Lord B, Fraser I, Aluisio L, Coe KJ, Scott B, Koudriakova T, Schoetens F, Sepassi K, Gallacher DJ, Bhattacharya A, Letavic MA.: A Dipolar Cycloaddition Reaction To Access 6-Methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridines Enables the Discovery Synthesis and Preclinical Profiling of a P2X7 Antagonist Clinical Candidate. J Med Chem, Volume 61 (1), 2018 J Med Chem 2018 29211470
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Chu KF, Yao CH, Song JS, Chen CT, Yeh TK, Hsieh TC, Huang...
Chu KF, Yao CH, Song JS, Chen CT, Yeh TK, Hsieh TC, Huang CY, Wang MH, Wu SH, Chang WE, Chao YS, Lee JC.
N-Indolylglycosides bearing modifications at the glucose C6-position as sodium-dependent glucose co-transporter 2... Chu KF, Yao CH, Song JS, Chen CT, Yeh TK, Hsieh TC, Huang CY, Wang MH, Wu SH, Chang WE, Chao YS, Lee JC.: N-Indolylglycosides bearing modifications at the glucose C6-position as sodium-dependent glucose co-transporter 2 inhibitors. Bioorg Med Chem, Volume 24 (10), 2016 Bioorg Med Chem 2016 27075813
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Chung SS, Cuellar RA, Wang X, Reczek PR, Georg GI,...
Chung SS, Cuellar RA, Wang X, Reczek PR, Georg GI, Wolgemuth DJ.
Pharmacological activity of retinoic acid receptor alpha-selective antagonists in vitro and in vivo. Chung SS, Cuellar RA, Wang X, Reczek PR, Georg GI, Wolgemuth DJ.: Pharmacological activity of retinoic acid receptor alpha-selective antagonists in vitro and in vivo. ACS Med Chem Lett, Volume 4 (5), 2013 ACS Med Chem Lett 2013 24040487
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Cid JM, Tresadern G, Duvey G, Lütjens R, Finn T, Rocher...
Cid JM, Tresadern G, Duvey G, Lütjens R, Finn T, Rocher JP, Poli S, Vega JA, de Lucas AI, Matesanz E, Linares ML, Andrés JI, Alcazar J, Alonso JM, Macdonald GJ, Oehlrich D, Lavreysen H, Ahnaou A, Drinkenburg W, Mackie C, Pype S, Gallacher D, Trabanco AA.
Discovery of 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1H)-pyridone (JNJ-40411813): a novel positive allosteric... Cid JM, Tresadern G, Duvey G, Lütjens R, Finn T, Rocher JP, Poli S, Vega JA, de Lucas AI, Matesanz E, Linares ML, Andrés JI, Alcazar J, Alonso JM, Macdonald GJ, Oehlrich D, Lavreysen H, Ahnaou A, Drinkenburg W, Mackie C, Pype S, Gallacher D, Trabanco AA.: Discovery of 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1H)-pyridone (JNJ-40411813): a novel positive allosteric modulator of the metabotropic glutamate 2 receptor. J Med Chem, Volume 57 (15), 2014 J Med Chem 2014 25032784
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Cid JM, Tresadern G, Vega JA, de Lucas AI, Del Cerro A,...
Cid JM, Tresadern G, Vega JA, de Lucas AI, Del Cerro A, Matesanz E, Linares ML, García A, Iturrino L, Pérez-Benito L, Macdonald GJ, Oehlrich D, Lavreysen H, Peeters L, Ceusters M, Ahnaou A, Drinkenburg W, Mackie C, Somers M, Trabanco AA.
Discovery of... Cid JM, Tresadern G, Vega JA, de Lucas AI, Del Cerro A, Matesanz E, Linares ML, García A, Iturrino L, Pérez-Benito L, Macdonald GJ, Oehlrich D, Lavreysen H, Peeters L, Ceusters M, Ahnaou A, Drinkenburg W, Mackie C, Somers M, Trabanco AA.: Discovery of 8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-(2,4-difluorophenyl)-1-piperazinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine (JNJ-46356479), a Selective and Orally Bioavailable mGlu2 Receptor Positive Allosteric Modulator (PAM). J Med Chem, Volume 59 (18), 2016 J Med Chem 2016 27579727
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Cihlar T, Ho ES.
Cihlar T, Ho ES.
Fluorescence-based assay for the interaction of small molecules with the human renal organic anion transporter 1. Cihlar T, Ho ES.: Fluorescence-based assay for the interaction of small molecules with the human renal organic anion transporter 1. Anal Biochem, Volume 283 (1), 2000 Anal Biochem 2000 10929807
Total substances: 8
Total passive interactions: 0
Total active interactions: 8
Cihlar T, Laflamme G, Fisher R, Carey AC, Vela JE, Mackman...
Cihlar T, Laflamme G, Fisher R, Carey AC, Vela JE, Mackman R, Ray AS.
Novel nucleotide human immunodeficiency virus reverse transcriptase inhibitor GS-9148 with a low nephrotoxic potential:... Cihlar T, Laflamme G, Fisher R, Carey AC, Vela JE, Mackman R, Ray AS.: Novel nucleotide human immunodeficiency virus reverse transcriptase inhibitor GS-9148 with a low nephrotoxic potential: characterization of renal transport and accumulation. Antimicrob Agents Chemother, Volume 53 (1), 2009 Antimicrob Agents Chemother 2009 19001108
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Cinelli MA, Li H, Chreifi G, Martásek P, Roman LJ, Poulos...
Cinelli MA, Li H, Chreifi G, Martásek P, Roman LJ, Poulos TL, Silverman RB.
Simplified 2-aminoquinoline-based scaffold for potent and selective neuronal nitric oxide synthase inhibition. Cinelli MA, Li H, Chreifi G, Martásek P, Roman LJ, Poulos TL, Silverman RB.: Simplified 2-aminoquinoline-based scaffold for potent and selective neuronal nitric oxide synthase inhibition. J Med Chem, Volume 57 (4), 2014 J Med Chem 2014 24472039
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Cinelli MA, Li H, Chreifi G, Poulos TL, Silverman RB.
Cinelli MA, Li H, Chreifi G, Poulos TL, Silverman RB.
Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development... Cinelli MA, Li H, Chreifi G, Poulos TL, Silverman RB.: Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J Med Chem, Volume 60 (9), 2017 J Med Chem 2017 28422508
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Cinelli MA, Li H, Pensa AV, Kang S, Roman LJ, Martásek P,...
Cinelli MA, Li H, Pensa AV, Kang S, Roman LJ, Martásek P, Poulos TL, Silverman RB.
Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide... Cinelli MA, Li H, Pensa AV, Kang S, Roman LJ, Martásek P, Poulos TL, Silverman RB.: Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J Med Chem, Volume 58 (21), 2015 J Med Chem 2015 26469213
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Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman...
Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.
First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target... Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem, Volume 63 (9), 2020 J Med Chem 2020 32302123
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Cioffi CL, Racz B, Freeman EE, Conlon MP, Chen P, Stafford...
Cioffi CL, Racz B, Freeman EE, Conlon MP, Chen P, Stafford DG, Schwarz DM, Zhu L, Kitchen DB, Barnes KD, Dobri N, Michelotti E, Cywin CL, Martin WH, Pearson PG, Johnson G, Petrukhin K.
Bicyclic [3.3.0]-Octahydrocyclopenta[c]pyrrolo Antagonists of Retinol Binding Protein 4: Potential Treatment of... Cioffi CL, Racz B, Freeman EE, Conlon MP, Chen P, Stafford DG, Schwarz DM, Zhu L, Kitchen DB, Barnes KD, Dobri N, Michelotti E, Cywin CL, Martin WH, Pearson PG, Johnson G, Petrukhin K.: Bicyclic [3.3.0]-Octahydrocyclopenta[c]pyrrolo Antagonists of Retinol Binding Protein 4: Potential Treatment of Atrophic Age-Related Macular Degeneration and Stargardt Disease. J Med Chem, Volume 58 (15), 2015 J Med Chem 2015 26181715
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Cioffi CL.
Cioffi CL.
Modulation of Glycine-Mediated Spinal Neurotransmission for the Treatment of Chronic Pain. Cioffi CL.: Modulation of Glycine-Mediated Spinal Neurotransmission for the Treatment of Chronic Pain. J Med Chem, Volume 61 (7), 2018 J Med Chem 2018 28876062
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu...
Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.
Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and... Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016 Bioorg Med Chem Lett 2016 26832218
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Claffey MM, Helal CJ, Verhoest PR, Kang Z, Fors KS, Jung S,...
Claffey MM, Helal CJ, Verhoest PR, Kang Z, Fors KS, Jung S, Zhong J, Bundesmann MW, Hou X, Lui S, Kleiman RJ, Vanase-Frawley M, Schmidt AW, Menniti F, Schmidt CJ, Hoffman WE, Hajos M, McDowell L, O'Connor RE, Macdougall-Murphy M, Fonseca KR, Becker SL, Nelson FR, Liras S.
Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo... Claffey MM, Helal CJ, Verhoest PR, Kang Z, Fors KS, Jung S, Zhong J, Bundesmann MW, Hou X, Lui S, Kleiman RJ, Vanase-Frawley M, Schmidt AW, Menniti F, Schmidt CJ, Hoffman WE, Hajos M, McDowell L, O'Connor RE, Macdougall-Murphy M, Fonseca KR, Becker SL, Nelson FR, Liras S.: Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J Med Chem, Volume 55 (21), 2012 J Med Chem 2012 23025719
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Clark CG, Rossi KA, Corte JR, Fang T, Smallheer JM, De...
Clark CG, Rossi KA, Corte JR, Fang T, Smallheer JM, De Lucca I, Nirschl DS, Orwat MJ, Pinto DJP, Hu Z, Wang Y, Yang W, Jeon Y, Ewing WR, Myers JE, Sheriff S, Lou Z, Bozarth JM, Wu Y, Rendina A, Harper T, Zheng J, Xin B, Xiang Q, Luettgen JM, Seiffert DA, Wexler RR, Lam PYS.
Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral... Clark CG, Rossi KA, Corte JR, Fang T, Smallheer JM, De Lucca I, Nirschl DS, Orwat MJ, Pinto DJP, Hu Z, Wang Y, Yang W, Jeon Y, Ewing WR, Myers JE, Sheriff S, Lou Z, Bozarth JM, Wu Y, Rendina A, Harper T, Zheng J, Xin B, Xiang Q, Luettgen JM, Seiffert DA, Wexler RR, Lam PYS.: Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability. Bioorg Med Chem Lett, Volume 29 (19), 2019 Bioorg Med Chem Lett 2019 31445854
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Clegg MA, Bamborough P, Chung CW, Craggs PD, Gordon L,...
Clegg MA, Bamborough P, Chung CW, Craggs PD, Gordon L, Grandi P, Leveridge M, Lindon M, Liwicki GM, Michon AM, Molnar J, Rioja I, Soden PE, Theodoulou NH, Werner T, Tomkinson NCO, Prinjha RK, Humphreys PG.
Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the... Clegg MA, Bamborough P, Chung CW, Craggs PD, Gordon L, Grandi P, Leveridge M, Lindon M, Liwicki GM, Michon AM, Molnar J, Rioja I, Soden PE, Theodoulou NH, Werner T, Tomkinson NCO, Prinjha RK, Humphreys PG.: Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains. J Med Chem, Volume 63 (11), 2020 J Med Chem 2020 32410449
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Cleghorn LAT, Ray PC, Odingo J, Kumar A, Wescott H,...
Cleghorn LAT, Ray PC, Odingo J, Kumar A, Wescott H, Korkegian A, Masquelin T, Lopez Moure A, Wilson C, Davis S, Huggett M, Turner P, Smith A, Epemolu O, Zuccotto F, Riley J, Scullion P, Shishikura Y, Ferguson L, Rullas J, Guijarro L, Read KD, Green SR, Hipskind P, Parish T, Wyatt PG.
Identification of Morpholino Thiophenes as Novel Mycobacterium tuberculosis Inhibitors, Targeting QcrB. Cleghorn LAT, Ray PC, Odingo J, Kumar A, Wescott H, Korkegian A, Masquelin T, Lopez Moure A, Wilson C, Davis S, Huggett M, Turner P, Smith A, Epemolu O, Zuccotto F, Riley J, Scullion P, Shishikura Y, Ferguson L, Rullas J, Guijarro L, Read KD, Green SR, Hipskind P, Parish T, Wyatt PG.: Identification of Morpholino Thiophenes as Novel Mycobacterium tuberculosis Inhibitors, Targeting QcrB. J Med Chem, Volume 61 (15), 2018 J Med Chem 2018 29944372
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Cloonan SM, Keating JJ, Butler SG, Knox AJ, Jørgensen AM,...
Cloonan SM, Keating JJ, Butler SG, Knox AJ, Jørgensen AM, Peters GH, Rai D, Corrigan D, Lloyd DG, Williams DC, Meegan MJ.
Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of... Cloonan SM, Keating JJ, Butler SG, Knox AJ, Jørgensen AM, Peters GH, Rai D, Corrigan D, Lloyd DG, Williams DC, Meegan MJ.: Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of anticancer agents. Eur J Med Chem, Volume 44 (12), 2009 Eur J Med Chem 2009 19717215
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Coady MJ, Wallendorff B, Gagnon DG, Lapointe JY.
Coady MJ, Wallendorff B, Gagnon DG, Lapointe JY.
Identification of a novel Na+/myo-inositol cotransporter. Coady MJ, Wallendorff B, Gagnon DG, Lapointe JY.: Identification of a novel Na+/myo-inositol cotransporter. J Biol Chem, Volume 277 (38), 2002 J Biol Chem 2002 12133831
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Cockerill GS, Angell RM, Bedernjak A, Chuckowree I, Fraser...
Cockerill GS, Angell RM, Bedernjak A, Chuckowree I, Fraser I, Gascon-Simorte J, Gilman MSA, Good JAD, Harland R, Johnson SM, Ludes-Meyers JH, Littler E, Lumley J, Lunn G, Mathews N, McLellan JS, Paradowski M, Peeples ME, Scott C, Tait D, Taylor G, Thom M, Thomas E, Villalonga Barber C, Ward SE, Watterson D, Williams G, Young P, Powell K.
Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion. Cockerill GS, Angell RM, Bedernjak A, Chuckowree I, Fraser I, Gascon-Simorte J, Gilman MSA, Good JAD, Harland R, Johnson SM, Ludes-Meyers JH, Littler E, Lumley J, Lunn G, Mathews N, McLellan JS, Paradowski M, Peeples ME, Scott C, Tait D, Taylor G, Thom M, Thomas E, Villalonga Barber C, Ward SE, Watterson D, Williams G, Young P, Powell K.: Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion. J Med Chem, Volume 64 (7), 2021 J Med Chem 2021 33729773
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Codony S, Calvó-Tusell C, Valverde E, Osuna S, Morisseau...
Codony S, Calvó-Tusell C, Valverde E, Osuna S, Morisseau C, Loza MI, Brea J, Pérez C, Rodríguez-Franco MI, Pizarro-Delgado J, Corpas R, Griñán-Ferré C, Pallàs M, Sanfeliu C, Vázquez-Carrera M, Hammock BD, Feixas F, Vázquez S.
From the Design to the In Vivo Evaluation of Benzohomoadamantane-Derived Soluble Epoxide Hydrolase Inhibitors... Codony S, Calvó-Tusell C, Valverde E, Osuna S, Morisseau C, Loza MI, Brea J, Pérez C, Rodríguez-Franco MI, Pizarro-Delgado J, Corpas R, Griñán-Ferré C, Pallàs M, Sanfeliu C, Vázquez-Carrera M, Hammock BD, Feixas F, Vázquez S.: From the Design to the In Vivo Evaluation of Benzohomoadamantane-Derived Soluble Epoxide Hydrolase Inhibitors for the Treatment of Acute Pancreatitis. J Med Chem, Volume 64 (9), 2021 J Med Chem 2021 33945278
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Codony S, Pont C, Griñán-Ferré C, Di Pede-Mattatelli A,...
Codony S, Pont C, Griñán-Ferré C, Di Pede-Mattatelli A, Calvó-Tusell C, Feixas F, Osuna S, Jarné-Ferrer J, Naldi M, Bartolini M, Loza MI, Brea J, Pérez B, Bartra C, Sanfeliu C, Juárez-Jiménez J, Morisseau C, Hammock BD, Pallàs M, Vázquez S, Muñoz-Torrero D.
Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and... Codony S, Pont C, Griñán-Ferré C, Di Pede-Mattatelli A, Calvó-Tusell C, Feixas F, Osuna S, Jarné-Ferrer J, Naldi M, Bartolini M, Loza MI, Brea J, Pérez B, Bartra C, Sanfeliu C, Juárez-Jiménez J, Morisseau C, Hammock BD, Pallàs M, Vázquez S, Muñoz-Torrero D.: Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer's Disease. J Med Chem, Volume 65 (6), 2022 J Med Chem 2022 35271276
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Codony S, Pujol E, Pizarro J, Feixas F, Valverde E, Loza...
Codony S, Pujol E, Pizarro J, Feixas F, Valverde E, Loza MI, Brea JM, Saez E, Oyarzabal J, Pineda-Lucena A, Pérez B, Pérez C, Rodríguez-Franco MI, Leiva R, Osuna S, Morisseau C, Hammock BD, Vázquez-Carrera M, Vázquez S.
2-Oxaadamant-1-yl Ureas as Soluble Epoxide Hydrolase Inhibitors: In Vivo Evaluation in a Murine Model of Acute... Codony S, Pujol E, Pizarro J, Feixas F, Valverde E, Loza MI, Brea JM, Saez E, Oyarzabal J, Pineda-Lucena A, Pérez B, Pérez C, Rodríguez-Franco MI, Leiva R, Osuna S, Morisseau C, Hammock BD, Vázquez-Carrera M, Vázquez S.: 2-Oxaadamant-1-yl Ureas as Soluble Epoxide Hydrolase Inhibitors: In Vivo Evaluation in a Murine Model of Acute Pancreatitis. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32787085
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Codony S, Valverde E, Leiva R, Brea J, Isabel Loza M,...
Codony S, Valverde E, Leiva R, Brea J, Isabel Loza M, Morisseau C, Hammock BD, Vázquez S.
Exploring the size of the lipophilic unit of the soluble epoxide hydrolase inhibitors. Codony S, Valverde E, Leiva R, Brea J, Isabel Loza M, Morisseau C, Hammock BD, Vázquez S.: Exploring the size of the lipophilic unit of the soluble epoxide hydrolase inhibitors. Bioorg Med Chem, Volume 27 (20), 2019 Bioorg Med Chem 2019 31488357
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Cody WL, He JX, Reily MD, Haleen SJ, Walker DM, Reyner EL,...
Cody WL, He JX, Reily MD, Haleen SJ, Walker DM, Reyner EL, Stewart BH, Doherty AM.
Design of a potent combined pseudopeptide endothelin-A/endothelin-B receptor antagonist,... Cody WL, He JX, Reily MD, Haleen SJ, Walker DM, Reyner EL, Stewart BH, Doherty AM.: Design of a potent combined pseudopeptide endothelin-A/endothelin-B receptor antagonist, Ac-DBhg16-Leu-Asp-Ile-[NMe]Ile-Trp21 (PD 156252): examination of its pharmacokinetic and spectral properties. J Med Chem, Volume 40 (14), 1997 J Med Chem 1997 9216842
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Coffman K, Brodney M, Cook J, Lanyon L, Pandit J, Sakya S,...
Coffman K, Brodney M, Cook J, Lanyon L, Pandit J, Sakya S, Schachter J, Tseng-Lovering E, Wessel M.
6-amino-4-(pyrimidin-4-yl)pyridones: novel glycogen synthase kinase-3β inhibitors. Coffman K, Brodney M, Cook J, Lanyon L, Pandit J, Sakya S, Schachter J, Tseng-Lovering E, Wessel M.: 6-amino-4-(pyrimidin-4-yl)pyridones: novel glycogen synthase kinase-3β inhibitors. Bioorg Med Chem Lett, Volume 21 (5), 2011 Bioorg Med Chem Lett 2011 21295469
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Cogan DA, Aungst R, Breinlinger EC, Fadra T, Goldberg DR,...
Cogan DA, Aungst R, Breinlinger EC, Fadra T, Goldberg DR, Hao MH, Kroe R, Moss N, Pargellis C, Qian KC, Swinamer AD.
Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP... Cogan DA, Aungst R, Breinlinger EC, Fadra T, Goldberg DR, Hao MH, Kroe R, Moss N, Pargellis C, Qian KC, Swinamer AD.: Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase. Bioorg Med Chem Lett, Volume 18 (11), 2008 Bioorg Med Chem Lett 2008 18462940
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Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ
Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ
Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations Coimbra JTS, Bras NF, Fernandes PA, Rangel M, Ramos MJ. RSC Adv., Membrane partition of bis-(3-hydroxy-4-pyridinonato) zinc(ii) complexes revealed by molecular dynamics simulations. 2018,8, 27081-27090 RSC Adv. 2018 10.1039/C8RA036...
Total substances: 7
Total passive interactions: 7
Total active interactions: 0
Colabufo NA, Abate C, Contino M, Inglese C, Niso M, Berardi...
Colabufo NA, Abate C, Contino M, Inglese C, Niso M, Berardi F, Perrone R.
PB183, a sigma receptor ligand, as a potential PET probe for the imaging of prostate adenocarcinoma. Colabufo NA, Abate C, Contino M, Inglese C, Niso M, Berardi F, Perrone R.: PB183, a sigma receptor ligand, as a potential PET probe for the imaging of prostate adenocarcinoma. Bioorg Med Chem Lett, Volume 18 (6), 2008 Bioorg Med Chem Lett 2008 18276137
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Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M,...
Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.
4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008 Bioorg Med Chem 2008 18276145
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Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M,...
Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.
Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008 Bioorg Med Chem 2008 17936633
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Colabufo NA, Berardi F, Contino M, Inglese C, Niso M,...
Colabufo NA, Berardi F, Contino M, Inglese C, Niso M, Perrone R.
Effect of some P-glycoprotein modulators on Rhodamine-123 absorption in guinea-pig ileum. Colabufo NA, Berardi F, Contino M, Inglese C, Niso M, Perrone R.: Effect of some P-glycoprotein modulators on Rhodamine-123 absorption in guinea-pig ileum. Bioorg Med Chem Lett, Volume 18 (13), 2008 Bioorg Med Chem Lett 2008 18524592
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Colabufo NA, Contino M, Cantore M, Capparelli E, Perrone...
Colabufo NA, Contino M, Cantore M, Capparelli E, Perrone MG, Cassano G, Gasparre G, Leopoldo M, Berardi F, Perrone R.
Naphthalenyl derivatives for hitting P-gp/MRP1/BCRP transporters. Colabufo NA, Contino M, Cantore M, Capparelli E, Perrone MG, Cassano G, Gasparre G, Leopoldo M, Berardi F, Perrone R.: Naphthalenyl derivatives for hitting P-gp/MRP1/BCRP transporters. Bioorg Med Chem, Volume 21 (5), 2013 Bioorg Med Chem 2013 23347803
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley...
Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.
Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010 Bioorg Med Chem Lett 2010 20042333
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Coleman PJ, Schreier JD, Cox CD, Fraley ME, Garbaccio RM,...
Coleman PJ, Schreier JD, Cox CD, Fraley ME, Garbaccio RM, Buser CA, Walsh ES, Hamilton K, Lobell RB, Rickert K, Tao W, Diehl RE, South VJ, Davide JP, Kohl NE, Yan Y, Kuo L, Prueksaritanont T, Li C, Mahan EA, Fernandez-Metzler C, Salata JJ, Hartman GD.
Kinesin spindle protein (KSP) inhibitors. Part 6: Design and synthesis of 3,5-diaryl-4,5-dihydropyrazole amides as... Coleman PJ, Schreier JD, Cox CD, Fraley ME, Garbaccio RM, Buser CA, Walsh ES, Hamilton K, Lobell RB, Rickert K, Tao W, Diehl RE, South VJ, Davide JP, Kohl NE, Yan Y, Kuo L, Prueksaritanont T, Li C, Mahan EA, Fernandez-Metzler C, Salata JJ, Hartman GD.: Kinesin spindle protein (KSP) inhibitors. Part 6: Design and synthesis of 3,5-diaryl-4,5-dihydropyrazole amides as potent inhibitors of the mitotic kinesin KSP. Bioorg Med Chem Lett, Volume 17 (19), 2007 Bioorg Med Chem Lett 2007 17761419
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Coleman PJ, Schreier JD, McGaughey GB, Bogusky MJ, Cox CD,...
Coleman PJ, Schreier JD, McGaughey GB, Bogusky MJ, Cox CD, Hartman GD, Ball RG, Harrell CM, Reiss DR, Prueksaritanont T, Winrow CJ, Renger JJ.
Design and synthesis of conformationally constrained N,N-disubstituted 1,4-diazepanes as potent orexin receptor... Coleman PJ, Schreier JD, McGaughey GB, Bogusky MJ, Cox CD, Hartman GD, Ball RG, Harrell CM, Reiss DR, Prueksaritanont T, Winrow CJ, Renger JJ.: Design and synthesis of conformationally constrained N,N-disubstituted 1,4-diazepanes as potent orexin receptor antagonists. Bioorg Med Chem Lett, Volume 20 (7), 2010 Bioorg Med Chem Lett 2010 20207138
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Colley HE, Muthana M, Danson SJ, Jackson LV, Brett ML,...
Colley HE, Muthana M, Danson SJ, Jackson LV, Brett ML, Harrison J, Coole SF, Mason DP, Jennings LR, Wong M, Tulasi V, Norman D, Lockey PM, Williams L, Dossetter AG, Griffen EJ, Thompson MJ.
An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth... Colley HE, Muthana M, Danson SJ, Jackson LV, Brett ML, Harrison J, Coole SF, Mason DP, Jennings LR, Wong M, Tulasi V, Norman D, Lockey PM, Williams L, Dossetter AG, Griffen EJ, Thompson MJ.: An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer. J Med Chem, Volume 58 (23), 2015 J Med Chem 2015 26580420
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Collier PN, Twin HC, Knegtel RMA, Boyall D, Brenchley G,...
Collier PN, Twin HC, Knegtel RMA, Boyall D, Brenchley G, Davis CJ, Keily S, Mak C, Miller A, Pierard F, Settimo L, Bolton CM, Chiu P, Curnock A, Doyle E, Tanner AJ, Jimenez JM.
Discovery of Selective, Orally Bioavailable Pyrazolopyridine Inhibitors of Protein Kinase Cθ (PKCθ) That Ameliorate... Collier PN, Twin HC, Knegtel RMA, Boyall D, Brenchley G, Davis CJ, Keily S, Mak C, Miller A, Pierard F, Settimo L, Bolton CM, Chiu P, Curnock A, Doyle E, Tanner AJ, Jimenez JM.: Discovery of Selective, Orally Bioavailable Pyrazolopyridine Inhibitors of Protein Kinase Cθ (PKCθ) That Ameliorate Symptoms of Experimental Autoimmune Encephalomyelitis. ACS Med Chem Lett, Volume 10 (8), 2019 ACS Med Chem Lett 2019 31417666
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Collot M, Ashokkumar P, Anton H, Boutant E, Faklaris O,...
Collot M, Ashokkumar P, Anton H, Boutant E, Faklaris O, Galli T, Mély Y, Danglot L, Klymchenko AS.
MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Collot M, Ashokkumar P, Anton H, Boutant E, Faklaris O, Galli T, Mély Y, Danglot L, Klymchenko AS.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem Biol, Volume 26 (4), 600-614.e7, 2019 Cell Chem Biol 2019 30745238
Total substances: 6
Total passive interactions: 6
Total active interactions: 0
Combs AP.
Combs AP.
Recent advances in the discovery of competitive protein tyrosine phosphatase 1B inhibitors for the treatment of... Combs AP.: Recent advances in the discovery of competitive protein tyrosine phosphatase 1B inhibitors for the treatment of diabetes, obesity, and cancer. J Med Chem, Volume 53 (6), 2010 J Med Chem 2010 20000419
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Come JH, Collier PN, Henderson JA, Pierce AC, Davies RJ, Le...
Come JH, Collier PN, Henderson JA, Pierce AC, Davies RJ, Le Tiran A, O'Dowd H, Bandarage UK, Cao J, Deininger D, Grey R, Krueger EB, Lowe DB, Liang J, Liao Y, Messersmith D, Nanthakumar S, Sizensky E, Wang J, Xu J, Chin EY, Damagnez V, Doran JD, Dworakowski W, Griffith JP, Jacobs MD, Khare-Pandit S, Mahajan S, Moody CS, Aronov AM.
Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide... Come JH, Collier PN, Henderson JA, Pierce AC, Davies RJ, Le Tiran A, O'Dowd H, Bandarage UK, Cao J, Deininger D, Grey R, Krueger EB, Lowe DB, Liang J, Liao Y, Messersmith D, Nanthakumar S, Sizensky E, Wang J, Xu J, Chin EY, Damagnez V, Doran JD, Dworakowski W, Griffith JP, Jacobs MD, Khare-Pandit S, Mahajan S, Moody CS, Aronov AM.: Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase γ (PI3Kγ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS). J Med Chem, Volume 61 (12), 2018 J Med Chem 2018 29847724
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Comer J, Schulten K, Chipot C.
Comer J, Schulten K, Chipot C.
Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles. Comer J, Schulten K, Chipot C.: Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles. J Chem Theory Comput, Volume 13 (6), 2523-2532, 2017 J Chem Theory Comput 2017 28475319
Total substances: 2
Total passive interactions: 4
Total active interactions: 0
Conroy CW, Buck RH
Conroy CW, Buck RH
Influence of Ion Pairing Salts on the Transcorneal Permeability of Ionized Sulfonamides Conroy C. W., Buck, R. H.: Influence of Ion Pairing Salts on the Transcorneal Permeability of Ionized Sulfonamides. J. Ocul. Pharmacol. Ther., 8, 233–240,1992. J. Ocul. Pharmacol. Ther. 1992 https://doi.org...
Total substances: 3
Total passive interactions: 3
Total active interactions: 0
Contino M, Zinzi L, Perrone MG, Leopoldo M, Berardi F,...
Contino M, Zinzi L, Perrone MG, Leopoldo M, Berardi F, Perrone R, Colabufo NA.
Potent and selective tariquidar bioisosters as potential PET radiotracers for imaging P-gp. Contino M, Zinzi L, Perrone MG, Leopoldo M, Berardi F, Perrone R, Colabufo NA.: Potent and selective tariquidar bioisosters as potential PET radiotracers for imaging P-gp. Bioorg Med Chem Lett, Volume 23 (5), 2013 Bioorg Med Chem Lett 2013 23374872
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Coombs TC, Tanega C, Shen M, Wang JL, Auld DS, Gerritz SW,...
Coombs TC, Tanega C, Shen M, Wang JL, Auld DS, Gerritz SW, Schoenen FJ, Thomas CJ, Aubé J.
Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated... Coombs TC, Tanega C, Shen M, Wang JL, Auld DS, Gerritz SW, Schoenen FJ, Thomas CJ, Aubé J.: Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated (Dyrk) kinases: development of chemical probe ML315. Bioorg Med Chem Lett, Volume 23 (12), 2013 Bioorg Med Chem Lett 2013 23642479
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Coon T, Moree WJ, Li B, Yu J, Zamani-Kord S, Malany S,...
Coon T, Moree WJ, Li B, Yu J, Zamani-Kord S, Malany S, Santos MA, Hernandez LM, Petroski RE, Sun A, Wen J, Sullivan S, Haelewyn J, Hedrick M, Hoare SJ, Bradbury MJ, Crowe PD, Beaton G.
Brain-penetrating 2-aminobenzimidazole H(1)-antihistamines for the treatment of insomnia. Coon T, Moree WJ, Li B, Yu J, Zamani-Kord S, Malany S, Santos MA, Hernandez LM, Petroski RE, Sun A, Wen J, Sullivan S, Haelewyn J, Hedrick M, Hoare SJ, Bradbury MJ, Crowe PD, Beaton G.: Brain-penetrating 2-aminobenzimidazole H(1)-antihistamines for the treatment of insomnia. Bioorg Med Chem Lett, Volume 19 (15), 2009 Bioorg Med Chem Lett 2009 19553115
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Cooper M, Llinas A, Hansen P, Caffrey M, Ray A, Sjödin S,...
Cooper M, Llinas A, Hansen P, Caffrey M, Ray A, Sjödin S, Shamovsky I, Wada H, Jellesmark Jensen T, Sivars U, Hultin L, Andersson U, Lundqvist S, Gedda K, Jinton L, Krutrök N, Lewis R, Jansson P, Gardelli C.
Identification and Optimization of Pyrrolidine Derivatives as Highly Potent Ghrelin Receptor Full Agonists. Cooper M, Llinas A, Hansen P, Caffrey M, Ray A, Sjödin S, Shamovsky I, Wada H, Jellesmark Jensen T, Sivars U, Hultin L, Andersson U, Lundqvist S, Gedda K, Jinton L, Krutrök N, Lewis R, Jansson P, Gardelli C.: Identification and Optimization of Pyrrolidine Derivatives as Highly Potent Ghrelin Receptor Full Agonists. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32787075
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Corte JR, Pinto DJP, Fang T, Osuna H, Yang W, Wang Y, Lai...
Corte JR, Pinto DJP, Fang T, Osuna H, Yang W, Wang Y, Lai A, Clark CG, Sun JH, Rampulla R, Mathur A, Kaspady M, Neithnadka PR, Li YC, Rossi KA, Myers JE, Sheriff S, Lou Z, Harper TW, Huang C, Zheng JJ, Bozarth JM, Wu Y, Wong PC, Crain EJ, Seiffert DA, Luettgen JM, Lam PYS, Wexler RR, Ewing WR.
Potent, Orally Bioavailable, and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based... Corte JR, Pinto DJP, Fang T, Osuna H, Yang W, Wang Y, Lai A, Clark CG, Sun JH, Rampulla R, Mathur A, Kaspady M, Neithnadka PR, Li YC, Rossi KA, Myers JE, Sheriff S, Lou Z, Harper TW, Huang C, Zheng JJ, Bozarth JM, Wu Y, Wong PC, Crain EJ, Seiffert DA, Luettgen JM, Lam PYS, Wexler RR, Ewing WR.: Potent, Orally Bioavailable, and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J Med Chem, Volume 63 (2), 2020 J Med Chem 2020 31833761
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Corte JR, Yang W, Fang T, Wang Y, Osuna H, Lai A, Ewing WR,...
Corte JR, Yang W, Fang T, Wang Y, Osuna H, Lai A, Ewing WR, Rossi KA, Myers JE, Sheriff S, Lou Z, Zheng JJ, Harper TW, Bozarth JM, Wu Y, Luettgen JM, Seiffert DA, Quan ML, Wexler RR, Lam PYS.
Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Corte JR, Yang W, Fang T, Wang Y, Osuna H, Lai A, Ewing WR, Rossi KA, Myers JE, Sheriff S, Lou Z, Zheng JJ, Harper TW, Bozarth JM, Wu Y, Luettgen JM, Seiffert DA, Quan ML, Wexler RR, Lam PYS.: Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg Med Chem Lett, Volume 27 (16), 2017 Bioorg Med Chem Lett 2017 28687203
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Court JJ, Poisson C, Ardzinski A, Bilimoria D, Chan L,...
Court JJ, Poisson C, Ardzinski A, Bilimoria D, Chan L, Chandupatla K, Chauret N, Collier PN, Das SK, Denis F, Dorsch W, Iyer G, Lauffer D, L'Heureux L, Li P, Luisi BS, Mani N, Nanthakumar S, Nicolas O, Rao BG, Ronkin S, Selliah S, Shawgo RS, Tang Q, Waal ND, Yannopoulos CG, Green J.
Discovery of Novel Thiophene-Based, Thumb Pocket 2 Allosteric Inhibitors of the Hepatitis C NS5B Polymerase with... Court JJ, Poisson C, Ardzinski A, Bilimoria D, Chan L, Chandupatla K, Chauret N, Collier PN, Das SK, Denis F, Dorsch W, Iyer G, Lauffer D, L'Heureux L, Li P, Luisi BS, Mani N, Nanthakumar S, Nicolas O, Rao BG, Ronkin S, Selliah S, Shawgo RS, Tang Q, Waal ND, Yannopoulos CG, Green J.: Discovery of Novel Thiophene-Based, Thumb Pocket 2 Allosteric Inhibitors of the Hepatitis C NS5B Polymerase with Improved Potency and Physicochemical Profiles. J Med Chem, Volume 59 (13), 2016 J Med Chem 2016 27366941
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Craddock AL, Love MW, Daniel RW, Kirby LC, Walters HC, Wong...
Craddock AL, Love MW, Daniel RW, Kirby LC, Walters HC, Wong MH, Dawson PA.
Expression and transport properties of the human ileal and renal sodium-dependent bile acid transporter. Craddock AL, Love MW, Daniel RW, Kirby LC, Walters HC, Wong MH, Dawson PA.: Expression and transport properties of the human ileal and renal sodium-dependent bile acid transporter. Am J Physiol, Volume 274 (1), 1998 Am J Physiol 1998 9458785
Total substances: 9
Total passive interactions: 0
Total active interactions: 16
Crawford JJ, Lee W, Aliagas I, Mathieu S, Hoeflich KP, Zhou...
Crawford JJ, Lee W, Aliagas I, Mathieu S, Hoeflich KP, Zhou W, Wang W, Rouge L, Murray L, La H, Liu N, Fan PW, Cheong J, Heise CE, Ramaswamy S, Mintzer R, Liu Y, Chao Q, Rudolph J.
Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors. Crawford JJ, Lee W, Aliagas I, Mathieu S, Hoeflich KP, Zhou W, Wang W, Rouge L, Murray L, La H, Liu N, Fan PW, Cheong J, Heise CE, Ramaswamy S, Mintzer R, Liu Y, Chao Q, Rudolph J.: Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors. J Med Chem, Volume 58 (12), 2015 J Med Chem 2015 26030457
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Crawford JJ, Lee W, Johnson AR, Delatorre KJ, Chen J,...
Crawford JJ, Lee W, Johnson AR, Delatorre KJ, Chen J, Eigenbrot C, Heidmann J, Kakiuchi-Kiyota S, Katewa A, Kiefer JR, Liu L, Lubach JW, Misner D, Purkey H, Reif K, Vogt J, Wong H, Yu C, Young WB.
Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Crawford JJ, Lee W, Johnson AR, Delatorre KJ, Chen J, Eigenbrot C, Heidmann J, Kakiuchi-Kiyota S, Katewa A, Kiefer JR, Liu L, Lubach JW, Misner D, Purkey H, Reif K, Vogt J, Wong H, Yu C, Young WB.: Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. ACS Med Chem Lett, Volume 11 (8), 2020 ACS Med Chem Lett 2020 32832028
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Crawford TD, Romero FA, Lai KW, Tsui V, Taylor AM, de Leon...
Crawford TD, Romero FA, Lai KW, Tsui V, Taylor AM, de Leon Boenig G, Noland CL, Murray J, Ly J, Choo EF, Hunsaker TL, Chan EW, Merchant M, Kharbanda S, Gascoigne KE, Kaufman S, Beresini MH, Liao J, Liu W, Chen KX, Chen Z, Conery AR, Côté A, Jayaram H, Jiang Y, Kiefer JR, Kleinheinz T, Li Y, Maher J, Pardo E, Poy F, Spillane KL, Wang F, Wang J, Wei X, Xu Z, Xu Z, Yen I, Zawadzke L, Zhu X, Bellon S, Cummings R, Cochran AG, Albrecht BK, Magnuson S.
Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. Crawford TD, Romero FA, Lai KW, Tsui V, Taylor AM, de Leon Boenig G, Noland CL, Murray J, Ly J, Choo EF, Hunsaker TL, Chan EW, Merchant M, Kharbanda S, Gascoigne KE, Kaufman S, Beresini MH, Liao J, Liu W, Chen KX, Chen Z, Conery AR, Côté A, Jayaram H, Jiang Y, Kiefer JR, Kleinheinz T, Li Y, Maher J, Pardo E, Poy F, Spillane KL, Wang F, Wang J, Wei X, Xu Z, Xu Z, Yen I, Zawadzke L, Zhu X, Bellon S, Cummings R, Cochran AG, Albrecht BK, Magnuson S.: Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J Med Chem, Volume 59 (23), 2016 J Med Chem 2016 27682507
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Cristancho Ortiz CJ, de Freitas Silva M, Pruccoli L,...
Cristancho Ortiz CJ, de Freitas Silva M, Pruccoli L, Fonseca Nadur N, de Azevedo LL, Kümmerle AE, Guedes IA, Dardenne LE, Leomil Coelho LF, Guimarães MJ, da Silva FMR, Castro N, Gontijo VS, Rojas VCT, de Oliveira MK, Vilela FC, Giusti-Paiva A, Barbosa G, Lima LM, Pinheiro GB, Veras LG, Mortari MR, Tarozzi A, Viegas C.
Design, synthesis, and biological evaluation of new thalidomide-donepezil hybrids as neuroprotective agents targeting... Cristancho Ortiz CJ, de Freitas Silva M, Pruccoli L, Fonseca Nadur N, de Azevedo LL, Kümmerle AE, Guedes IA, Dardenne LE, Leomil Coelho LF, Guimarães MJ, da Silva FMR, Castro N, Gontijo VS, Rojas VCT, de Oliveira MK, Vilela FC, Giusti-Paiva A, Barbosa G, Lima LM, Pinheiro GB, Veras LG, Mortari MR, Tarozzi A, Viegas C.: Design, synthesis, and biological evaluation of new thalidomide-donepezil hybrids as neuroprotective agents targeting cholinesterases and neuroinflammation. RSC Med Chem, Volume 13 (5), 2022 RSC Med Chem 2022 35694691
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Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger...
Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.
Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010 Bioorg Med Chem Lett 2010 20471256
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Cros CD, Toth I, Blanchfield JT.
Cros CD, Toth I, Blanchfield JT.
Lipophilic derivatives of leu-enkephalinamide: in vitro permeability, stability and in vivo nasal delivery. Cros CD, Toth I, Blanchfield JT.: Lipophilic derivatives of leu-enkephalinamide: in vitro permeability, stability and in vivo nasal delivery. Bioorg Med Chem, Volume 19 (4), 2011 Bioorg Med Chem 2011 21273080
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Crosignani S, Bingham P, Bottemanne P, Cannelle H,...
Crosignani S, Bingham P, Bottemanne P, Cannelle H, Cauwenberghs S, Cordonnier M, Dalvie D, Deroose F, Feng JL, Gomes B, Greasley S, Kaiser SE, Kraus M, Négrerie M, Maegley K, Miller N, Murray BW, Schneider M, Soloweij J, Stewart AE, Tumang J, Torti VR, Van Den Eynde B, Wythes M.
Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor... Crosignani S, Bingham P, Bottemanne P, Cannelle H, Cauwenberghs S, Cordonnier M, Dalvie D, Deroose F, Feng JL, Gomes B, Greasley S, Kaiser SE, Kraus M, Négrerie M, Maegley K, Miller N, Murray BW, Schneider M, Soloweij J, Stewart AE, Tumang J, Torti VR, Van Den Eynde B, Wythes M.: Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate. J Med Chem, Volume 60 (23), 2017 J Med Chem 2017 29111717
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Crosignani S, Bombrun A, Covini D, Maio M, Marin D,...
Crosignani S, Bombrun A, Covini D, Maio M, Marin D, Quattropani A, Swinnen D, Simpson D, Sauer W, Françon B, Martin T, Cambet Y, Nichols A, Martinou I, Burgat-Charvillon F, Rivron D, Donini C, Schott O, Eligert V, Novo-Perez L, Vitte PA, Arrighi JF.
Discovery of a novel series of potent S1P1 agonists. Crosignani S, Bombrun A, Covini D, Maio M, Marin D, Quattropani A, Swinnen D, Simpson D, Sauer W, Françon B, Martin T, Cambet Y, Nichols A, Martinou I, Burgat-Charvillon F, Rivron D, Donini C, Schott O, Eligert V, Novo-Perez L, Vitte PA, Arrighi JF.: Discovery of a novel series of potent S1P1 agonists. Bioorg Med Chem Lett, Volume 20 (5), 2010 Bioorg Med Chem Lett 2010 20149651
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Crosignani S, Jorand-Lebrun C, Campbell G, Prêtre A,...
Crosignani S, Jorand-Lebrun C, Campbell G, Prêtre A, Grippi-Vallotton T, Quattropani A, Bouscary-Desforges G, Bombrun A, Missotten M, Humbert Y, Frémaux C, Pâquet M, El Harkani K, Bradshaw CG, Cleva C, Abla N, Daff H, Schott O, Pittet PA, Arrighi JF, Gaudet M, Johnson Z.
Discovery of a Novel Series of CRTH2 (DP2) Receptor Antagonists Devoid of Carboxylic Acids. Crosignani S, Jorand-Lebrun C, Campbell G, Prêtre A, Grippi-Vallotton T, Quattropani A, Bouscary-Desforges G, Bombrun A, Missotten M, Humbert Y, Frémaux C, Pâquet M, El Harkani K, Bradshaw CG, Cleva C, Abla N, Daff H, Schott O, Pittet PA, Arrighi JF, Gaudet M, Johnson Z.: Discovery of a Novel Series of CRTH2 (DP2) Receptor Antagonists Devoid of Carboxylic Acids. ACS Med Chem Lett, Volume 2 (12), 2011 ACS Med Chem Lett 2011 24900284
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Crosignani S, Jorand-Lebrun C, Page P, Campbell G, Colovray...
Crosignani S, Jorand-Lebrun C, Page P, Campbell G, Colovray V, Missotten M, Humbert Y, Cleva C, Arrighi JF, Gaudet M, Johnson Z, Ferro P, Chollet A.
Optimization of the Central Core of Indolinone-Acetic Acid-Based CRTH2 (DP2) Receptor Antagonists. Crosignani S, Jorand-Lebrun C, Page P, Campbell G, Colovray V, Missotten M, Humbert Y, Cleva C, Arrighi JF, Gaudet M, Johnson Z, Ferro P, Chollet A.: Optimization of the Central Core of Indolinone-Acetic Acid-Based CRTH2 (DP2) Receptor Antagonists. ACS Med Chem Lett, Volume 2 (8), 2011 ACS Med Chem Lett 2011 24900359
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Crosignani S, Missotten M, Cleva C, Dondi R, Ratinaud Y,...
Crosignani S, Missotten M, Cleva C, Dondi R, Ratinaud Y, Humbert Y, Mandal AB, Bombrun A, Power C, Chollet A, Proudfoot A.
Discovery of a novel series of CXCR3 antagonists. Crosignani S, Missotten M, Cleva C, Dondi R, Ratinaud Y, Humbert Y, Mandal AB, Bombrun A, Power C, Chollet A, Proudfoot A.: Discovery of a novel series of CXCR3 antagonists. Bioorg Med Chem Lett, Volume 20 (12), 2010 Bioorg Med Chem Lett 2010 20483605
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Crosignani S, Page P, Missotten M, Colovray V, Cleva C,...
Crosignani S, Page P, Missotten M, Colovray V, Cleva C, Arrighi JF, Atherall J, Macritchie J, Martin T, Humbert Y, Gaudet M, Pupowicz D, Maio M, Pittet PA, Golzio L, Giachetti C, Rocha C, Bernardinelli G, Filinchuk Y, Scheer A, Schwarz MK, Chollet A.
Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the... Crosignani S, Page P, Missotten M, Colovray V, Cleva C, Arrighi JF, Atherall J, Macritchie J, Martin T, Humbert Y, Gaudet M, Pupowicz D, Maio M, Pittet PA, Golzio L, Giachetti C, Rocha C, Bernardinelli G, Filinchuk Y, Scheer A, Schwarz MK, Chollet A.: Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. J Med Chem, Volume 51 (7), 2008 J Med Chem 2008 18318469
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Crosignani S, Prêtre A, Jorand-Lebrun C, Fraboulet G,...
Crosignani S, Prêtre A, Jorand-Lebrun C, Fraboulet G, Seenisamy J, Augustine JK, Missotten M, Humbert Y, Cleva C, Abla N, Daff H, Schott O, Schneider M, Burgat-Charvillon F, Rivron D, Hamernig I, Arrighi JF, Gaudet M, Zimmerli SC, Juillard P, Johnson Z.
Discovery of potent, selective, and orally bioavailable alkynylphenoxyacetic acid CRTH2 (DP2) receptor antagonists for... Crosignani S, Prêtre A, Jorand-Lebrun C, Fraboulet G, Seenisamy J, Augustine JK, Missotten M, Humbert Y, Cleva C, Abla N, Daff H, Schott O, Schneider M, Burgat-Charvillon F, Rivron D, Hamernig I, Arrighi JF, Gaudet M, Zimmerli SC, Juillard P, Johnson Z.: Discovery of potent, selective, and orally bioavailable alkynylphenoxyacetic acid CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. J Med Chem, Volume 54 (20), 2011 J Med Chem 2011 21916510
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Cross RM, Flanigan DL, Monastyrskyi A, LaCrue AN, Sáenz...
Cross RM, Flanigan DL, Monastyrskyi A, LaCrue AN, Sáenz FE, Maignan JR, Mutka TS, White KL, Shackleford DM, Bathurst I, Fronczek FR, Wojtas L, Guida WC, Charman SA, Burrows JN, Kyle DE, Manetsch R.
Orally bioavailable 6-chloro-7-methoxy-4(1H)-quinolones efficacious against multiple stages of Plasmodium. Cross RM, Flanigan DL, Monastyrskyi A, LaCrue AN, Sáenz FE, Maignan JR, Mutka TS, White KL, Shackleford DM, Bathurst I, Fronczek FR, Wojtas L, Guida WC, Charman SA, Burrows JN, Kyle DE, Manetsch R.: Orally bioavailable 6-chloro-7-methoxy-4(1H)-quinolones efficacious against multiple stages of Plasmodium. J Med Chem, Volume 57 (21), 2014 J Med Chem 2014 25148516
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Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle...
Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.
Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and... Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011 J Med Chem 2011 21630666
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Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE,...
Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.
Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted... Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010 J Med Chem 2010 20828199
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Cuboni S, Devigny C, Hoogeland B, Strasser A, Pomplun S,...
Cuboni S, Devigny C, Hoogeland B, Strasser A, Pomplun S, Hauger B, Höfner G, Wanner KT, Eder M, Buschauer A, Holsboer F, Hausch F.
Loratadine and analogues: discovery and preliminary structure-activity relationship of inhibitors of the amino acid... Cuboni S, Devigny C, Hoogeland B, Strasser A, Pomplun S, Hauger B, Höfner G, Wanner KT, Eder M, Buschauer A, Holsboer F, Hausch F.: Loratadine and analogues: discovery and preliminary structure-activity relationship of inhibitors of the amino acid transporter B(0)AT2. J Med Chem, Volume 57 (22), 2014 J Med Chem 2014 25318072
Total substances: 4
Total passive interactions: 0
Total active interactions: 5
Cui JJ, McTigue M, Nambu M, Tran-Dubé M, Pairish M, Shen...
Cui JJ, McTigue M, Nambu M, Tran-Dubé M, Pairish M, Shen H, Jia L, Cheng H, Hoffman J, Le P, Jalaie M, Goetz GH, Ryan K, Grodsky N, Deng YL, Parker M, Timofeevski S, Murray BW, Yamazaki S, Aguirre S, Li Q, Zou H, Christensen J.
Discovery of a novel class of exquisitely selective mesenchymal-epithelial transition factor (c-MET) protein kinase... Cui JJ, McTigue M, Nambu M, Tran-Dubé M, Pairish M, Shen H, Jia L, Cheng H, Hoffman J, Le P, Jalaie M, Goetz GH, Ryan K, Grodsky N, Deng YL, Parker M, Timofeevski S, Murray BW, Yamazaki S, Aguirre S, Li Q, Zou H, Christensen J.: Discovery of a novel class of exquisitely selective mesenchymal-epithelial transition factor (c-MET) protein kinase inhibitors and identification of the clinical candidate 2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol (PF-04217903) for the treatment of cancer. J Med Chem, Volume 55 (18), 2012 J Med Chem 2012 22924734
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Cui Y, König J, Leier I, Buchholz U, Keppler D.
Cui Y, König J, Leier I, Buchholz U, Keppler D.
Hepatic uptake of bilirubin and its conjugates by the human organic anion transporter SLC21A6. Cui Y, König J, Leier I, Buchholz U, Keppler D.: Hepatic uptake of bilirubin and its conjugates by the human organic anion transporter SLC21A6. J Biol Chem, Volume 276 (13), 2001 J Biol Chem 2001 11134001
Total substances: 7
Total passive interactions: 0
Total active interactions: 9
Culshaw AJ, Bevan S, Christiansen M, Copp P, Davis A, Davis...
Culshaw AJ, Bevan S, Christiansen M, Copp P, Davis A, Davis C, Dyson A, Dziadulewicz EK, Edwards L, Eggelte H, Fox A, Gentry C, Groarke A, Hallett A, Hart TW, Hughes GA, Knights S, Kotsonis P, Lee W, Lyothier I, McBryde A, McIntyre P, Paloumbis G, Panesar M, Patel S, Seiler MP, Yaqoob M, Zimmermann K.
Identification and biological characterization of 6-aryl-7-isopropylquinazolinones as novel TRPV1 antagonists that are... Culshaw AJ, Bevan S, Christiansen M, Copp P, Davis A, Davis C, Dyson A, Dziadulewicz EK, Edwards L, Eggelte H, Fox A, Gentry C, Groarke A, Hallett A, Hart TW, Hughes GA, Knights S, Kotsonis P, Lee W, Lyothier I, McBryde A, McIntyre P, Paloumbis G, Panesar M, Patel S, Seiler MP, Yaqoob M, Zimmermann K.: Identification and biological characterization of 6-aryl-7-isopropylquinazolinones as novel TRPV1 antagonists that are effective in models of chronic pain. J Med Chem, Volume 49 (2), 2006 J Med Chem 2006 16420034
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Cumming JG, Tucker H, Oldfield J, Fielding C, Highton A,...
Cumming JG, Tucker H, Oldfield J, Fielding C, Highton A, Faull A, Wild M, Brown D, Wells S, Shaw J.
Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment... Cumming JG, Tucker H, Oldfield J, Fielding C, Highton A, Faull A, Wild M, Brown D, Wells S, Shaw J.: Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis. Bioorg Med Chem Lett, Volume 22 (4), 2012 Bioorg Med Chem Lett 2012 22266038
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Curreli F, Ahmed S, Benedict Victor SM, Iusupov IR, Belov...
Curreli F, Ahmed S, Benedict Victor SM, Iusupov IR, Belov DS, Markov PO, Kurkin AV, Altieri A, Debnath AK.
Preclinical Optimization of gp120 Entry Antagonists as anti-HIV-1 Agents with Improved Cytotoxicity and ADME Properties... Curreli F, Ahmed S, Benedict Victor SM, Iusupov IR, Belov DS, Markov PO, Kurkin AV, Altieri A, Debnath AK.: Preclinical Optimization of gp120 Entry Antagonists as anti-HIV-1 Agents with Improved Cytotoxicity and ADME Properties through Rational Design, Synthesis, and Antiviral Evaluation. J Med Chem, Volume 63 (4), 2020 J Med Chem 2020 32031803
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Curreli F, Kwon YD, Belov DS, Ramesh RR, Kurkin AV, Altieri...
Curreli F, Kwon YD, Belov DS, Ramesh RR, Kurkin AV, Altieri A, Kwong PD, Debnath AK.
Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target... Curreli F, Kwon YD, Belov DS, Ramesh RR, Kurkin AV, Altieri A, Kwong PD, Debnath AK.: Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120. J Med Chem, Volume 60 (7), 2017 J Med Chem 2017 28266845
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Curtin ML, Pliushchev MA, Li HQ, Torrent M, Dietrich JD,...
Curtin ML, Pliushchev MA, Li HQ, Torrent M, Dietrich JD, Jakob CG, Zhu H, Zhao H, Wang Y, Ji Z, Clark RF, Sarris KA, Selvaraju S, Shaw B, Algire MA, He Y, Richardson PL, Sweis RF, Sun C, Chiang GG, Michaelides MR.
SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED... Curtin ML, Pliushchev MA, Li HQ, Torrent M, Dietrich JD, Jakob CG, Zhu H, Zhao H, Wang Y, Ji Z, Clark RF, Sarris KA, Selvaraju S, Shaw B, Algire MA, He Y, Richardson PL, Sweis RF, Sun C, Chiang GG, Michaelides MR.: SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg Med Chem Lett, Volume 27 (7), 2017 Bioorg Med Chem Lett 2017 28254486
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Curtis NJ, Mooney L, Hopcroft L, Michopoulos F, Whalley N,...
Curtis NJ, Mooney L, Hopcroft L, Michopoulos F, Whalley N, Zhong H, Murray C, Logie A, Revill M, Byth KF, Benjamin AD, Firth MA, Green S, Smith PD, Critchlow SE.
Pre-clinical pharmacology of AZD3965, a selective inhibitor of MCT1: DLBCL, NHL and Burkitt's lymphoma anti-tumor... Curtis NJ, Mooney L, Hopcroft L, Michopoulos F, Whalley N, Zhong H, Murray C, Logie A, Revill M, Byth KF, Benjamin AD, Firth MA, Green S, Smith PD, Critchlow SE.: Pre-clinical pharmacology of AZD3965, a selective inhibitor of MCT1: DLBCL, NHL and Burkitt's lymphoma anti-tumor activity. Oncotarget, Volume 8 (41), 2017 Oncotarget 2017 29050199
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL,...
Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL, Cardozo MG, Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H, Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR, Brown ML.
Discovery of potent and selective PKC-theta inhibitors. Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL, Cardozo MG, Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H, Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR, Brown ML.: Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007 Bioorg Med Chem Lett 2007 17055721
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Czodrowski P, Mallinger A, Wienke D, Esdar C, Pöschke O,...
Czodrowski P, Mallinger A, Wienke D, Esdar C, Pöschke O, Busch M, Rohdich F, Eccles SA, Ortiz-Ruiz MJ, Schneider R, Raynaud FI, Clarke PA, Musil D, Schwarz D, Dale T, Urbahns K, Blagg J, Schiemann K.
Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by... Czodrowski P, Mallinger A, Wienke D, Esdar C, Pöschke O, Busch M, Rohdich F, Eccles SA, Ortiz-Ruiz MJ, Schneider R, Raynaud FI, Clarke PA, Musil D, Schwarz D, Dale T, Urbahns K, Blagg J, Schiemann K.: Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J Med Chem, Volume 59 (20), 2016 J Med Chem 2016 27490956
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T,...
D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T, Vasina L, Havlík M, Ruml T, Král V.
Metallomics for Alzheimer's disease treatment: Use of new generation of chelators combining metal-cation binding and... D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T, Vasina L, Havlík M, Ruml T, Král V.: Metallomics for Alzheimer's disease treatment: Use of new generation of chelators combining metal-cation binding and transport properties. Eur J Med Chem, Volume 150, 2018 Eur J Med Chem 2018 29525434
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da Silva VBR, Campos BRKL, de Oliveira JF, Decout JL, do...
da Silva VBR, Campos BRKL, de Oliveira JF, Decout JL, do Carmo Alves de Lima M.
Medicinal chemistry of antischistosomal drugs: Praziquantel and oxamniquine. da Silva VBR, Campos BRKL, de Oliveira JF, Decout JL, do Carmo Alves de Lima M.: Medicinal chemistry of antischistosomal drugs: Praziquantel and oxamniquine. Bioorg Med Chem, Volume 25 (13), 2017 Bioorg Med Chem 2017 28495384
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Dahan A, Sabit H, Amidon GL.
Dahan A, Sabit H, Amidon GL.
The H2 receptor antagonist nizatidine is a P-glycoprotein substrate: characterization of its intestinal epithelial cell... Dahan A, Sabit H, Amidon GL.: The H2 receptor antagonist nizatidine is a P-glycoprotein substrate: characterization of its intestinal epithelial cell efflux transport. AAPS J, Volume 11 (2), 2009 AAPS J 2009 19319690
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Dahl R, Bravo Y, Sharma V, Ichikawa M, Dhanya RP, Hedrick...
Dahl R, Bravo Y, Sharma V, Ichikawa M, Dhanya RP, Hedrick M, Brown B, Rascon J, Vicchiarelli M, Mangravita-Novo A, Yang L, Stonich D, Su Y, Smith LH, Sergienko E, Freeze HH, Cosford ND.
Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital... Dahl R, Bravo Y, Sharma V, Ichikawa M, Dhanya RP, Hedrick M, Brown B, Rascon J, Vicchiarelli M, Mangravita-Novo A, Yang L, Stonich D, Su Y, Smith LH, Sergienko E, Freeze HH, Cosford ND.: Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. J Med Chem, Volume 54 (10), 2011 J Med Chem 2011 21539312
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Dang X, Williams SB, Devanathan S, Franco A, Fu L,...
Dang X, Williams SB, Devanathan S, Franco A, Fu L, Bernstein PR, Walters D, Dorn GW.
Pharmacophore-Based Design of Phenyl-[hydroxycyclohexyl] Cycloalkyl-Carboxamide Mitofusin Activators with Improved... Dang X, Williams SB, Devanathan S, Franco A, Fu L, Bernstein PR, Walters D, Dorn GW.: Pharmacophore-Based Design of Phenyl-[hydroxycyclohexyl] Cycloalkyl-Carboxamide Mitofusin Activators with Improved Neuronal Activity. J Med Chem, Volume 64 (17), 2021 J Med Chem 2021 34415150
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Dang X, Zhang L, Franco A, Li J, Rocha AG, Devanathan S,...
Dang X, Zhang L, Franco A, Li J, Rocha AG, Devanathan S, Dolle RE, Bernstein PR, Dorn GW.
Discovery of 6-Phenylhexanamide Derivatives as Potent Stereoselective Mitofusin Activators for the Treatment of... Dang X, Zhang L, Franco A, Li J, Rocha AG, Devanathan S, Dolle RE, Bernstein PR, Dorn GW.: Discovery of 6-Phenylhexanamide Derivatives as Potent Stereoselective Mitofusin Activators for the Treatment of Mitochondrial Diseases. J Med Chem, Volume 63 (13), 2020 J Med Chem 2020 32506913
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Danthi SJ, Liang B, Smicker O, Coupland B, Gregory J,...
Danthi SJ, Liang B, Smicker O, Coupland B, Gregory J, Gefteas E, Tietz D, Klodnitsky H, Randall K, Belanger A, Kuntzweiler TA.
Identification and Characterization of Inhibitors of a Neutral Amino Acid Transporter, SLC6A19, Using Two Functional... Danthi SJ, Liang B, Smicker O, Coupland B, Gregory J, Gefteas E, Tietz D, Klodnitsky H, Randall K, Belanger A, Kuntzweiler TA.: Identification and Characterization of Inhibitors of a Neutral Amino Acid Transporter, SLC6A19, Using Two Functional Cell-Based Assays. SLAS Discov, Volume 24 (2), 2019 SLAS Discov 2019 30589598
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Darwich Z, Kucherak OA, Kreder R, Richert L, Vauchelles R,...
Darwich Z, Kucherak OA, Kreder R, Richert L, Vauchelles R, Mély Y, Klymchenko AS.
Rational design of fluorescent membrane probes for apoptosis based on 3-hydroxyflavone. Darwich Z, Kucherak OA, Kreder R, Richert L, Vauchelles R, Mély Y, Klymchenko AS.: Rational design of fluorescent membrane probes for apoptosis based on 3-hydroxyflavone. Methods Appl Fluoresc, Volume 1 (2), 025002, 2013 Methods Appl Fluoresc 2013 29148441
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Das J, Moquin RV, Dyckman AJ, Li T, Pitt S, Zhang R, Shen...
Das J, Moquin RV, Dyckman AJ, Li T, Pitt S, Zhang R, Shen DR, McIntyre KW, Gillooly K, Doweyko AM, Newitt JA, Sack JS, Zhang H, Kiefer SE, Kish K, McKinnon M, Barrish JC, Dodd JH, Schieven GL, Leftheris K.
5-amino-pyrazoles as potent and selective p38α inhibitors. Das J, Moquin RV, Dyckman AJ, Li T, Pitt S, Zhang R, Shen DR, McIntyre KW, Gillooly K, Doweyko AM, Newitt JA, Sack JS, Zhang H, Kiefer SE, Kish K, McKinnon M, Barrish JC, Dodd JH, Schieven GL, Leftheris K.: 5-amino-pyrazoles as potent and selective p38α inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010 Bioorg Med Chem Lett 2010 21035336
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Das S, Shelke DE, Harde RL, Avhad VB, Khairatkar-Joshi N,...
Das S, Shelke DE, Harde RL, Avhad VB, Khairatkar-Joshi N, Gullapalli S, Gupta PK, Gandhi MN, Bhateja DK, Bajpai M, Joshi AA, Marathe MY, Gudi GS, Jadhav SB, Mahat MY, Thomas A.
Design, synthesis and pharmacological evaluation of novel polycyclic heteroarene ethers as PDE10A inhibitors: part II. Das S, Shelke DE, Harde RL, Avhad VB, Khairatkar-Joshi N, Gullapalli S, Gupta PK, Gandhi MN, Bhateja DK, Bajpai M, Joshi AA, Marathe MY, Gudi GS, Jadhav SB, Mahat MY, Thomas A.: Design, synthesis and pharmacological evaluation of novel polycyclic heteroarene ethers as PDE10A inhibitors: part II. Bioorg Med Chem Lett, Volume 24 (15), 2014 Bioorg Med Chem Lett 2014 24980052
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Das U, Singh RS, Alcorn J, Hickman MR, Sciotti RJ, Leed SE,...
Das U, Singh RS, Alcorn J, Hickman MR, Sciotti RJ, Leed SE, Lee PJ, Roncal N, Dimmock JR.
3,5-bis(benzylidene)-4-piperidones and related N-acyl analogs: a novel cluster of antimalarials targeting the liver... Das U, Singh RS, Alcorn J, Hickman MR, Sciotti RJ, Leed SE, Lee PJ, Roncal N, Dimmock JR.: 3,5-bis(benzylidene)-4-piperidones and related N-acyl analogs: a novel cluster of antimalarials targeting the liver stage of Plasmodium falciparum. Bioorg Med Chem, Volume 21 (23), 2013 Bioorg Med Chem 2013 24139941
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Dash AK, Mukherjee D, Dhulap A, Haider S, Kumar D.
Dash AK, Mukherjee D, Dhulap A, Haider S, Kumar D.
Green chemistry appended synthesis, metabolic stability and pharmacokinetic assessment of medicinally important... Dash AK, Mukherjee D, Dhulap A, Haider S, Kumar D.: Green chemistry appended synthesis, metabolic stability and pharmacokinetic assessment of medicinally important chromene dihydropyrimidinones. Bioorg Med Chem Lett, Volume 29 (24), 2019 Bioorg Med Chem Lett 2019 31699608
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Davenport AJ, Stimson CC, Corsi M, Vaidya D, Glenn E, Jones...
Davenport AJ, Stimson CC, Corsi M, Vaidya D, Glenn E, Jones TD, Bailey S, Gemkow MJ, Fritz U, Hallett DJ.
Discovery of substituted benzyl tetrazoles as histamine H3 receptor antagonists. Davenport AJ, Stimson CC, Corsi M, Vaidya D, Glenn E, Jones TD, Bailey S, Gemkow MJ, Fritz U, Hallett DJ.: Discovery of substituted benzyl tetrazoles as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (17), 2010 Bioorg Med Chem Lett 2010 20667729
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Davies JC, Moskowitz SM, Brown C, Horsley A, Mall MA,...
Davies JC, Moskowitz SM, Brown C, Horsley A, Mall MA, McKone EF, Plant BJ, Prais D, Ramsey BW, Taylor-Cousar JL, Tullis E, Uluer A, McKee CM, Robertson S, Shilling RA, Simard C, Van Goor F, Waltz D, Xuan F, Young T, Rowe SM, VX16-659-101 Study Group.
VX-659-Tezacaftor-Ivacaftor in Patients with Cystic Fibrosis and One or Two Phe508del Alleles. Davies JC, Moskowitz SM, Brown C, Horsley A, Mall MA, McKone EF, Plant BJ, Prais D, Ramsey BW, Taylor-Cousar JL, Tullis E, Uluer A, McKee CM, Robertson S, Shilling RA, Simard C, Van Goor F, Waltz D, Xuan F, Young T, Rowe SM, VX16-659-101 Study Group.: VX-659-Tezacaftor-Ivacaftor in Patients with Cystic Fibrosis and One or Two Phe508del Alleles. N Engl J Med, Volume 379 (17), 2018 N Engl J Med 2018 30334693
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Davis GC, Kong Y, Paige M, Li Z, Merrick EC, Hansen T, Suy...
Davis GC, Kong Y, Paige M, Li Z, Merrick EC, Hansen T, Suy S, Wang K, Dakshanamurthy S, Cordova A, McManus OB, Williams BS, Chruszcz M, Minor W, Patel MK, Brown ML.
Asymmetric synthesis and evaluation of a hydroxyphenylamide voltage-gated sodium channel blocker in human prostate... Davis GC, Kong Y, Paige M, Li Z, Merrick EC, Hansen T, Suy S, Wang K, Dakshanamurthy S, Cordova A, McManus OB, Williams BS, Chruszcz M, Minor W, Patel MK, Brown ML.: Asymmetric synthesis and evaluation of a hydroxyphenylamide voltage-gated sodium channel blocker in human prostate cancer xenografts. Bioorg Med Chem, Volume 20 (6), 2012 Bioorg Med Chem 2012 22364743
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Davis OA, Cheung KJ, Brennan A, Lloyd MG, Rodrigues MJ,...
Davis OA, Cheung KJ, Brennan A, Lloyd MG, Rodrigues MJ, Pierrat OA, Collie GW, Le Bihan YV, Huckvale R, Harnden AC, Varela A, Bright MD, Eve P, Hayes A, Henley AT, Carter MD, McAndrew PC, Talbot R, Burke R, van Montfort RLM, Raynaud FI, Rossanese OW, Meniconi M, Bellenie BR, Hoelder S.
Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. Davis OA, Cheung KJ, Brennan A, Lloyd MG, Rodrigues MJ, Pierrat OA, Collie GW, Le Bihan YV, Huckvale R, Harnden AC, Varela A, Bright MD, Eve P, Hayes A, Henley AT, Carter MD, McAndrew PC, Talbot R, Burke R, van Montfort RLM, Raynaud FI, Rossanese OW, Meniconi M, Bellenie BR, Hoelder S.: Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J Med Chem, Volume 65 (12), 2022 J Med Chem 2022 35657291
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de Bruin G, Demont D, de Zwart E, Verkaik S, Hoogenboom N,...
de Bruin G, Demont D, de Zwart E, Verkaik S, Hoogenboom N, van de Kar B, van Lith B, Emmelot-van Hoek M, Gulrajani M, Covey T, Kaptein A, Barf T.
Discovery of quinoline-based irreversible BTK inhibitors. de Bruin G, Demont D, de Zwart E, Verkaik S, Hoogenboom N, van de Kar B, van Lith B, Emmelot-van Hoek M, Gulrajani M, Covey T, Kaptein A, Barf T.: Discovery of quinoline-based irreversible BTK inhibitors. Bioorg Med Chem Lett, Volume 30 (14), 2020 Bioorg Med Chem Lett 2020 32527559
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De Bruyn T, van Westen GJ, Ijzerman AP, Stieger B, de Witte...
De Bruyn T, van Westen GJ, Ijzerman AP, Stieger B, de Witte P, Augustijns PF, Annaert PP.
Structure-based identification of OATP1B1/3 inhibitors. De Bruyn T, van Westen GJ, Ijzerman AP, Stieger B, de Witte P, Augustijns PF, Annaert PP.: Structure-based identification of OATP1B1/3 inhibitors. Mol Pharmacol, Volume 83 (6), 2013 Mol Pharmacol 2013 23571415
Total substances: 61
Total passive interactions: 0
Total active interactions: 67
de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR,...
de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.
Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position... de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013 J Med Chem 2013 24102612
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De Fusco C, Schimpl M, Börjesson U, Cheung T, Collie I,...
De Fusco C, Schimpl M, Börjesson U, Cheung T, Collie I, Evans L, Narasimhan P, Stubbs C, Vazquez-Chantada M, Wagner DJ, Grondine M, Sanders MG, Tentarelli S, Underwood E, Argyrou A, Smith JM, Lynch JT, Chiarparin E, Robb G, Bagal SK, Scott JS.
Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. De Fusco C, Schimpl M, Börjesson U, Cheung T, Collie I, Evans L, Narasimhan P, Stubbs C, Vazquez-Chantada M, Wagner DJ, Grondine M, Sanders MG, Tentarelli S, Underwood E, Argyrou A, Smith JM, Lynch JT, Chiarparin E, Robb G, Bagal SK, Scott JS.: Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J Med Chem, Volume 64 (10), 2021 J Med Chem 2021 33900758
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de Graaf W, Häusler S, Heger M, van Ginhoven TM, van...
de Graaf W, Häusler S, Heger M, van Ginhoven TM, van Cappellen G, Bennink RJ, Kullak-Ublick GA, Hesselmann R, van Gulik TM, Stieger B.
Transporters involved in the hepatic uptake of (99m)Tc-mebrofenin and indocyanine green. de Graaf W, Häusler S, Heger M, van Ginhoven TM, van Cappellen G, Bennink RJ, Kullak-Ublick GA, Hesselmann R, van Gulik TM, Stieger B.: Transporters involved in the hepatic uptake of (99m)Tc-mebrofenin and indocyanine green. J Hepatol, Volume 54 (4), 2011 J Hepatol 2011 21163547
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
De Lucca GV, Kim UT, Vargo BJ, Duncia JV, Santella JB,...
De Lucca GV, Kim UT, Vargo BJ, Duncia JV, Santella JB, Gardner DS, Zheng C, Liauw A, Wang Z, Emmett G, Wacker DA, Welch PK, Covington M, Stowell NC, Wadman EA, Das AM, Davies P, Yeleswaram S, Graden DM, Solomon KA, Newton RC, Trainor GL, Decicco CP, Ko SS.
Discovery of CC chemokine receptor-3 (CCR3) antagonists with picomolar potency. De Lucca GV, Kim UT, Vargo BJ, Duncia JV, Santella JB, Gardner DS, Zheng C, Liauw A, Wang Z, Emmett G, Wacker DA, Welch PK, Covington M, Stowell NC, Wadman EA, Das AM, Davies P, Yeleswaram S, Graden DM, Solomon KA, Newton RC, Trainor GL, Decicco CP, Ko SS.: Discovery of CC chemokine receptor-3 (CCR3) antagonists with picomolar potency. J Med Chem, Volume 48 (6), 2005 J Med Chem 2005 15771462
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De Lucca GV, Shi Q, Liu Q, Batt DG, Beaudoin Bertrand M,...
De Lucca GV, Shi Q, Liu Q, Batt DG, Beaudoin Bertrand M, Rampulla R, Mathur A, Discenza L, D'Arienzo C, Dai J, Obermeier M, Vickery R, Zhang Y, Yang Z, Marathe P, Tebben AJ, Muckelbauer JK, Chang CJ, Zhang H, Gillooly K, Taylor T, Pattoli MA, Skala S, Kukral DW, McIntyre KW, Salter-Cid L, Fura A, Burke JR, Barrish JC, Carter PH, Tino JA.
Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the... De Lucca GV, Shi Q, Liu Q, Batt DG, Beaudoin Bertrand M, Rampulla R, Mathur A, Discenza L, D'Arienzo C, Dai J, Obermeier M, Vickery R, Zhang Y, Yang Z, Marathe P, Tebben AJ, Muckelbauer JK, Chang CJ, Zhang H, Gillooly K, Taylor T, Pattoli MA, Skala S, Kukral DW, McIntyre KW, Salter-Cid L, Fura A, Burke JR, Barrish JC, Carter PH, Tino JA.: Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177). J Med Chem, Volume 59 (17), 2016 J Med Chem 2016 27531604
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de Matos AM, Blázquez-Sánchez MT, Bento-Oliveira A, de...
de Matos AM, Blázquez-Sánchez MT, Bento-Oliveira A, de Almeida RFM, Nunes R, Lopes PEM, Machuqueiro M, Cristóvão JS, Gomes CM, Souza CS, El Idrissi IG, Colabufo NA, Diniz A, Marcelo F, Oliveira MC, Oliveira MC, López Ó, Fernandez-Bolaños JG, Dätwyler P, Ernst B, Ning K, Garwood C, Chen B, Rauter AP.
Glucosylpolyphenols as Inhibitors of Aβ-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane... de Matos AM, Blázquez-Sánchez MT, Bento-Oliveira A, de Almeida RFM, Nunes R, Lopes PEM, Machuqueiro M, Cristóvão JS, Gomes CM, Souza CS, El Idrissi IG, Colabufo NA, Diniz A, Marcelo F, Oliveira MC, Oliveira MC, López Ó, Fernandez-Bolaños JG, Dätwyler P, Ernst B, Ning K, Garwood C, Chen B, Rauter AP.: Glucosylpolyphenols as Inhibitors of Aβ-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane Permeability, and Exploratory Target Assessment within the Scope of Type 2 Diabetes and Alzheimer's Disease. J Med Chem, Volume 63 (20), 2020 J Med Chem 2020 32959649
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De Munari S, Barassi P, Cerri A, Fedrizzi G, Gobbini M,...
De Munari S, Barassi P, Cerri A, Fedrizzi G, Gobbini M, Mabilia M, Melloni P.
A new approach to the design of novel inhibitors of Na+,K+-ATPase: 17alpha-substituted seco-D 5beta-androstane as... De Munari S, Barassi P, Cerri A, Fedrizzi G, Gobbini M, Mabilia M, Melloni P.: A new approach to the design of novel inhibitors of Na+,K+-ATPase: 17alpha-substituted seco-D 5beta-androstane as cassaine analogues. J Med Chem, Volume 41 (16), 1998 J Med Chem 1998 9685243
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
De Munari S, Cerri A, Gobbini M, Almirante N, Banfi L,...
De Munari S, Cerri A, Gobbini M, Almirante N, Banfi L, Carzana G, Ferrari P, Marazzi G, Micheletti R, Schiavone A, Sputore S, Torri M, Zappavigna MP, Melloni P.
Structure-based design and synthesis of novel potent Na+,K+ -ATPase inhibitors derived from a 5alpha,14alpha-androstane... De Munari S, Cerri A, Gobbini M, Almirante N, Banfi L, Carzana G, Ferrari P, Marazzi G, Micheletti R, Schiavone A, Sputore S, Torri M, Zappavigna MP, Melloni P.: Structure-based design and synthesis of novel potent Na+,K+ -ATPase inhibitors derived from a 5alpha,14alpha-androstane scaffold as positive inotropic compounds. J Med Chem, Volume 46 (17), 2003 J Med Chem 2003 12904068
Total substances: 4
Total passive interactions: 0
Total active interactions: 12
De Savi C, Morley AD, Nash I, Karoutchi G, Page K, Ting A,...
De Savi C, Morley AD, Nash I, Karoutchi G, Page K, Ting A, Gerhardt S.
Lead optimisation of selective non-zinc binding inhibitors of MMP13. Part 2. De Savi C, Morley AD, Nash I, Karoutchi G, Page K, Ting A, Gerhardt S.: Lead optimisation of selective non-zinc binding inhibitors of MMP13. Part 2. Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22153941
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De Savi C, Pape A, Sawyer Y, Milne D, Davies C, Cumming JG,...
De Savi C, Pape A, Sawyer Y, Milne D, Davies C, Cumming JG, Ting A, Lamont S, Smith PD, Tart J, Page K, Moore P.
Orally active achiral N-hydroxyformamide inhibitors of ADAM-TS4 (aggrecanase-1) and ADAM-TS5 (aggrecanase-2) for the... De Savi C, Pape A, Sawyer Y, Milne D, Davies C, Cumming JG, Ting A, Lamont S, Smith PD, Tart J, Page K, Moore P.: Orally active achiral N-hydroxyformamide inhibitors of ADAM-TS4 (aggrecanase-1) and ADAM-TS5 (aggrecanase-2) for the treatment of osteoarthritis. Bioorg Med Chem Lett, Volume 21 (11), 2011 Bioorg Med Chem Lett 2011 21536437
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De Savi C, Waterson D, Pape A, Lamont S, Hadley E, Mills M,...
De Savi C, Waterson D, Pape A, Lamont S, Hadley E, Mills M, Page KM, Bowyer J, Maciewicz RA.
Hydantoin based inhibitors of MMP13--discovery of AZD6605. De Savi C, Waterson D, Pape A, Lamont S, Hadley E, Mills M, Page KM, Bowyer J, Maciewicz RA.: Hydantoin based inhibitors of MMP13--discovery of AZD6605. Bioorg Med Chem Lett, Volume 23 (16), 2013 Bioorg Med Chem Lett 2013 23810497
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De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen...
De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.
Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017 Eur J Med Chem 2017 28810189
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De Tran Q, Bepary S, Lee GH, Cho H, Park WK, Lim HJ.
De Tran Q, Bepary S, Lee GH, Cho H, Park WK, Lim HJ.
Synthesis of (3S,4S)-4-aminopyrrolidine-3-ol derivatives and biological evaluation for their BACE1 inhibitory... De Tran Q, Bepary S, Lee GH, Cho H, Park WK, Lim HJ.: Synthesis of (3S,4S)-4-aminopyrrolidine-3-ol derivatives and biological evaluation for their BACE1 inhibitory activities. Bioorg Med Chem Lett, Volume 26 (1), 2016 Bioorg Med Chem Lett 2016 26608551
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de Vicente J, Hendricks RT, Smith DB, Fell JB, Fischer J,...
de Vicente J, Hendricks RT, Smith DB, Fell JB, Fischer J, Spencer SR, Stengel PJ, Mohr P, Robinson JE, Blake JF, Hilgenkamp RK, Yee C, Zhao J, Elworthy TR, Tracy J, Chin E, Li J, Lui A, Wang B, Oshiro C, Harris SF, Ghate M, Leveque VJ, Najera I, Le Pogam S, Rajyaguru S, Ao-Ieong G, Alexandrova L, Fitch B, Brandl M, Masjedizadeh M, Wu SY, de Keczer S, Voronin T.
Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of... de Vicente J, Hendricks RT, Smith DB, Fell JB, Fischer J, Spencer SR, Stengel PJ, Mohr P, Robinson JE, Blake JF, Hilgenkamp RK, Yee C, Zhao J, Elworthy TR, Tracy J, Chin E, Li J, Lui A, Wang B, Oshiro C, Harris SF, Ghate M, Leveque VJ, Najera I, Le Pogam S, Rajyaguru S, Ao-Ieong G, Alexandrova L, Fitch B, Brandl M, Masjedizadeh M, Wu SY, de Keczer S, Voronin T.: Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids. Bioorg Med Chem Lett, Volume 19 (19), 2009 Bioorg Med Chem Lett 2009 19700319
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de Waart DR, van de Wetering K, Kunne C, Duijst S, Paulusma...
de Waart DR, van de Wetering K, Kunne C, Duijst S, Paulusma CC, Oude Elferink RP.
Oral availability of cefadroxil depends on ABCC3 and ABCC4. de Waart DR, van de Wetering K, Kunne C, Duijst S, Paulusma CC, Oude Elferink RP.: Oral availability of cefadroxil depends on ABCC3 and ABCC4. Drug Metab Dispos, Volume 40 (3), 2012 Drug Metab Dispos 2012 22166395
Total substances: 3
Total passive interactions: 0
Total active interactions: 5
Deaton DN, Do Y, Holt J, Jeune MR, Kramer HF, Larkin AL,...
Deaton DN, Do Y, Holt J, Jeune MR, Kramer HF, Larkin AL, Orband-Miller LA, Peckham GE, Poole C, Price DJ, Schaller LT, Shen Y, Shewchuk LM, Stewart EL, Stuart JD, Thomson SA, Ward P, Wilson JW, Xu T, Guss JH, Musetti C, Rendina AR, Affleck K, Anders D, Hancock AP, Hobbs H, Hodgson ST, Hutchinson J, Leveridge MV, Nicholls H, Smith IED, Somers DO, Sneddon HF, Uddin S, Cleasby A, Mortenson PN, Richardson C, Saxty G.
The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors. Deaton DN, Do Y, Holt J, Jeune MR, Kramer HF, Larkin AL, Orband-Miller LA, Peckham GE, Poole C, Price DJ, Schaller LT, Shen Y, Shewchuk LM, Stewart EL, Stuart JD, Thomson SA, Ward P, Wilson JW, Xu T, Guss JH, Musetti C, Rendina AR, Affleck K, Anders D, Hancock AP, Hobbs H, Hodgson ST, Hutchinson J, Leveridge MV, Nicholls H, Smith IED, Somers DO, Sneddon HF, Uddin S, Cleasby A, Mortenson PN, Richardson C, Saxty G.: The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors. Bioorg Med Chem, Volume 27 (8), 2019 Bioorg Med Chem 2019 30858025
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Deaton DN, Graham KP, Gross JW, Miller AB.
Deaton DN, Graham KP, Gross JW, Miller AB.
Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008 Bioorg Med Chem Lett 2008 18243695
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Deaton DN, Haffner CD, Henke BR, Jeune MR, Shearer BG,...
Deaton DN, Haffner CD, Henke BR, Jeune MR, Shearer BG, Stewart EL, Stuart JD, Ulrich JC.
2,4-Diamino-8-quinazoline carboxamides as novel, potent inhibitors of the NAD hydrolyzing enzyme CD38: Exploration of... Deaton DN, Haffner CD, Henke BR, Jeune MR, Shearer BG, Stewart EL, Stuart JD, Ulrich JC.: 2,4-Diamino-8-quinazoline carboxamides as novel, potent inhibitors of the NAD hydrolyzing enzyme CD38: Exploration of the 2-position structure-activity relationships. Bioorg Med Chem, Volume 26 (8), 2018 Bioorg Med Chem 2018 29576271
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Décor A, Grand-Maître C, Hucke O, O'Meara J, Kuhn C,...
Décor A, Grand-Maître C, Hucke O, O'Meara J, Kuhn C, Constantineau-Forget L, Brochu C, Malenfant E, Bertrand-Laperle M, Bordeleau J, Ghiro E, Pesant M, Fazal G, Gorys V, Little M, Boucher C, Bordeleau S, Turcotte P, Guo T, Garneau M, Spickler C, Gauthier A.
Design, synthesis and biological evaluation of novel aminothiazoles as antiviral compounds acting against human... Décor A, Grand-Maître C, Hucke O, O'Meara J, Kuhn C, Constantineau-Forget L, Brochu C, Malenfant E, Bertrand-Laperle M, Bordeleau J, Ghiro E, Pesant M, Fazal G, Gorys V, Little M, Boucher C, Bordeleau S, Turcotte P, Guo T, Garneau M, Spickler C, Gauthier A.: Design, synthesis and biological evaluation of novel aminothiazoles as antiviral compounds acting against human rhinovirus. Bioorg Med Chem Lett, Volume 23 (13), 2013 Bioorg Med Chem Lett 2013 23726345
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Deddouche-Grass S, Andouche C, Bärenz F, Halter C, Hohwald...
Deddouche-Grass S, Andouche C, Bärenz F, Halter C, Hohwald A, Lebrun L, Membré N, Morales R, Muzet N, Poirot M, Reynaud M, Roujean V, Weber F, Zimmermann A, Heng R, Basse N.
Discovery and Optimization of a Series of Benzofuran Selective ERAP1 Inhibitors: Biochemical and In Silico... Deddouche-Grass S, Andouche C, Bärenz F, Halter C, Hohwald A, Lebrun L, Membré N, Morales R, Muzet N, Poirot M, Reynaud M, Roujean V, Weber F, Zimmermann A, Heng R, Basse N.: Discovery and Optimization of a Series of Benzofuran Selective ERAP1 Inhibitors: Biochemical and In Silico Studies. ACS Med Chem Lett, Volume 12 (7), 2021 ACS Med Chem Lett 2021 34267884
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Defaux J, Antoine M, Logé C, Le Borgne M, Schuster T,...
Defaux J, Antoine M, Logé C, Le Borgne M, Schuster T, Seipelt I, Aicher B, Teifel M, Günther E, Gerlach M, Marchand P.
Discovery of (7-aryl-1,5-naphthyridin-2-yl)ureas as dual inhibitors of ERK2 and Aurora B kinases with antiproliferative... Defaux J, Antoine M, Logé C, Le Borgne M, Schuster T, Seipelt I, Aicher B, Teifel M, Günther E, Gerlach M, Marchand P.: Discovery of (7-aryl-1,5-naphthyridin-2-yl)ureas as dual inhibitors of ERK2 and Aurora B kinases with antiproliferative activity against cancer cells. Bioorg Med Chem Lett, Volume 24 (16), 2014 Bioorg Med Chem Lett 2014 25022204
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DeGoey DA, Chen HJ, Cox PB, Wendt MD.
DeGoey DA, Chen HJ, Cox PB, Wendt MD.
Beyond the Rule of 5: Lessons Learned from AbbVie's Drugs and Compound Collection. DeGoey DA, Chen HJ, Cox PB, Wendt MD.: Beyond the Rule of 5: Lessons Learned from AbbVie's Drugs and Compound Collection. J Med Chem, Volume 61 (7), 2018 J Med Chem 2018 28926247
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Degorce SL, Anjum R, Bloecher A, Carbajo RJ, Dillman KS,...
Degorce SL, Anjum R, Bloecher A, Carbajo RJ, Dillman KS, Drew L, Halsall CT, Lenz EM, Lindsay NA, Mayo MF, Pink JH, Robb GR, Rosen A, Scott JS, Xue Y.
Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265P... Degorce SL, Anjum R, Bloecher A, Carbajo RJ, Dillman KS, Drew L, Halsall CT, Lenz EM, Lindsay NA, Mayo MF, Pink JH, Robb GR, Rosen A, Scott JS, Xue Y.: Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265P Mutant Diffuse Large B Cell Lymphoma. J Med Chem, Volume 62 (21), 2019 J Med Chem 2019 31622099
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Degorce SL, Anjum R, Dillman KS, Drew L, Groombridge SD,...
Degorce SL, Anjum R, Dillman KS, Drew L, Groombridge SD, Halsall CT, Lenz EM, Lindsay NA, Mayo MF, Pink JH, Robb GR, Scott JS, Stokes S, Xue Y.
Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4. Degorce SL, Anjum R, Dillman KS, Drew L, Groombridge SD, Halsall CT, Lenz EM, Lindsay NA, Mayo MF, Pink JH, Robb GR, Scott JS, Stokes S, Xue Y.: Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4. Bioorg Med Chem, Volume 26 (4), 2018 Bioorg Med Chem 2018 29398441
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Degorce SL, Bailey A, Callis R, De Savi C, Ducray R, Lamont...
Degorce SL, Bailey A, Callis R, De Savi C, Ducray R, Lamont G, MacFaul P, Maudet M, Martin S, Morgentin R, Norman RA, Peru A, Pink JH, Plé PA, Roberts B, Scott JS.
Investigation of (E)-3-[4-(2-Oxo-3-aryl-chromen-4-yl)oxyphenyl]acrylic Acids as Oral Selective Estrogen Receptor... Degorce SL, Bailey A, Callis R, De Savi C, Ducray R, Lamont G, MacFaul P, Maudet M, Martin S, Morgentin R, Norman RA, Peru A, Pink JH, Plé PA, Roberts B, Scott JS.: Investigation of (E)-3-[4-(2-Oxo-3-aryl-chromen-4-yl)oxyphenyl]acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators. J Med Chem, Volume 58 (8), 2015 J Med Chem 2015 25790336
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Degorce SL, Barlaam B, Cadogan E, Dishington A, Ducray R,...
Degorce SL, Barlaam B, Cadogan E, Dishington A, Ducray R, Glossop SC, Hassall LA, Lach F, Lau A, McGuire TM, Nowak T, Ouvry G, Pike KG, Thomason AG.
Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective, and Orally Bioavailable Inhibitors of Ataxia... Degorce SL, Barlaam B, Cadogan E, Dishington A, Ducray R, Glossop SC, Hassall LA, Lach F, Lau A, McGuire TM, Nowak T, Ouvry G, Pike KG, Thomason AG.: Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective, and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (ATM) Kinase. J Med Chem, Volume 59 (13), 2016 J Med Chem 2016 27259031
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Degorce SL, Bodnarchuk MS, Cumming IA, Scott JS.
Degorce SL, Bodnarchuk MS, Cumming IA, Scott JS.
Lowering Lipophilicity by Adding Carbon: One-Carbon Bridges of Morpholines and Piperazines. Degorce SL, Bodnarchuk MS, Cumming IA, Scott JS.: Lowering Lipophilicity by Adding Carbon: One-Carbon Bridges of Morpholines and Piperazines. J Med Chem, Volume 61 (19), 2018 J Med Chem 2018 30189136
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Degorce SL, Bodnarchuk MS, Scott JS.
Degorce SL, Bodnarchuk MS, Scott JS.
Lowering Lipophilicity by Adding Carbon: AzaSpiroHeptanes, a logD Lowering Twist. Degorce SL, Bodnarchuk MS, Scott JS.: Lowering Lipophilicity by Adding Carbon: AzaSpiroHeptanes, a logD Lowering Twist. ACS Med Chem Lett, Volume 10 (8), 2019 ACS Med Chem Lett 2019 31417667
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Degorce SL, Tavana O, Banks E, Crafter C, Gingipalli L,...
Degorce SL, Tavana O, Banks E, Crafter C, Gingipalli L, Kouvchinov D, Mao Y, Pachl F, Solanki A, Valge-Archer V, Yang B, Edmondson SD.
Discovery of Proteolysis-Targeting Chimera Molecules that Selectively Degrade the IRAK3 Pseudokinase. Degorce SL, Tavana O, Banks E, Crafter C, Gingipalli L, Kouvchinov D, Mao Y, Pachl F, Solanki A, Valge-Archer V, Yang B, Edmondson SD.: Discovery of Proteolysis-Targeting Chimera Molecules that Selectively Degrade the IRAK3 Pseudokinase. J Med Chem, Volume 63 (18), 2020 J Med Chem 2020 32803978
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Deguchi T, Kusuhara H, Takadate A, Endou H, Otagiri M,...
Deguchi T, Kusuhara H, Takadate A, Endou H, Otagiri M, Sugiyama Y.
Characterization of uremic toxin transport by organic anion transporters in the kidney. Deguchi T, Kusuhara H, Takadate A, Endou H, Otagiri M, Sugiyama Y.: Characterization of uremic toxin transport by organic anion transporters in the kidney. Kidney Int, Volume 65 (1), 2004 Kidney Int 2004 14675047
Total substances: 3
Total passive interactions: 0
Total active interactions: 6
Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S,...
Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.
Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor... Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010 J Med Chem 2010 20025292
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Dei S, Romanelli MN, Scapecchi S, Teodori E, Gualtieri F,...
Dei S, Romanelli MN, Scapecchi S, Teodori E, Gualtieri F, Chiarini A, Voigt W, Lemoine H.
Verapamil analogues with restricted molecular flexibility: synthesis and pharmacological evaluation of the four isomers... Dei S, Romanelli MN, Scapecchi S, Teodori E, Gualtieri F, Chiarini A, Voigt W, Lemoine H.: Verapamil analogues with restricted molecular flexibility: synthesis and pharmacological evaluation of the four isomers of alpha-[1-[3-[N-[1- [2-(3,4-dimethoxyphenyl)ethyl]]-N-methylamino]cyclohexyl]]-alpha- isopropyl-3,4-dimethoxybenzene-acetonitrile. J Med Chem, Volume 36 (4), 1993 J Med Chem 1993 8474099
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Del Bello F, Farande A, Giannella M, Piergentili A, Quaglia...
Del Bello F, Farande A, Giannella M, Piergentili A, Quaglia W, Benicchi T, Cappelli F, Nencini A, Salerno M, Thomas RJ, Travagli M, Varrone M.
Identification of 2-aminopyrimidine derivatives as inhibitors of the canonical Wnt signaling pathway. Del Bello F, Farande A, Giannella M, Piergentili A, Quaglia W, Benicchi T, Cappelli F, Nencini A, Salerno M, Thomas RJ, Travagli M, Varrone M.: Identification of 2-aminopyrimidine derivatives as inhibitors of the canonical Wnt signaling pathway. Bioorg Med Chem, Volume 23 (17), 2015 Bioorg Med Chem 2015 26233797
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Del Bello F, Sakloth F, Partilla JS, Baumann MH, Glennon RA.
Del Bello F, Sakloth F, Partilla JS, Baumann MH, Glennon RA.
Ethylenedioxy homologs of N-methyl-(3,4-methylenedioxyphenyl)-2-aminopropane (MDMA) and its corresponding cathinone... Del Bello F, Sakloth F, Partilla JS, Baumann MH, Glennon RA.: Ethylenedioxy homologs of N-methyl-(3,4-methylenedioxyphenyl)-2-aminopropane (MDMA) and its corresponding cathinone analog methylenedioxymethcathinone: Interactions with transporters for serotonin, dopamine, and norepinephrine. Bioorg Med Chem, Volume 23 (17), 2015 Bioorg Med Chem 2015 26233799
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Dembitsky VM.
Dembitsky VM.
Bioactive peroxides as potential therapeutic agents. Dembitsky VM.: Bioactive peroxides as potential therapeutic agents. Eur J Med Chem, Volume 43 (2), 2008 Eur J Med Chem 2008 17618015
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.:
Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.:
Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes Demchenko A.P., Mely Y., Duportail G., Klymchenko A.S.: Monitoring Biophysical Properties of Lipid Membranes by Environment-Sensitive Fluorescent Probes. Biophys. J., 96, 3461, 2009. Biophys. J. 2009 19413953
Total substances: 7
Total passive interactions: 7
Total active interactions: 0
Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C,...
Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.
The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009 Bioorg Med Chem Lett 2009 19339180
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Denonne F, Binet S, Burton M, Collart P, Defays S, Dipesa...
Denonne F, Binet S, Burton M, Collart P, Defays S, Dipesa A, Eckert M, Giannaras A, Kumar S, Levine B, Nicolas JM, Pasau P, Pégurier C, Preda D, Van houtvin N, Volosov A, Zou D.
Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives. Denonne F, Binet S, Burton M, Collart P, Defays S, Dipesa A, Eckert M, Giannaras A, Kumar S, Levine B, Nicolas JM, Pasau P, Pégurier C, Preda D, Van houtvin N, Volosov A, Zou D.: Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives. Bioorg Med Chem Lett, Volume 17 (12), 2007 Bioorg Med Chem Lett 2007 17459702
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Denonne F, Binet S, Burton M, Collart P, Dipesa A, Ganguly...
Denonne F, Binet S, Burton M, Collart P, Dipesa A, Ganguly T, Giannaras A, Kumar S, Lewis T, Maounis F, Nicolas JM, Mansley T, Pasau P, Preda D, Stebbins K, Volosov A, Zou D.
Discovery of new C3aR ligands. Part 1: arginine derivatives. Denonne F, Binet S, Burton M, Collart P, Dipesa A, Ganguly T, Giannaras A, Kumar S, Lewis T, Maounis F, Nicolas JM, Mansley T, Pasau P, Preda D, Stebbins K, Volosov A, Zou D.: Discovery of new C3aR ligands. Part 1: arginine derivatives. Bioorg Med Chem Lett, Volume 17 (12), 2007 Bioorg Med Chem Lett 2007 17467987
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DeSelm L, Huck B, Lan R, Neagu C, Potnick J, Xiao Y, Chen...
DeSelm L, Huck B, Lan R, Neagu C, Potnick J, Xiao Y, Chen X, Jones R, Richardson TE, Heasley BH, Haxell T, Moore J, Tian H, Georgi K, Rohdich F, Sutton A, Johnson T, Mochalkin I, Jackson J, Lin J, Crowley L, Machl A, Clark A, Wilker E, Sherer B, Goutopoulos A.
Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered... DeSelm L, Huck B, Lan R, Neagu C, Potnick J, Xiao Y, Chen X, Jones R, Richardson TE, Heasley BH, Haxell T, Moore J, Tian H, Georgi K, Rohdich F, Sutton A, Johnson T, Mochalkin I, Jackson J, Lin J, Crowley L, Machl A, Clark A, Wilker E, Sherer B, Goutopoulos A.: Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J Med Chem, Volume 64 (19), 2021 J Med Chem 2021 34596404
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Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J,...
Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.
N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted... Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007 Bioorg Med Chem Lett 2007 17562362
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Devadas B, Selness SR, Xing L, Madsen HM, Marrufo LD, Shieh...
Devadas B, Selness SR, Xing L, Madsen HM, Marrufo LD, Shieh H, Messing DM, Yang JZ, Morgan HM, Anderson GD, Webb EG, Zhang J, Devraj RV, Monahan JB.
Substituted N-aryl-6-pyrimidinones: a new class of potent, selective, and orally active p38 MAP kinase inhibitors. Devadas B, Selness SR, Xing L, Madsen HM, Marrufo LD, Shieh H, Messing DM, Yang JZ, Morgan HM, Anderson GD, Webb EG, Zhang J, Devraj RV, Monahan JB.: Substituted N-aryl-6-pyrimidinones: a new class of potent, selective, and orally active p38 MAP kinase inhibitors. Bioorg Med Chem Lett, Volume 21 (13), 2011 Bioorg Med Chem Lett 2011 21620699
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Devasthale P, Wang Y, Wang W, Fevig J, Feng J, Wang A,...
Devasthale P, Wang Y, Wang W, Fevig J, Feng J, Wang A, Harrity T, Egan D, Morgan N, Cap M, Fura A, Klei HE, Kish K, Weigelt C, Sun L, Levesque P, Moulin F, Li YX, Zahler R, Kirby MS, Hamann LG.
Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to... Devasthale P, Wang Y, Wang W, Fevig J, Feng J, Wang A, Harrity T, Egan D, Morgan N, Cap M, Fura A, Klei HE, Kish K, Weigelt C, Sun L, Levesque P, Moulin F, Li YX, Zahler R, Kirby MS, Hamann LG.: Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J Med Chem, Volume 56 (18), 2013 J Med Chem 2013 23964740
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Devasthale PV, Chen S, Jeon Y, Qu F, Ryono DE, Wang W,...
Devasthale PV, Chen S, Jeon Y, Qu F, Ryono DE, Wang W, Zhang H, Cheng L, Farrelly D, Golla R, Grover G, Ma Z, Moore L, Seethala R, Sun W, Doweyko AM, Chandrasena G, Sleph P, Hariharan N, Cheng PT.
Discovery of tertiary aminoacids as dual PPARalpha/gamma agonists-I. Devasthale PV, Chen S, Jeon Y, Qu F, Ryono DE, Wang W, Zhang H, Cheng L, Farrelly D, Golla R, Grover G, Ma Z, Moore L, Seethala R, Sun W, Doweyko AM, Chandrasena G, Sleph P, Hariharan N, Cheng PT.: Discovery of tertiary aminoacids as dual PPARalpha/gamma agonists-I. Bioorg Med Chem Lett, Volume 17 (8), 2007 Bioorg Med Chem Lett 2007 17292606
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Dexheimer TS, Rosenthal AS, Luci DK, Liang Q, Villamil MA,...
Dexheimer TS, Rosenthal AS, Luci DK, Liang Q, Villamil MA, Chen J, Sun H, Kerns EH, Simeonov A, Jadhav A, Zhuang Z, Maloney DJ.
Synthesis and structure-activity relationship studies of N-benzyl-2-phenylpyrimidin-4-amine derivatives as potent... Dexheimer TS, Rosenthal AS, Luci DK, Liang Q, Villamil MA, Chen J, Sun H, Kerns EH, Simeonov A, Jadhav A, Zhuang Z, Maloney DJ.: Synthesis and structure-activity relationship studies of N-benzyl-2-phenylpyrimidin-4-amine derivatives as potent USP1/UAF1 deubiquitinase inhibitors with anticancer activity against nonsmall cell lung cancer. J Med Chem, Volume 57 (19), 2014 J Med Chem 2014 25229643
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Dey S, Ramachandra M, Pastan I, Gottesman MM, Ambudkar SV.
Dey S, Ramachandra M, Pastan I, Gottesman MM, Ambudkar SV.
Evidence for two nonidentical drug-interaction sites in the human P-glycoprotein. Dey S, Ramachandra M, Pastan I, Gottesman MM, Ambudkar SV.: Evidence for two nonidentical drug-interaction sites in the human P-glycoprotein. Proc Natl Acad Sci U S A, Volume 94 (20), 1997 Proc Natl Acad Sci U S A 1997 9380680
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Dgachi Y, Sokolov O, Luzet V, Godyń J, Panek D, Bonet A,...
Dgachi Y, Sokolov O, Luzet V, Godyń J, Panek D, Bonet A, Martin H, Iriepa I, Moraleda I, García-Iriepa C, Janockova J, Richert L, Soukup O, Malawska B, Chabchoub F, Marco-Contelles J, Ismaili L.
Tetrahydropyranodiquinolin-8-amines as new, non hepatotoxic, antioxidant, and acetylcholinesterase inhibitors for... Dgachi Y, Sokolov O, Luzet V, Godyń J, Panek D, Bonet A, Martin H, Iriepa I, Moraleda I, García-Iriepa C, Janockova J, Richert L, Soukup O, Malawska B, Chabchoub F, Marco-Contelles J, Ismaili L.: Tetrahydropyranodiquinolin-8-amines as new, non hepatotoxic, antioxidant, and acetylcholinesterase inhibitors for Alzheimer's disease therapy. Eur J Med Chem, Volume 126, 2017 Eur J Med Chem 2017 27918993
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Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L,...
Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.
Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive... Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014 J Med Chem 2014 24735492
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Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A,...
Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.
Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric... Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011 J Med Chem 2011 21155570
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Dhar TG, Borden LA, Tyagarajan S, Smith KE, Branchek TA,...
Dhar TG, Borden LA, Tyagarajan S, Smith KE, Branchek TA, Weinshank RL, Gluchowski C.
Design, synthesis and evaluation of substituted triarylnipecotic acid derivatives as GABA uptake inhibitors:... Dhar TG, Borden LA, Tyagarajan S, Smith KE, Branchek TA, Weinshank RL, Gluchowski C.: Design, synthesis and evaluation of substituted triarylnipecotic acid derivatives as GABA uptake inhibitors: identification of a ligand with moderate affinity and selectivity for the cloned human GABA transporter GAT-3. J Med Chem, Volume 37 (15), 1994 J Med Chem 1994 8057281
Total substances: 6
Total passive interactions: 0
Total active interactions: 8
Di Fruscia P, Edfeldt F, Shamovsky I, Collie GW, Aagaard A,...
Di Fruscia P, Edfeldt F, Shamovsky I, Collie GW, Aagaard A, Barlind L, Börjesson U, Hansson EL, Lewis RJ, Nilsson MK, Öster L, Pemberton J, Ripa L, Storer RI, Käck H.
Fragment-Based Discovery of Novel Allosteric MEK1 Binders. Di Fruscia P, Edfeldt F, Shamovsky I, Collie GW, Aagaard A, Barlind L, Börjesson U, Hansson EL, Lewis RJ, Nilsson MK, Öster L, Pemberton J, Ripa L, Storer RI, Käck H.: Fragment-Based Discovery of Novel Allosteric MEK1 Binders. ACS Med Chem Lett, Volume 12 (2), 2021 ACS Med Chem Lett 2021 33603979
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Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.
Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.
Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. Di L, Kerns EH, Bezar IF, Petusky SL, Huang Y.: Comparison of blood-brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB. J Pharm Sci, Volume 98 (6), 1980-1991, 2009 J Pharm Sci 2009 18837012
Total substances: 37
Total passive interactions: 37
Total active interactions: 0
Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.
Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.
High throughput artificial membrane permeability assay for blood-brain barrier. Di L, Kerns EH, Fan K, McConnell OJ, Carter GT.: High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem, Volume 38 (3), 223-232, 2003 Eur J Med Chem 2003 12667689
Total substances: 23
Total passive interactions: 23
Total active interactions: 0
Di Martino RM, De Simone A, Andrisano V, Bisignano P, Bisi...
Di Martino RM, De Simone A, Andrisano V, Bisignano P, Bisi A, Gobbi S, Rampa A, Fato R, Bergamini C, Perez DI, Martinez A, Bottegoni G, Cavalli A, Belluti F.
Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors. Di Martino RM, De Simone A, Andrisano V, Bisignano P, Bisi A, Gobbi S, Rampa A, Fato R, Bergamini C, Perez DI, Martinez A, Bottegoni G, Cavalli A, Belluti F.: Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors. J Med Chem, Volume 59 (2), 2016 J Med Chem 2016 26696252
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Di Pietro O, Alencar N, Esteban G, Viayna E, Szałaj N,...
Di Pietro O, Alencar N, Esteban G, Viayna E, Szałaj N, Vázquez J, Juárez-Jiménez J, Sola I, Pérez B, Solé M, Unzeta M, Muñoz-Torrero D, Luque FJ.
Design, synthesis and biological evaluation of N-methyl-N-[(1,2,3-triazol-4-yl)alkyl]propargylamines as novel monoamine... Di Pietro O, Alencar N, Esteban G, Viayna E, Szałaj N, Vázquez J, Juárez-Jiménez J, Sola I, Pérez B, Solé M, Unzeta M, Muñoz-Torrero D, Luque FJ.: Design, synthesis and biological evaluation of N-methyl-N-[(1,2,3-triazol-4-yl)alkyl]propargylamines as novel monoamine oxidase B inhibitors. Bioorg Med Chem, Volume 24 (20), 2016 Bioorg Med Chem 2016 27396685
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Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J,...
Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.
Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting... Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014 Eur J Med Chem 2014 25016233
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Di Pietro O, Viayna E, Vicente-García E, Bartolini M,...
Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.
1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of... Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014 Eur J Med Chem 2014 24389509
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Di Pietro O, Vicente-García E, Taylor MC, Berenguer D,...
Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.
Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with... Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015 Eur J Med Chem 2015 26479031
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Díaz JL, Christmann U, Fernández A, Torrens A, Port A,...
Díaz JL, Christmann U, Fernández A, Torrens A, Port A, Pascual R, Álvarez I, Burgueño J, Monroy X, Montero A, Balada A, Vela JM, Almansa C.
Synthesis and structure-activity relationship study of a new series of selective σ(1) receptor ligands for the... Díaz JL, Christmann U, Fernández A, Torrens A, Port A, Pascual R, Álvarez I, Burgueño J, Monroy X, Montero A, Balada A, Vela JM, Almansa C.: Synthesis and structure-activity relationship study of a new series of selective σ(1) receptor ligands for the treatment of pain: 4-aminotriazoles. J Med Chem, Volume 58 (5), 2015 J Med Chem 2015 25658964
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Díaz JL, Cuberes R, Berrocal J, Contijoch M, Christmann U,...
Díaz JL, Cuberes R, Berrocal J, Contijoch M, Christmann U, Fernández A, Port A, Holenz J, Buschmann H, Laggner C, Serafini MT, Burgueño J, Zamanillo D, Merlos M, Vela JM, Almansa C.
Synthesis and biological evaluation of the 1-arylpyrazole class of σ(1) receptor antagonists: identification of... Díaz JL, Cuberes R, Berrocal J, Contijoch M, Christmann U, Fernández A, Port A, Holenz J, Buschmann H, Laggner C, Serafini MT, Burgueño J, Zamanillo D, Merlos M, Vela JM, Almansa C.: Synthesis and biological evaluation of the 1-arylpyrazole class of σ(1) receptor antagonists: identification of 4-{2-[5-methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yloxy]ethyl}morpholine (S1RA, E-52862). J Med Chem, Volume 55 (19), 2012 J Med Chem 2012 22784008
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Dickens D, Owen A, Alfirevic A, Giannoudis A, Davies A,...
Dickens D, Owen A, Alfirevic A, Giannoudis A, Davies A, Weksler B, Romero IA, Couraud PO, Pirmohamed M.
Lamotrigine is a substrate for OCT1 in brain endothelial cells. Dickens D, Owen A, Alfirevic A, Giannoudis A, Davies A, Weksler B, Romero IA, Couraud PO, Pirmohamed M.: Lamotrigine is a substrate for OCT1 in brain endothelial cells. Biochem Pharmacol, Volume 83 (6), 2012 Biochem Pharmacol 2012 22227272
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Dickson CJ, Hornak V, Bednarczyk D, Duca JS.
Dickson CJ, Hornak V, Bednarczyk D, Duca JS.
Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. Dickson CJ, Hornak V, Bednarczyk D, Duca JS.: Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. J Chem Inf Model, Volume 59 (1), 236-244, 2019 J Chem Inf Model 2019 30540467
Total substances: 49
Total passive interactions: 49
Total active interactions: 0
Dickson CJ, Hornak V, Pearlstein RA, Duca JS.
Dickson CJ, Hornak V, Pearlstein RA, Duca JS.
Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. Dickson CJ, Hornak V, Pearlstein RA, Duca JS.: Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling. J Am Chem Soc, Volume 139 (1), 442-452, 2017 J Am Chem Soc 2017 27951634
Total substances: 7
Total passive interactions: 13
Total active interactions: 0
Digby EM, Ayan S, Shrestha P, Gehrmann EJ, Winter AH,...
Digby EM, Ayan S, Shrestha P, Gehrmann EJ, Winter AH, Beharry AA.
Photocaged DNA-Binding Photosensitizer Enables Photocontrol of Nuclear Entry for Dual-Targeted Photodynamic Therapy. Digby EM, Ayan S, Shrestha P, Gehrmann EJ, Winter AH, Beharry AA.: Photocaged DNA-Binding Photosensitizer Enables Photocontrol of Nuclear Entry for Dual-Targeted Photodynamic Therapy. J Med Chem, Volume 65 (24), 2022 J Med Chem 2022 36480920
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Dighe SN, Deora GS, De la Mora E, Nachon F, Chan S, Parat...
Dighe SN, Deora GS, De la Mora E, Nachon F, Chan S, Parat MO, Brazzolotto X, Ross BP.
Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based... Dighe SN, Deora GS, De la Mora E, Nachon F, Chan S, Parat MO, Brazzolotto X, Ross BP.: Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening. J Med Chem, Volume 59 (16), 2016 J Med Chem 2016 27405689
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DiMauro EF, Altmann S, Berry LM, Bregman H, Chakka N,...
DiMauro EF, Altmann S, Berry LM, Bregman H, Chakka N, Chu-Moyer M, Bojic EF, Foti RS, Fremeau R, Gao H, Gunaydin H, Guzman-Perez A, Hall BE, Huang H, Jarosh M, Kornecook T, Lee J, Ligutti J, Liu D, Moyer BD, Ortuno D, Rose PE, Schenkel LB, Taborn K, Wang J, Wang Y, Yu V, Weiss MM.
Application of a Parallel Synthetic Strategy in the Discovery of Biaryl Acyl Sulfonamides as Efficient and Selective... DiMauro EF, Altmann S, Berry LM, Bregman H, Chakka N, Chu-Moyer M, Bojic EF, Foti RS, Fremeau R, Gao H, Gunaydin H, Guzman-Perez A, Hall BE, Huang H, Jarosh M, Kornecook T, Lee J, Ligutti J, Liu D, Moyer BD, Ortuno D, Rose PE, Schenkel LB, Taborn K, Wang J, Wang Y, Yu V, Weiss MM.: Application of a Parallel Synthetic Strategy in the Discovery of Biaryl Acyl Sulfonamides as Efficient and Selective NaV1.7 Inhibitors. J Med Chem, Volume 59 (17), 2016 J Med Chem 2016 27441383
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DiMauro EF, Buchanan JL, Cheng A, Emkey R, Hitchcock SA,...
DiMauro EF, Buchanan JL, Cheng A, Emkey R, Hitchcock SA, Huang L, Huang MY, Janosky B, Lee JH, Li X, Martin MW, Tomlinson SA, White RD, Zheng XM, Patel VF, Fremeau RT.
Structural modifications of N-arylamide oxadiazoles: Identification of N-arylpiperidine oxadiazoles as potent and... DiMauro EF, Buchanan JL, Cheng A, Emkey R, Hitchcock SA, Huang L, Huang MY, Janosky B, Lee JH, Li X, Martin MW, Tomlinson SA, White RD, Zheng XM, Patel VF, Fremeau RT.: Structural modifications of N-arylamide oxadiazoles: Identification of N-arylpiperidine oxadiazoles as potent and selective agonists of CB2. Bioorg Med Chem Lett, Volume 18 (15), 2008 Bioorg Med Chem Lett 2008 18640038
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Ding J, Shi J, Cui D, Xu L, Duan S, Guo L, Fei J.
Ding J, Shi J, Cui D, Xu L, Duan S, Guo L, Fei J.
Development of peptidic dopamine transporter inhibitors via aromatic modification-mediated conformational restriction. Ding J, Shi J, Cui D, Xu L, Duan S, Guo L, Fei J.: Development of peptidic dopamine transporter inhibitors via aromatic modification-mediated conformational restriction. J Med Chem, Volume 49 (14), 2006 J Med Chem 2006 16821765
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Ding X, Stasi LP, Ho MH, Zhao B, Wang H, Long K, Xu Q, Sang...
Ding X, Stasi LP, Ho MH, Zhao B, Wang H, Long K, Xu Q, Sang Y, Sun C, Hu H, Yu H, Wan Z, Wang L, Edge C, Liu Q, Li Y, Dong K, Guan X, Tattersall FD, Reith AD, Ren F.
Discovery of 4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amines as potent, selective and orally bioavailable LRRK2 inhibitors. Ding X, Stasi LP, Ho MH, Zhao B, Wang H, Long K, Xu Q, Sang Y, Sun C, Hu H, Yu H, Wan Z, Wang L, Edge C, Liu Q, Li Y, Dong K, Guan X, Tattersall FD, Reith AD, Ren F.: Discovery of 4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amines as potent, selective and orally bioavailable LRRK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (9), 2018 Bioorg Med Chem Lett 2018 29588215
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Do HT, Li H, Chreifi G, Poulos TL, Silverman RB.
Do HT, Li H, Chreifi G, Poulos TL, Silverman RB.
Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase... Do HT, Li H, Chreifi G, Poulos TL, Silverman RB.: Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30802056
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Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.
Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.
Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective... Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017 J Med Chem 2017 29091437
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Dolbois A, Bedi RK, Bochenkova E, Müller A, Moroz-Omori...
Dolbois A, Bedi RK, Bochenkova E, Müller A, Moroz-Omori EV, Huang D, Caflisch A.
1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. Dolbois A, Bedi RK, Bochenkova E, Müller A, Moroz-Omori EV, Huang D, Caflisch A.: 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. J Med Chem, Volume 64 (17), 2021 J Med Chem 2021 34431664
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Dolusić E, Larrieu P, Moineaux L, Stroobant V, Pilotte L,...
Dolusić E, Larrieu P, Moineaux L, Stroobant V, Pilotte L, Colau D, Pochet L, Van den Eynde B, Masereel B, Wouters J, Frédérick R.
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators. Dolusić E, Larrieu P, Moineaux L, Stroobant V, Pilotte L, Colau D, Pochet L, Van den Eynde B, Masereel B, Wouters J, Frédérick R.: Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators. J Med Chem, Volume 54 (15), 2011 J Med Chem 2011 21726069
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Donald AD, Clark VL, Patel S, Day FA, Rowlands MG, Wibata...
Donald AD, Clark VL, Patel S, Day FA, Rowlands MG, Wibata J, Stimson L, Hardcastle A, Eccles SA, McNamara D, Needham LA, Raynaud FI, Aherne W, Moffat DF.
Design and synthesis of novel pyrimidine hydroxamic acid inhibitors of histone deacetylases. Donald AD, Clark VL, Patel S, Day FA, Rowlands MG, Wibata J, Stimson L, Hardcastle A, Eccles SA, McNamara D, Needham LA, Raynaud FI, Aherne W, Moffat DF.: Design and synthesis of novel pyrimidine hydroxamic acid inhibitors of histone deacetylases. Bioorg Med Chem Lett, Volume 20 (22), 2010 Bioorg Med Chem Lett 2010 20884208
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Dong L, Marakovits J, Hou X, Guo C, Greasley S, Dagostino...
Dong L, Marakovits J, Hou X, Guo C, Greasley S, Dagostino E, Ferre R, Johnson MC, Kraynov E, Thomson J, Pathak V, Murray BW.
Structure-based design of novel human Pin1 inhibitors (II). Dong L, Marakovits J, Hou X, Guo C, Greasley S, Dagostino E, Ferre R, Johnson MC, Kraynov E, Thomson J, Pathak V, Murray BW.: Structure-based design of novel human Pin1 inhibitors (II). Bioorg Med Chem Lett, Volume 20 (7), 2010 Bioorg Med Chem Lett 2010 20207139
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Dong LB, Rudolf JD, Lin L, Ruiz C, Cameron MD, Shen B.
Dong LB, Rudolf JD, Lin L, Ruiz C, Cameron MD, Shen B.
In vivo instability of platensimycin and platencin: Synthesis and biological evaluation of urea- and... Dong LB, Rudolf JD, Lin L, Ruiz C, Cameron MD, Shen B.: In vivo instability of platensimycin and platencin: Synthesis and biological evaluation of urea- and carbamate-platensimycin. Bioorg Med Chem, Volume 25 (6), 2017 Bioorg Med Chem 2017 28237556
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Dong XP, Shen D, Wang X, Dawson T, Li X, Zhang Q, Cheng X,...
Dong XP, Shen D, Wang X, Dawson T, Li X, Zhang Q, Cheng X, Zhang Y, Weisman LS, Delling M, Xu H.
PI(3,5)P(2) controls membrane trafficking by direct activation of mucolipin Ca(2+) release channels in the endolysosome. Dong XP, Shen D, Wang X, Dawson T, Li X, Zhang Q, Cheng X, Zhang Y, Weisman LS, Delling M, Xu H.: PI(3,5)P(2) controls membrane trafficking by direct activation of mucolipin Ca(2+) release channels in the endolysosome. Nat Commun, Volume 1, 2010 Nat Commun 2010 20802798
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Dong Z, Ekins S, Polli JE.
Dong Z, Ekins S, Polli JE.
Structure-activity relationship for FDA approved drugs as inhibitors of the human sodium taurocholate cotransporting... Dong Z, Ekins S, Polli JE.: Structure-activity relationship for FDA approved drugs as inhibitors of the human sodium taurocholate cotransporting polypeptide (NTCP). Mol Pharm, Volume 10 (3), 2013 Mol Pharm 2013 23339484
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Donghi M, Attenni B, Gardelli C, Marco AD, Fiore F,...
Donghi M, Attenni B, Gardelli C, Marco AD, Fiore F, Giuliano C, Laufer R, Leone JF, Pucci V, Rowley M, Narjes F.
Synthesis and evaluation of novel phosphoramidate prodrugs of 2'-methyl cytidine as inhibitors of hepatitis C virus... Donghi M, Attenni B, Gardelli C, Marco AD, Fiore F, Giuliano C, Laufer R, Leone JF, Pucci V, Rowley M, Narjes F.: Synthesis and evaluation of novel phosphoramidate prodrugs of 2'-methyl cytidine as inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (5), 2009 Bioorg Med Chem Lett 2009 19181520
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Doniza, K., Ong, H. L., Villagracia, A. R., Ubando, A.,...
Doniza, K., Ong, H. L., Villagracia, A. R., Ubando, A., David, M., Arboleda Jr., N., Culaba, A., Kasai, H.
A Molecular Dynamics Study on the Permeability of Oxygen, Carbon Dioxide and Xenon on dioleoyl-phosphatidylcholine... Doniza, K., Ong, H. L., Villagracia, A. R., Ubando, A., David, M., Arboleda Jr., N., Culaba, A., Kasai, H., A Molecular Dynamics Study on the Permeability of Oxygen, Carbon Dioxide and Xenon on dioleoyl-phosphatidylcholine (DOPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) Double Lipid Bilayer. Proceedings of the DLSU Research Congress Vol. 3 2015 Proceedings of the DLSU Research Congress Vol. 3 2015 2015
Total substances: 3
Total passive interactions: 6
Total active interactions: 0
Dönnecke D, Schweinitz A, Stürzebecher A, Steinmetzer P,...
Dönnecke D, Schweinitz A, Stürzebecher A, Steinmetzer P, Schuster M, Stürzebecher U, Nicklisch S, Stürzebecher J, Steinmetzer T.
From selective substrate analogue factor Xa inhibitors to dual inhibitors of thrombin and factor Xa. Part 3. Dönnecke D, Schweinitz A, Stürzebecher A, Steinmetzer P, Schuster M, Stürzebecher U, Nicklisch S, Stürzebecher J, Steinmetzer T.: From selective substrate analogue factor Xa inhibitors to dual inhibitors of thrombin and factor Xa. Part 3. Bioorg Med Chem Lett, Volume 17 (12), 2007 Bioorg Med Chem Lett 2007 17462889
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Döppenschmitt S, Spahn-Langguth H, Regårdh CG, Langguth P.
Döppenschmitt S, Spahn-Langguth H, Regårdh CG, Langguth P.
Role of P-glycoprotein-mediated secretion in absorptive drug permeability: An approach using passive membrane... Döppenschmitt S, Spahn-Langguth H, Regårdh CG, Langguth P.: Role of P-glycoprotein-mediated secretion in absorptive drug permeability: An approach using passive membrane permeability and affinity to P-glycoprotein. J Pharm Sci, Volume 88 (10), 1999 J Pharm Sci 1999 10514357
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Dorange I, Forsblom R, Macsari I, Svensson M, Bylund J,...
Dorange I, Forsblom R, Macsari I, Svensson M, Bylund J, Besidski Y, Blid J, Sohn D, Gravenfors Y.
Discovery of novel pyrrolopyridazine scaffolds as transient receptor potential vanilloid (TRPV1) antagonists. Dorange I, Forsblom R, Macsari I, Svensson M, Bylund J, Besidski Y, Blid J, Sohn D, Gravenfors Y.: Discovery of novel pyrrolopyridazine scaffolds as transient receptor potential vanilloid (TRPV1) antagonists. Bioorg Med Chem Lett, Volume 22 (22), 2012 Bioorg Med Chem Lett 2012 23058884
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Dotson RJ, Pias SC.
Dotson RJ, Pias SC.
Reduced Oxygen Permeability upon Protein Incorporation Within Phospholipid Bilayers. Dotson RJ, Pias SC.: Reduced Oxygen Permeability upon Protein Incorporation Within Phospholipid Bilayers. Adv Exp Med Biol, Volume 1072, 405-411, 2018 Adv Exp Med Biol 2018 30178379
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Dow RL, Carpino PA, Gautreau D, Hadcock JR, Iredale PA,...
Dow RL, Carpino PA, Gautreau D, Hadcock JR, Iredale PA, Kelly-Sullivan D, Lizano JS, O'Connor RE, Schneider SR, Scott DO, Ward KM.
Design of a Potent CB1 Receptor Antagonist Series: Potential Scaffold for Peripherally-Targeted Agents. Dow RL, Carpino PA, Gautreau D, Hadcock JR, Iredale PA, Kelly-Sullivan D, Lizano JS, O'Connor RE, Schneider SR, Scott DO, Ward KM.: Design of a Potent CB1 Receptor Antagonist Series: Potential Scaffold for Peripherally-Targeted Agents. ACS Med Chem Lett, Volume 3 (5), 2012 ACS Med Chem Lett 2012 24900484
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Dow RL, Li JC, Pence MP, Gibbs EM, LaPerle JL, Litchfield...
Dow RL, Li JC, Pence MP, Gibbs EM, LaPerle JL, Litchfield J, Piotrowski DW, Munchhof MJ, Manion TB, Zavadoski WJ, Walker GS, McPherson RK, Tapley S, Sugarman E, Guzman-Perez A, DaSilva-Jardine P.
Discovery of PF-04620110, a Potent, Selective, and Orally Bioavailable Inhibitor of DGAT-1. Dow RL, Li JC, Pence MP, Gibbs EM, LaPerle JL, Litchfield J, Piotrowski DW, Munchhof MJ, Manion TB, Zavadoski WJ, Walker GS, McPherson RK, Tapley S, Sugarman E, Guzman-Perez A, DaSilva-Jardine P.: Discovery of PF-04620110, a Potent, Selective, and Orally Bioavailable Inhibitor of DGAT-1. ACS Med Chem Lett, Volume 2 (5), 2011 ACS Med Chem Lett 2011 24900321
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Dowling JE, Chuaqui C, Pontz TW, Lyne PD, Larsen NA, Block...
Dowling JE, Chuaqui C, Pontz TW, Lyne PD, Larsen NA, Block MH, Chen H, Su N, Wu A, Russell D, Pollard H, Lee JW, Peng B, Thakur K, Ye Q, Zhang T, Brassil P, Racicot V, Bao L, Denz CR, Cooke E.
Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization. Dowling JE, Chuaqui C, Pontz TW, Lyne PD, Larsen NA, Block MH, Chen H, Su N, Wu A, Russell D, Pollard H, Lee JW, Peng B, Thakur K, Ye Q, Zhang T, Brassil P, Racicot V, Bao L, Denz CR, Cooke E.: Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization. ACS Med Chem Lett, Volume 3 (4), 2012 ACS Med Chem Lett 2012 24900464
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Down K, Amour A, Anderson NA, Barton N, Campos S, Cannons...
Down K, Amour A, Anderson NA, Barton N, Campos S, Cannons EP, Clissold C, Convery MA, Coward JJ, Doyle K, Duempelfeld B, Edwards CD, Goldsmith MD, Krause J, Mallett DN, McGonagle GA, Patel VK, Rowedder J, Rowland P, Sharpe A, Sriskantharajah S, Thomas DA, Thomson DW, Uddin S, Hamblin JN, Hessel EM.
Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3Kδ with a Novel Binding... Down K, Amour A, Anderson NA, Barton N, Campos S, Cannons EP, Clissold C, Convery MA, Coward JJ, Doyle K, Duempelfeld B, Edwards CD, Goldsmith MD, Krause J, Mallett DN, McGonagle GA, Patel VK, Rowedder J, Rowland P, Sharpe A, Sriskantharajah S, Thomas DA, Thomson DW, Uddin S, Hamblin JN, Hessel EM.: Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3Kδ with a Novel Binding Mode. J Med Chem, Volume 64 (18), 2021 J Med Chem 2021 34510892
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Doyle K, Lönn H, Käck H, Van de Poël A, Swallow S,...
Doyle K, Lönn H, Käck H, Van de Poël A, Swallow S, Gardiner P, Connolly S, Root J, Wikell C, Dahl G, Stenvall K, Johannesson P.
Discovery of Second Generation Reversible Covalent DPP1 Inhibitors Leading to an Oxazepane Amidoacetonitrile Based... Doyle K, Lönn H, Käck H, Van de Poël A, Swallow S, Gardiner P, Connolly S, Root J, Wikell C, Dahl G, Stenvall K, Johannesson P.: Discovery of Second Generation Reversible Covalent DPP1 Inhibitors Leading to an Oxazepane Amidoacetonitrile Based Clinical Candidate (AZD7986). J Med Chem, Volume 59 (20), 2016 J Med Chem 2016 27690432
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Dragovich PS, Bair KW, Baumeister T, Ho YC, Liederer BM,...
Dragovich PS, Bair KW, Baumeister T, Ho YC, Liederer BM, Liu X, Liu Y, O'Brien T, Oeh J, Sampath D, Skelton N, Wang L, Wang W, Wu H, Xiao Y, Yuen PW, Zak M, Zhang L, Zheng X.
Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide... Dragovich PS, Bair KW, Baumeister T, Ho YC, Liederer BM, Liu X, Liu Y, O'Brien T, Oeh J, Sampath D, Skelton N, Wang L, Wang W, Wu H, Xiao Y, Yuen PW, Zak M, Zhang L, Zheng X.: Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg Med Chem Lett, Volume 23 (17), 2013 Bioorg Med Chem Lett 2013 23899614
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Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R,...
Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.
Novel HCV NS5B polymerase inhibitors derived from... Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008 Bioorg Med Chem Lett 2008 18796353
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Dragovich PS, Fauber BP, Boggs J, Chen J, Corson LB, Ding...
Dragovich PS, Fauber BP, Boggs J, Chen J, Corson LB, Ding CZ, Eigenbrot C, Ge H, Giannetti AM, Hunsaker T, Labadie S, Li C, Liu Y, Liu Y, Ma S, Malek S, Peterson D, Pitts KE, Purkey HE, Robarge K, Salphati L, Sideris S, Ultsch M, VanderPorten E, Wang J, Wei B, Xu Q, Yen I, Yue Q, Zhang H, Zhang X, Zhou A.
Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Dragovich PS, Fauber BP, Boggs J, Chen J, Corson LB, Ding CZ, Eigenbrot C, Ge H, Giannetti AM, Hunsaker T, Labadie S, Li C, Liu Y, Liu Y, Ma S, Malek S, Peterson D, Pitts KE, Purkey HE, Robarge K, Salphati L, Sideris S, Ultsch M, VanderPorten E, Wang J, Wei B, Xu Q, Yen I, Yue Q, Zhang H, Zhang X, Zhou A.: Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg Med Chem Lett, Volume 24 (16), 2014 Bioorg Med Chem Lett 2014 25037916
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Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT,...
Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.
Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors.... Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. J Med Chem, Volume 46 (21), 2003 J Med Chem 2003 14521419
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Draoui N, Schicke O, Fernandes A, Drozak X, Nahra F, Dumont...
Draoui N, Schicke O, Fernandes A, Drozak X, Nahra F, Dumont A, Douxfils J, Hermans E, Dogné JM, Corbau R, Marchand A, Chaltin P, Sonveaux P, Feron O, Riant O.
Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport... Draoui N, Schicke O, Fernandes A, Drozak X, Nahra F, Dumont A, Douxfils J, Hermans E, Dogné JM, Corbau R, Marchand A, Chaltin P, Sonveaux P, Feron O, Riant O.: Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells. Bioorg Med Chem, Volume 21 (22), 2013 Bioorg Med Chem 2013 24095010
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A,...
Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.
Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with... Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009 Eur J Med Chem 2009 19410338
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Dresser MJ, Xiao G, Leabman MK, Gray AT, Giacomini KM.
Dresser MJ, Xiao G, Leabman MK, Gray AT, Giacomini KM.
Interactions of n-tetraalkylammonium compounds and biguanides with a human renal organic cation transporter (hOCT2). Dresser MJ, Xiao G, Leabman MK, Gray AT, Giacomini KM.: Interactions of n-tetraalkylammonium compounds and biguanides with a human renal organic cation transporter (hOCT2). Pharm Res, Volume 19 (8), 2002 Pharm Res 2002 12240953
Total substances: 6
Total passive interactions: 0
Total active interactions: 8
Drewry DH, Annor-Gyamfi JK, Wells CI, Pickett JE, Dederer...
Drewry DH, Annor-Gyamfi JK, Wells CI, Pickett JE, Dederer V, Preuss F, Mathea S, Axtman AD.
Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration. Drewry DH, Annor-Gyamfi JK, Wells CI, Pickett JE, Dederer V, Preuss F, Mathea S, Axtman AD.: Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration. J Med Chem, Volume 65 (2), 2022 J Med Chem 2022 34333981
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Dreyfus N, Myers JK, Badescu VO, de Frutos O, de la Puente...
Dreyfus N, Myers JK, Badescu VO, de Frutos O, de la Puente ML, Ding C, Filla SA, Fynboe K, Gernert DL, Heinz BA, Hemrick-Luecke SK, Johnson KW, Johnson MP, López P, Love PL, Martin LJ, Masquelin T, McCoy MJ, Mendiola J, Morrow D, Muhlhauser M, Pascual G, Perun TJ, Pfeifer LA, Phebus LA, Richards SJ, Rincón JA, Seest EP, Shah J, Shaojuan J, Simmons RM, Stephenson GA, Tromiczak EG, Thompson LK, Walter MW, Weber WW, Zarrinmayeh H, Thomas CE, Joshi E, Iyengar S, Johansson AM.
Discovery of a potent, dual serotonin and norepinephrine reuptake inhibitor. Dreyfus N, Myers JK, Badescu VO, de Frutos O, de la Puente ML, Ding C, Filla SA, Fynboe K, Gernert DL, Heinz BA, Hemrick-Luecke SK, Johnson KW, Johnson MP, López P, Love PL, Martin LJ, Masquelin T, McCoy MJ, Mendiola J, Morrow D, Muhlhauser M, Pascual G, Perun TJ, Pfeifer LA, Phebus LA, Richards SJ, Rincón JA, Seest EP, Shah J, Shaojuan J, Simmons RM, Stephenson GA, Tromiczak EG, Thompson LK, Walter MW, Weber WW, Zarrinmayeh H, Thomas CE, Joshi E, Iyengar S, Johansson AM.: Discovery of a potent, dual serotonin and norepinephrine reuptake inhibitor. ACS Med Chem Lett, Volume 4 (6), 2013 ACS Med Chem Lett 2013 24900709
Total substances: 5
Total passive interactions: 0
Total active interactions: 7
Drizin I, Gregg RJ, Scanio MJ, Shi L, Gross MF, Atkinson...
Drizin I, Gregg RJ, Scanio MJ, Shi L, Gross MF, Atkinson RN, Thomas JB, Johnson MS, Carroll WA, Marron BE, Chapman ML, Liu D, Krambis MJ, Shieh CC, Zhang X, Hernandez G, Gauvin DM, Mikusa JP, Zhu CZ, Joshi S, Honore P, Marsh KC, Roeloffs R, Werness S, Krafte DS, Jarvis MF, Faltynek CR, Kort ME.
Discovery of potent furan piperazine sodium channel blockers for treatment of neuropathic pain. Drizin I, Gregg RJ, Scanio MJ, Shi L, Gross MF, Atkinson RN, Thomas JB, Johnson MS, Carroll WA, Marron BE, Chapman ML, Liu D, Krambis MJ, Shieh CC, Zhang X, Hernandez G, Gauvin DM, Mikusa JP, Zhu CZ, Joshi S, Honore P, Marsh KC, Roeloffs R, Werness S, Krafte DS, Jarvis MF, Faltynek CR, Kort ME.: Discovery of potent furan piperazine sodium channel blockers for treatment of neuropathic pain. Bioorg Med Chem, Volume 16 (12), 2008 Bioorg Med Chem 2008 18501613
Total substances: 2
Total passive interactions: 0
Total active interactions: 6
Du C, Wang L, Guan Q, Yang H, Chen T, Liu Y, Li Q, Lyu W,...
Du C, Wang L, Guan Q, Yang H, Chen T, Liu Y, Li Q, Lyu W, Lu X, Chen Y, Liu Y, Liu H, Feng F, Liu W, Liu Z, Li W, Chen Y, Sun H.
N-Benzyl Benzamide Derivatives as Selective Sub-Nanomolar Butyrylcholinesterase Inhibitors for Possible... Du C, Wang L, Guan Q, Yang H, Chen T, Liu Y, Li Q, Lyu W, Lu X, Chen Y, Liu Y, Liu H, Feng F, Liu W, Liu Z, Li W, Chen Y, Sun H.: N-Benzyl Benzamide Derivatives as Selective Sub-Nanomolar Butyrylcholinesterase Inhibitors for Possible Treatment in Advanced Alzheimer's Disease. J Med Chem, Volume 65 (16), 2022 J Med Chem 2022 35969197
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Du Nguyen H, Okada T, Kitamura S, Yamaoka S, Horaguchi Y,...
Du Nguyen H, Okada T, Kitamura S, Yamaoka S, Horaguchi Y, Kasanami Y, Sekiguchi F, Tsubota M, Yoshida S, Nishikawa H, Kawabata A, Toyooka N.
Design and synthesis of novel anti-hyperalgesic agents based on 6-prenylnaringenin as the T-type calcium channel... Du Nguyen H, Okada T, Kitamura S, Yamaoka S, Horaguchi Y, Kasanami Y, Sekiguchi F, Tsubota M, Yoshida S, Nishikawa H, Kawabata A, Toyooka N.: Design and synthesis of novel anti-hyperalgesic agents based on 6-prenylnaringenin as the T-type calcium channel blockers. Bioorg Med Chem, Volume 26 (15), 2018 Bioorg Med Chem 2018 30031654
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Total passive interactions: 0
Total active interactions: 2
Du X, Chen X, Mihalic JT, Deignan J, Duquette J, Li AR,...
Du X, Chen X, Mihalic JT, Deignan J, Duquette J, Li AR, Lemon B, Ma J, Miao S, Ebsworth K, Sullivan TJ, Tonn G, Collins TL, Medina JC.
Design and optimization of imidazole derivatives as potent CXCR3 antagonists. Du X, Chen X, Mihalic JT, Deignan J, Duquette J, Li AR, Lemon B, Ma J, Miao S, Ebsworth K, Sullivan TJ, Tonn G, Collins TL, Medina JC.: Design and optimization of imidazole derivatives as potent CXCR3 antagonists. Bioorg Med Chem Lett, Volume 18 (2), 2008 Bioorg Med Chem Lett 2008 18063364
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Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ,...
Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.
Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009 Bioorg Med Chem 2009 19734051
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Duan H, Ning M, Zou Q, Ye Y, Feng Y, Zhang L, Leng Y, Shen...
Duan H, Ning M, Zou Q, Ye Y, Feng Y, Zhang L, Leng Y, Shen J.
Discovery of Intestinal Targeted TGR5 Agonists for the Treatment of Type 2 Diabetes. Duan H, Ning M, Zou Q, Ye Y, Feng Y, Zhang L, Leng Y, Shen J.: Discovery of Intestinal Targeted TGR5 Agonists for the Treatment of Type 2 Diabetes. J Med Chem, Volume 58 (8), 2015 J Med Chem 2015 25710631
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Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian...
Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.
Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008 Bioorg Med Chem Lett 2008 18032037
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Duan JJ, Lu Z, Jiang B, Stachura S, Weigelt CA, Sack JS,...
Duan JJ, Lu Z, Jiang B, Stachura S, Weigelt CA, Sack JS, Khan J, Ruzanov M, Galella MA, Wu DR, Yarde M, Shen DR, Shuster DJ, Borowski V, Xie JH, Zhang L, Vanteru S, Gupta AK, Mathur A, Zhao Q, Foster W, Salter-Cid LM, Carter PH, Dhar TGM.
Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active RORγt Inverse... Duan JJ, Lu Z, Jiang B, Stachura S, Weigelt CA, Sack JS, Khan J, Ruzanov M, Galella MA, Wu DR, Yarde M, Shen DR, Shuster DJ, Borowski V, Xie JH, Zhang L, Vanteru S, Gupta AK, Mathur A, Zhao Q, Foster W, Salter-Cid LM, Carter PH, Dhar TGM.: Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active RORγt Inverse Agonists. ACS Med Chem Lett, Volume 10 (3), 2019 ACS Med Chem Lett 2019 30891142
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Duan JJ, Lu Z, Jiang B, Yang BV, Doweyko LM, Nirschl DS,...
Duan JJ, Lu Z, Jiang B, Yang BV, Doweyko LM, Nirschl DS, Haque LE, Lin S, Brown G, Hynes J, Tokarski JS, Sack JS, Khan J, Lippy JS, Zhang RF, Pitt S, Shen G, Pitts WJ, Carter PH, Barrish JC, Nadler SG, Salter-Cid LM, McKinnon M, Fura A, Schieven GL, Wrobleski ST.
Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors. Duan JJ, Lu Z, Jiang B, Yang BV, Doweyko LM, Nirschl DS, Haque LE, Lin S, Brown G, Hynes J, Tokarski JS, Sack JS, Khan J, Lippy JS, Zhang RF, Pitt S, Shen G, Pitts WJ, Carter PH, Barrish JC, Nadler SG, Salter-Cid LM, McKinnon M, Fura A, Schieven GL, Wrobleski ST.: Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors. Bioorg Med Chem Lett, Volume 24 (24), 2014 Bioorg Med Chem Lett 2014 25453808
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Duan M, Kazmierski W, Crosby R, Gartland M, Ji J, Tallant...
Duan M, Kazmierski W, Crosby R, Gartland M, Ji J, Tallant M, Wang A, Hamatake R, Wright L, Wu M, Zhang YK, Ding CZ, Li X, Liu Y, Zhang S, Zhou Y, Plattner JJ, Baker SJ.
Discovery of novel P3-oxo inhibitor of hepatitis C virus NS3/4A serine protease. Duan M, Kazmierski W, Crosby R, Gartland M, Ji J, Tallant M, Wang A, Hamatake R, Wright L, Wu M, Zhang YK, Ding CZ, Li X, Liu Y, Zhang S, Zhou Y, Plattner JJ, Baker SJ.: Discovery of novel P3-oxo inhibitor of hepatitis C virus NS3/4A serine protease. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22425454
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Ducray R, Ballard P, Barlaam BC, Hickinson MD, Kettle JG,...
Ducray R, Ballard P, Barlaam BC, Hickinson MD, Kettle JG, Ogilvie DJ, Trigwell CB.
Novel 3-alkoxy-1H-pyrazolo[3,4-d]pyrimidines as EGFR and erbB2 receptor tyrosine kinase inhibitors. Ducray R, Ballard P, Barlaam BC, Hickinson MD, Kettle JG, Ogilvie DJ, Trigwell CB.: Novel 3-alkoxy-1H-pyrazolo[3,4-d]pyrimidines as EGFR and erbB2 receptor tyrosine kinase inhibitors. Bioorg Med Chem Lett, Volume 18 (3), 2008 Bioorg Med Chem Lett 2008 18182285
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Duffel MW, Ing IS, Segarra TM, Dixson JA, Barfknecht CF,...
Duffel MW, Ing IS, Segarra TM, Dixson JA, Barfknecht CF, Schoenwald RD.
N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. Duffel MW, Ing IS, Segarra TM, Dixson JA, Barfknecht CF, Schoenwald RD.: N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. J Med Chem, Volume 29 (8), 1488-1494, 1986 J Med Chem 1986 3735316
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Duplantier AJ, Dombroski MA, Subramanyam C, Beaulieu AM,...
Duplantier AJ, Dombroski MA, Subramanyam C, Beaulieu AM, Chang SP, Gabel CA, Jordan C, Kalgutkar AS, Kraus KG, Labasi JM, Mussari C, Perregaux DG, Shepard R, Taylor TJ, Trevena KA, Whitney-Pickett C, Yoon K.
Optimization of the physicochemical and pharmacokinetic attributes in a 6-azauracil series of P2X7 receptor antagonists... Duplantier AJ, Dombroski MA, Subramanyam C, Beaulieu AM, Chang SP, Gabel CA, Jordan C, Kalgutkar AS, Kraus KG, Labasi JM, Mussari C, Perregaux DG, Shepard R, Taylor TJ, Trevena KA, Whitney-Pickett C, Yoon K.: Optimization of the physicochemical and pharmacokinetic attributes in a 6-azauracil series of P2X7 receptor antagonists leading to the discovery of the clinical candidate CE-224,535. Bioorg Med Chem Lett, Volume 21 (12), 2011 Bioorg Med Chem Lett 2011 21565499
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Duraiswamy AJ, Lee MA, Madan B, Ang SH, Tan ES, Cheong WW,...
Duraiswamy AJ, Lee MA, Madan B, Ang SH, Tan ES, Cheong WW, Ke Z, Pendharkar V, Ding LJ, Chew YS, Manoharan V, Sangthongpitag K, Alam J, Poulsen A, Ho SY, Virshup DM, Keller TH.
Discovery and Optimization of a Porcupine Inhibitor. Duraiswamy AJ, Lee MA, Madan B, Ang SH, Tan ES, Cheong WW, Ke Z, Pendharkar V, Ding LJ, Chew YS, Manoharan V, Sangthongpitag K, Alam J, Poulsen A, Ho SY, Virshup DM, Keller TH.: Discovery and Optimization of a Porcupine Inhibitor. J Med Chem, Volume 58 (15), 2015 J Med Chem 2015 26110200
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Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J,...
Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.
Structure-activity relationship studies and biological characterization of human NAD(+)-dependent... Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014 Bioorg Med Chem Lett 2014 24360556
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Dvorak CA, Coate H, Nepomuceno D, Wennerholm M, Kuei C,...
Dvorak CA, Coate H, Nepomuceno D, Wennerholm M, Kuei C, Lord B, Woody D, Bonaventure P, Liu C, Lovenberg T, Carruthers NI.
Identification and SAR of Glycine Benzamides as Potent Agonists for the GPR139 Receptor. Dvorak CA, Coate H, Nepomuceno D, Wennerholm M, Kuei C, Lord B, Woody D, Bonaventure P, Liu C, Lovenberg T, Carruthers NI.: Identification and SAR of Glycine Benzamides as Potent Agonists for the GPR139 Receptor. ACS Med Chem Lett, Volume 6 (9), 2015 ACS Med Chem Lett 2015 26396690
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Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J,...
Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.
Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors... Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008 J Med Chem 2008 18954038
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Dziwornu GA, Coertzen D, Leshabane M, Korkor CM, Cloete CK,...
Dziwornu GA, Coertzen D, Leshabane M, Korkor CM, Cloete CK, Njoroge M, Gibhard L, Lawrence N, Reader J, van der Watt M, Wittlin S, Birkholtz LM, Chibale K, Chibale K.
Antimalarial Benzimidazole Derivatives Incorporating Phenolic Mannich Base Side Chains Inhibit Microtubule and Hemozoin... Dziwornu GA, Coertzen D, Leshabane M, Korkor CM, Cloete CK, Njoroge M, Gibhard L, Lawrence N, Reader J, van der Watt M, Wittlin S, Birkholtz LM, Chibale K, Chibale K.: Antimalarial Benzimidazole Derivatives Incorporating Phenolic Mannich Base Side Chains Inhibit Microtubule and Hemozoin Formation: Structure-Activity Relationship and In Vivo Oral Efficacy Studies. J Med Chem, Volume 64 (8), 2021 J Med Chem 2021 33844521
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East SP, Bamford S, Dietz MG, Eickmeier C, Flegg A, Ferger...
East SP, Bamford S, Dietz MG, Eickmeier C, Flegg A, Ferger B, Gemkow MJ, Heilker R, Hengerer B, Kotey A, Loke P, Schänzle G, Schubert HD, Scott J, Whittaker M, Williams M, Zawadzki P, Gerlach K.
An orally bioavailable positive allosteric modulator of the mGlu4 receptor with efficacy in an animal model of motor... East SP, Bamford S, Dietz MG, Eickmeier C, Flegg A, Ferger B, Gemkow MJ, Heilker R, Hengerer B, Kotey A, Loke P, Schänzle G, Schubert HD, Scott J, Whittaker M, Williams M, Zawadzki P, Gerlach K.: An orally bioavailable positive allosteric modulator of the mGlu4 receptor with efficacy in an animal model of motor dysfunction. Bioorg Med Chem Lett, Volume 20 (16), 2010 Bioorg Med Chem Lett 2010 20638279
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Eastman KJ, Yang Z, Bender JA, Mosure K, Lemm JA, Meanwell...
Eastman KJ, Yang Z, Bender JA, Mosure K, Lemm JA, Meanwell NA, Roberts SB, Knipe J, Kadow JF.
Identification of a novel series of potent HCV NS5B Site I inhibitors. Eastman KJ, Yang Z, Bender JA, Mosure K, Lemm JA, Meanwell NA, Roberts SB, Knipe J, Kadow JF.: Identification of a novel series of potent HCV NS5B Site I inhibitors. Bioorg Med Chem Lett, Volume 24 (8), 2014 Bioorg Med Chem Lett 2014 24656612
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Eastwood P, Esteve C, González J, Fonquerna S, Aiguadé J,...
Eastwood P, Esteve C, González J, Fonquerna S, Aiguadé J, Carranco I, Doménech T, Aparici M, Miralpeix M, Albertí J, Córdoba M, Fernández R, Pont M, Godessart N, Prats N, Loza MI, Cadavid MI, Nueda A, Vidal B.
Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A2B Adenosine Receptor Antagonist. Eastwood P, Esteve C, González J, Fonquerna S, Aiguadé J, Carranco I, Doménech T, Aparici M, Miralpeix M, Albertí J, Córdoba M, Fernández R, Pont M, Godessart N, Prats N, Loza MI, Cadavid MI, Nueda A, Vidal B.: Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A2B Adenosine Receptor Antagonist. ACS Med Chem Lett, Volume 2 (3), 2011 ACS Med Chem Lett 2011 24900298
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Eastwood P, González J, Gómez E, Caturla F, Aguilar N,...
Eastwood P, González J, Gómez E, Caturla F, Aguilar N, Mir M, Aiguadé J, Matassa V, Balagué C, Orellana A, Domínguez M.
Indolin-2-one p38α inhibitors III: bioisosteric amide replacement. Eastwood P, González J, Gómez E, Caturla F, Aguilar N, Mir M, Aiguadé J, Matassa V, Balagué C, Orellana A, Domínguez M.: Indolin-2-one p38α inhibitors III: bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 21 (21), 2011 Bioorg Med Chem Lett 2011 21958544
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Eastwood P, González J, Gómez E, Caturla F, Balagué C,...
Eastwood P, González J, Gómez E, Caturla F, Balagué C, Orellana A, Domínguez M.
Indolin-2-one p38α inhibitors II: Lead optimisation. Eastwood P, González J, Gómez E, Caturla F, Balagué C, Orellana A, Domínguez M.: Indolin-2-one p38α inhibitors II: Lead optimisation. Bioorg Med Chem Lett, Volume 21 (18), 2011 Bioorg Med Chem Lett 2011 21813275
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Eastwood P, González J, Gómez E, Vidal B, Caturla F, Roca...
Eastwood P, González J, Gómez E, Vidal B, Caturla F, Roca R, Balagué C, Orellana A, Domínguez M.
Indolin-2-one p38α inhibitors I: design, profiling and crystallographic binding mode. Eastwood P, González J, Gómez E, Vidal B, Caturla F, Roca R, Balagué C, Orellana A, Domínguez M.: Indolin-2-one p38α inhibitors I: design, profiling and crystallographic binding mode. Bioorg Med Chem Lett, Volume 21 (14), 2011 Bioorg Med Chem Lett 2011 21696951
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Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A,...
Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.
Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.: Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 20 (5), 2010 Bioorg Med Chem Lett 2010 20138516
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Ebert A, Hannesschlaeger C, Goss KU, Pohl P.
Ebert A, Hannesschlaeger C, Goss KU, Pohl P.
Passive Permeability of Planar Lipid Bilayers to Organic Anions. Ebert A, Hannesschlaeger C, Goss KU, Pohl P.: Passive Permeability of Planar Lipid Bilayers to Organic Anions. Biophys J, Volume 115 (10), 1931-1941, 2018 Biophys J 2018 30360927
Total substances: 24
Total passive interactions: 24
Total active interactions: 0
Ebiike H, Taka N, Matsushita M, Ohmori M, Takami K, Hyohdoh...
Ebiike H, Taka N, Matsushita M, Ohmori M, Takami K, Hyohdoh I, Kohchi M, Hayase T, Nishii H, Morikami K, Nakanishi Y, Akiyama N, Shindoh H, Ishii N, Isobe T, Matsuoka H.
Discovery of [5-Amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CH5183284/Debio 1347),... Ebiike H, Taka N, Matsushita M, Ohmori M, Takami K, Hyohdoh I, Kohchi M, Hayase T, Nishii H, Morikami K, Nakanishi Y, Akiyama N, Shindoh H, Ishii N, Isobe T, Matsuoka H.: Discovery of [5-Amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CH5183284/Debio 1347), An Orally Available and Selective Fibroblast Growth Factor Receptor (FGFR) Inhibitor. J Med Chem, Volume 59 (23), 2016 J Med Chem 2016 27933954
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Edelhauser HF, Maren TH.
Edelhauser HF, Maren TH.
Permeability of human cornea and sclera to sulfonamide carbonic anhydrase inhibitors. Edelhauser HF, Maren TH.: Permeability of human cornea and sclera to sulfonamide carbonic anhydrase inhibitors. Arch Ophthalmol, Volume 106 (8), 1110-1115, 1988 Arch Ophthalmol 1988 3401140
Total substances: 4
Total passive interactions: 8
Total active interactions: 0
Edlin CD, Morgans G, Winks S, Duffy S, Avery VM, Wittlin S,...
Edlin CD, Morgans G, Winks S, Duffy S, Avery VM, Wittlin S, Waterson D, Burrows J, Bryans J.
Identification and In-Vitro ADME Assessment of a Series of Novel Anti-Malarial Agents Suitable for Hit-to-Lead... Edlin CD, Morgans G, Winks S, Duffy S, Avery VM, Wittlin S, Waterson D, Burrows J, Bryans J.: Identification and In-Vitro ADME Assessment of a Series of Novel Anti-Malarial Agents Suitable for Hit-to-Lead Chemistry. ACS Med Chem Lett, Volume 3 (7), 2012 ACS Med Chem Lett 2012 24900512
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Edmondson SD, Zhu C, Kar NF, Di Salvo J, Nagabukuro H,...
Edmondson SD, Zhu C, Kar NF, Di Salvo J, Nagabukuro H, Sacre-Salem B, Dingley K, Berger R, Goble SD, Morriello G, Harper B, Moyes CR, Shen DM, Wang L, Ball R, Fitzmaurice A, Frenkl T, Gichuru LN, Ha S, Hurley AL, Jochnowitz N, Levorse D, Mistry S, Miller RR, Ormes J, Salituro GM, Sanfiz A, Stevenson AS, Villa K, Zamlynny B, Green S, Struthers M, Weber AE.
Discovery of Vibegron: A Potent and Selective β3 Adrenergic Receptor Agonist for the Treatment of Overactive Bladder. Edmondson SD, Zhu C, Kar NF, Di Salvo J, Nagabukuro H, Sacre-Salem B, Dingley K, Berger R, Goble SD, Morriello G, Harper B, Moyes CR, Shen DM, Wang L, Ball R, Fitzmaurice A, Frenkl T, Gichuru LN, Ha S, Hurley AL, Jochnowitz N, Levorse D, Mistry S, Miller RR, Ormes J, Salituro GM, Sanfiz A, Stevenson AS, Villa K, Zamlynny B, Green S, Struthers M, Weber AE.: Discovery of Vibegron: A Potent and Selective β3 Adrenergic Receptor Agonist for the Treatment of Overactive Bladder. J Med Chem, Volume 59 (2), 2016 J Med Chem 2016 26709102
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Edwards N, Anderson CM, Gatfield KM, Jevons MP, Ganapathy...
Edwards N, Anderson CM, Gatfield KM, Jevons MP, Ganapathy V, Thwaites DT.
Amino acid derivatives are substrates or non-transported inhibitors of the amino acid transporter PAT2 (slc36a2). Edwards N, Anderson CM, Gatfield KM, Jevons MP, Ganapathy V, Thwaites DT.: Amino acid derivatives are substrates or non-transported inhibitors of the amino acid transporter PAT2 (slc36a2). Biochim Biophys Acta, Volume 1808 (1), 2011 Biochim Biophys Acta 2011 20691150
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Efremov IV, Vajdos FF, Borzilleri KA, Capetta S, Chen H,...
Efremov IV, Vajdos FF, Borzilleri KA, Capetta S, Chen H, Dorff PH, Dutra JK, Goldstein SW, Mansour M, McColl A, Noell S, Oborski CE, O'Connell TN, O'Sullivan TJ, Pandit J, Wang H, Wei B, Withka JM.
Discovery and optimization of a novel spiropyrrolidine inhibitor of β-secretase (BACE1) through fragment-based drug... Efremov IV, Vajdos FF, Borzilleri KA, Capetta S, Chen H, Dorff PH, Dutra JK, Goldstein SW, Mansour M, McColl A, Noell S, Oborski CE, O'Connell TN, O'Sullivan TJ, Pandit J, Wang H, Wei B, Withka JM.: Discovery and optimization of a novel spiropyrrolidine inhibitor of β-secretase (BACE1) through fragment-based drug design. J Med Chem, Volume 55 (21), 2012 J Med Chem 2012 22468999
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Eggert E, Hillig RC, Koehr S, Stöckigt D, Weiske J, Barak...
Eggert E, Hillig RC, Koehr S, Stöckigt D, Weiske J, Barak N, Mowat J, Brumby T, Christ CD, Ter Laak A, Lang T, Fernandez-Montalvan AE, Badock V, Weinmann H, Hartung IV, Barsyte-Lovejoy D, Szewczyk M, Kennedy S, Li F, Vedadi M, Brown PJ, Santhakumar V, Arrowsmith CH, Stellfeld T, Stresemann C.
Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the... Eggert E, Hillig RC, Koehr S, Stöckigt D, Weiske J, Barak N, Mowat J, Brumby T, Christ CD, Ter Laak A, Lang T, Fernandez-Montalvan AE, Badock V, Weinmann H, Hartung IV, Barsyte-Lovejoy D, Szewczyk M, Kennedy S, Li F, Vedadi M, Brown PJ, Santhakumar V, Arrowsmith CH, Stellfeld T, Stresemann C.: Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2. J Med Chem, Volume 59 (10), 2016 J Med Chem 2016 27075367
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Eid SY, El-Readi MZ, Wink M.
Eid SY, El-Readi MZ, Wink M.
Carotenoids reverse multidrug resistance in cancer cells by interfering with ABC-transporters. Eid SY, El-Readi MZ, Wink M.: Carotenoids reverse multidrug resistance in cancer cells by interfering with ABC-transporters. Phytomedicine, Volume 19 (11), 2012 Phytomedicine 2012 22770743
Total substances: 8
Total passive interactions: 0
Total active interactions: 8
Ekegren JK, Ginman N, Johansson A, Wallberg H, Larhed M,...
Ekegren JK, Ginman N, Johansson A, Wallberg H, Larhed M, Samuelsson B, Unge T, Hallberg A.
Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the... Ekegren JK, Ginman N, Johansson A, Wallberg H, Larhed M, Samuelsson B, Unge T, Hallberg A.: Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold. J Med Chem, Volume 49 (5), 2006 J Med Chem 2006 16509598
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Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B,...
Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A.
A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold. Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A.: A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold. J Med Chem, Volume 48 (25), 2005 J Med Chem 2005 16335934
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El Bakali J, Gilleron P, Body-Malapel M, Mansouri R,...
El Bakali J, Gilleron P, Body-Malapel M, Mansouri R, Muccioli GG, Djouina M, Barczyk A, Klupsch F, Andrzejak V, Lipka E, Furman C, Lambert DM, Chavatte P, Desreumaux P, Millet R.
4-Oxo-1,4-dihydropyridines as selective CB₂ cannabinoid receptor ligands. Part 2: discovery of new agonists endowed... El Bakali J, Gilleron P, Body-Malapel M, Mansouri R, Muccioli GG, Djouina M, Barczyk A, Klupsch F, Andrzejak V, Lipka E, Furman C, Lambert DM, Chavatte P, Desreumaux P, Millet R.: 4-Oxo-1,4-dihydropyridines as selective CB₂ cannabinoid receptor ligands. Part 2: discovery of new agonists endowed with protective effect against experimental colitis. J Med Chem, Volume 55 (20), 2012 J Med Chem 2012 23017078
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El Bakali J, Muccioli GG, Body-Malapel M, Djouina M,...
El Bakali J, Muccioli GG, Body-Malapel M, Djouina M, Klupsch F, Ghinet A, Barczyk A, Renault N, Chavatte P, Desreumaux P, Lambert DM, Millet R.
Conformational Restriction Leading to a Selective CB2 Cannabinoid Receptor Agonist Orally Active Against Colitis. El Bakali J, Muccioli GG, Body-Malapel M, Djouina M, Klupsch F, Ghinet A, Barczyk A, Renault N, Chavatte P, Desreumaux P, Lambert DM, Millet R.: Conformational Restriction Leading to a Selective CB2 Cannabinoid Receptor Agonist Orally Active Against Colitis. ACS Med Chem Lett, Volume 6 (2), 2015 ACS Med Chem Lett 2015 25699149
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El Ela AA, Härtter S, Schmitt U, Hiemke C, Spahn-Langguth...
El Ela AA, Härtter S, Schmitt U, Hiemke C, Spahn-Langguth H, Langguth P.
Identification of P-glycoprotein substrates and inhibitors among psychoactive compounds--implications for... El Ela AA, Härtter S, Schmitt U, Hiemke C, Spahn-Langguth H, Langguth P.: Identification of P-glycoprotein substrates and inhibitors among psychoactive compounds--implications for pharmacokinetics of selected substrates. J Pharm Pharmacol, Volume 56 (8), 2004 J Pharm Pharmacol 2004 15285840
Total substances: 10
Total passive interactions: 0
Total active interactions: 10
Eliás O, Agai-Csongor E, Domány G, Keserű GM, Gere A,...
Eliás O, Agai-Csongor E, Domány G, Keserű GM, Gere A, Kiss B, Hellinger E, Vastag M, Gyertyán I.
Design of novel multiple-acting ligands towards SERT and 5-HT2C receptors. Eliás O, Agai-Csongor E, Domány G, Keserű GM, Gere A, Kiss B, Hellinger E, Vastag M, Gyertyán I.: Design of novel multiple-acting ligands towards SERT and 5-HT2C receptors. Bioorg Med Chem Lett, Volume 24 (9), 2014 Bioorg Med Chem Lett 2014 24717153
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Éliás O, Nógrádi K, Domány G, Szakács Z, Kóti J,...
Éliás O, Nógrádi K, Domány G, Szakács Z, Kóti J, Szántay C, Tarcsay Á, Keserű GM, Gere A, Kiss B, Kurkó D, Kolok S, Némethy Z, Kapui Z, Hellinger É, Vastag M, Sághy K, Kedves R, Gyertyán I.
The influence of 5-HT(2A) activity on a 5-HT(2C) specific in vivo assay used for early identification of multiple... Éliás O, Nógrádi K, Domány G, Szakács Z, Kóti J, Szántay C, Tarcsay Á, Keserű GM, Gere A, Kiss B, Kurkó D, Kolok S, Némethy Z, Kapui Z, Hellinger É, Vastag M, Sághy K, Kedves R, Gyertyán I.: The influence of 5-HT(2A) activity on a 5-HT(2C) specific in vivo assay used for early identification of multiple acting SERT and 5-HT(2C) receptor ligands. Bioorg Med Chem Lett, Volume 26 (3), 2016 Bioorg Med Chem Lett 2016 26748694
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Elkamhawy A, Park JE, Hassan AHE, Ra H, Pae AN, Lee J, Park...
Elkamhawy A, Park JE, Hassan AHE, Ra H, Pae AN, Lee J, Park BG, Moon B, Park HM, Roh EJ.
Discovery of 1-(3-(benzyloxy)pyridin-2-yl)-3-(2-(piperazin-1-yl)ethyl)urea: A new modulator for amyloid beta-induced... Elkamhawy A, Park JE, Hassan AHE, Ra H, Pae AN, Lee J, Park BG, Moon B, Park HM, Roh EJ.: Discovery of 1-(3-(benzyloxy)pyridin-2-yl)-3-(2-(piperazin-1-yl)ethyl)urea: A new modulator for amyloid beta-induced mitochondrial dysfunction. Eur J Med Chem, Volume 128, 2017 Eur J Med Chem 2017 28152427
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Ellard K, Sunose M, Bell K, Ramsden N, Bergamini G,...
Ellard K, Sunose M, Bell K, Ramsden N, Bergamini G, Neubauer G.
Discovery of novel PI3Kγ/δ inhibitors as potential agents for inflammation. Ellard K, Sunose M, Bell K, Ramsden N, Bergamini G, Neubauer G.: Discovery of novel PI3Kγ/δ inhibitors as potential agents for inflammation. Bioorg Med Chem Lett, Volume 22 (14), 2012 Bioorg Med Chem Lett 2012 22738635
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Eller MG, Schoenwald RD, Dixson JA, Segarra T, Barfknecht...
Eller MG, Schoenwald RD, Dixson JA, Segarra T, Barfknecht CF.
Topical carbonic anhydrase inhibitors. III: Optimization model for corneal penetration of ethoxzolamide analogues. Eller MG, Schoenwald RD, Dixson JA, Segarra T, Barfknecht CF.: Topical carbonic anhydrase inhibitors. III: Optimization model for corneal penetration of ethoxzolamide analogues. J Pharm Sci, Volume 74 (2), 155-160, 1985 J Pharm Sci 1985 3989684
Total substances: 9
Total passive interactions: 9
Total active interactions: 0
Elliot D, Henshaw E, MacFaul PA, Morley AD, Newham P,...
Elliot D, Henshaw E, MacFaul PA, Morley AD, Newham P, Oldham K, Page K, Rankine N, Sharpe P, Ting A, Wood CM.
Novel inhibitors of the alphavbeta3 integrin--lead identification strategy. Elliot D, Henshaw E, MacFaul PA, Morley AD, Newham P, Oldham K, Page K, Rankine N, Sharpe P, Ting A, Wood CM.: Novel inhibitors of the alphavbeta3 integrin--lead identification strategy. Bioorg Med Chem Lett, Volume 19 (16), 2009 Bioorg Med Chem Lett 2009 19574045
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Ellis DA, Blazel JK, Tran CV, Ruebsam F, Murphy DE, Li LS,...
Ellis DA, Blazel JK, Tran CV, Ruebsam F, Murphy DE, Li LS, Zhao J, Zhou Y, McGuire HM, Xiang AX, Webber SE, Zhao Q, Han Q, Kissinger CR, Lardy M, Gobbi A, Showalter RE, Shah AM, Tsan M, Patel RA, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.
5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Ellis DA, Blazel JK, Tran CV, Ruebsam F, Murphy DE, Li LS, Zhao J, Zhou Y, McGuire HM, Xiang AX, Webber SE, Zhao Q, Han Q, Kissinger CR, Lardy M, Gobbi A, Showalter RE, Shah AM, Tsan M, Patel RA, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (21), 2009 Bioorg Med Chem Lett 2009 19796938
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Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun...
Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.
4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV... Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008 Bioorg Med Chem Lett 2008 18662878
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Ellsworth BA, Meng W, Patel M, Girotra RN, Wu G, Sher PM,...
Ellsworth BA, Meng W, Patel M, Girotra RN, Wu G, Sher PM, Hagan DL, Obermeier MT, Humphreys WG, Robertson JG, Wang A, Han S, Waldron TL, Morgan NN, Whaley JM, Washburn WN.
Aglycone exploration of C-arylglucoside inhibitors of renal sodium-dependent glucose transporter SGLT2. Ellsworth BA, Meng W, Patel M, Girotra RN, Wu G, Sher PM, Hagan DL, Obermeier MT, Humphreys WG, Robertson JG, Wang A, Han S, Waldron TL, Morgan NN, Whaley JM, Washburn WN.: Aglycone exploration of C-arylglucoside inhibitors of renal sodium-dependent glucose transporter SGLT2. Bioorg Med Chem Lett, Volume 18 (17), 2008 Bioorg Med Chem Lett 2008 18707880
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Elmedyb P, Olesen SP, Grunnet M.
Elmedyb P, Olesen SP, Grunnet M.
Activation of ERG2 potassium channels by the diphenylurea NS1643. Elmedyb P, Olesen SP, Grunnet M.: Activation of ERG2 potassium channels by the diphenylurea NS1643. Neuropharmacology, Volume 53 (2), 2007 Neuropharmacology 2007 17610913
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Elpelt A, Ivanov D, Nováčková A, Kováčik A, Sochorová...
Elpelt A, Ivanov D, Nováčková A, Kováčik A, Sochorová M, Saeidpour S, Teutloff C, Lohan SB, Lademann J, Vávrová K, Hedtrich S, Meinke MC.
Investigation of TEMPO partitioning in different skin models as measured by EPR spectroscopy - Insight into the stratum... Elpelt A, Ivanov D, Nováčková A, Kováčik A, Sochorová M, Saeidpour S, Teutloff C, Lohan SB, Lademann J, Vávrová K, Hedtrich S, Meinke MC.: Investigation of TEMPO partitioning in different skin models as measured by EPR spectroscopy - Insight into the stratum corneum. J Magn Reson, Volume 310, 106637, 2020 J Magn Reson 2020 31765968
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Elsayed MSA, Nielsen JJ, Park S, Park J, Liu Q, Kim CH,...
Elsayed MSA, Nielsen JJ, Park S, Park J, Liu Q, Kim CH, Pommier Y, Agama K, Low PS, Cushman M.
Application of Sequential Palladium Catalysis for the Discovery of Janus Kinase Inhibitors in the Benzo[ c]pyrrolo[2,3-... Elsayed MSA, Nielsen JJ, Park S, Park J, Liu Q, Kim CH, Pommier Y, Agama K, Low PS, Cushman M.: Application of Sequential Palladium Catalysis for the Discovery of Janus Kinase Inhibitors in the Benzo[ c]pyrrolo[2,3- h][1,6]naphthyridin-5-one (BPN) Series. J Med Chem, Volume 61 (23), 2018 J Med Chem 2018 30460842
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Elworthy TR, Dunn JP, Hogg JH, Lam G, Saito YD, Silva TM,...
Elworthy TR, Dunn JP, Hogg JH, Lam G, Saito YD, Silva TM, Stefanidis D, Woroniecki W, Zhornisky E, Zhou AS, Klumpp K.
Orally bioavailable prodrugs of a BCS class 2 molecule, an inhibitor of HIV-1 reverse transcriptase. Elworthy TR, Dunn JP, Hogg JH, Lam G, Saito YD, Silva TM, Stefanidis D, Woroniecki W, Zhornisky E, Zhou AS, Klumpp K.: Orally bioavailable prodrugs of a BCS class 2 molecule, an inhibitor of HIV-1 reverse transcriptase. Bioorg Med Chem Lett, Volume 18 (24), 2008 Bioorg Med Chem Lett 2008 18993071
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Endo S, Escher BI, Goss KU.
Endo S, Escher BI, Goss KU.
Capacities of membrane lipids to accumulate neutral organic chemicals. Endo S, Escher BI, Goss KU.: Capacities of membrane lipids to accumulate neutral organic chemicals. Environ Sci Technol, Volume 45 (14), 5912-5921, 2011 Environ Sci Technol 2011 21671592
Total substances: 17
Total passive interactions: 17
Total active interactions: 0
Engberg O, Scheidt HA, Nyholm TKM, Slotte JP, Huster D.
Engberg O, Scheidt HA, Nyholm TKM, Slotte JP, Huster D.
Membrane Localization and Lipid Interactions of Common Lipid-Conjugated Fluorescence Probes. Engberg O, Scheidt HA, Nyholm TKM, Slotte JP, Huster D.: Membrane Localization and Lipid Interactions of Common Lipid-Conjugated Fluorescence Probes. Langmuir, Volume 35 (36), 11902-11911, 2019 Langmuir 2019 31424941
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Engel J, Smith S, Lategahn J, Tumbrink HL, Goebel L, Becker...
Engel J, Smith S, Lategahn J, Tumbrink HL, Goebel L, Becker C, Hennes E, Keul M, Unger A, Müller H, Baumann M, Schultz-Fademrecht C, Günther G, Hengstler JG, Rauh D.
Structure-Guided Development of Covalent and Mutant-Selective Pyrazolopyrimidines to Target T790M Drug Resistance in... Engel J, Smith S, Lategahn J, Tumbrink HL, Goebel L, Becker C, Hennes E, Keul M, Unger A, Müller H, Baumann M, Schultz-Fademrecht C, Günther G, Hengstler JG, Rauh D.: Structure-Guided Development of Covalent and Mutant-Selective Pyrazolopyrimidines to Target T790M Drug Resistance in Epidermal Growth Factor Receptor. J Med Chem, Volume 60 (18), 2017 J Med Chem 2017 28853575
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Engel K, Wang J.
Engel K, Wang J.
Interaction of organic cations with a newly identified plasma membrane monoamine transporter. Engel K, Wang J.: Interaction of organic cations with a newly identified plasma membrane monoamine transporter. Mol Pharmacol, Volume 68 (5), 2005 Mol Pharmacol 2005 16099839
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Engelhardt H, Böse D, Petronczki M, Scharn D, Bader G,...
Engelhardt H, Böse D, Petronczki M, Scharn D, Bader G, Baum A, Bergner A, Chong E, Döbel S, Egger G, Engelhardt C, Ettmayer P, Fuchs JE, Gerstberger T, Gonnella N, Grimm A, Grondal E, Haddad N, Hopfgartner B, Kousek R, Krawiec M, Kriz M, Lamarre L, Leung J, Mayer M, Patel ND, Simov BP, Reeves JT, Schnitzer R, Schrenk A, Sharps B, Solca F, Stadtmüller H, Tan Z, Wunberg T, Zoephel A, McConnell DB.
Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. Engelhardt H, Böse D, Petronczki M, Scharn D, Bader G, Baum A, Bergner A, Chong E, Döbel S, Egger G, Engelhardt C, Ettmayer P, Fuchs JE, Gerstberger T, Gonnella N, Grimm A, Grondal E, Haddad N, Hopfgartner B, Kousek R, Krawiec M, Kriz M, Lamarre L, Leung J, Mayer M, Patel ND, Simov BP, Reeves JT, Schnitzer R, Schrenk A, Sharps B, Solca F, Stadtmüller H, Tan Z, Wunberg T, Zoephel A, McConnell DB.: Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J Med Chem, Volume 62 (22), 2019 J Med Chem 2019 31689114
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Engers JL, Rodriguez AL, Konkol LC, Morrison RD, Thompson...
Engers JL, Rodriguez AL, Konkol LC, Morrison RD, Thompson AD, Byers FW, Blobaum AL, Chang S, Venable DF, Loch MT, Niswender CM, Daniels JS, Jones CK, Conn PJ, Lindsley CW, Emmitte KA.
Discovery of a Selective and CNS Penetrant Negative Allosteric Modulator of Metabotropic Glutamate Receptor Subtype 3... Engers JL, Rodriguez AL, Konkol LC, Morrison RD, Thompson AD, Byers FW, Blobaum AL, Chang S, Venable DF, Loch MT, Niswender CM, Daniels JS, Jones CK, Conn PJ, Lindsley CW, Emmitte KA.: Discovery of a Selective and CNS Penetrant Negative Allosteric Modulator of Metabotropic Glutamate Receptor Subtype 3 with Antidepressant and Anxiolytic Activity in Rodents. J Med Chem, Volume 58 (18), 2015 J Med Chem 2015 26335039
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England KS, Tumber A, Krojer T, Scozzafava G, Ng SS, Daniel...
England KS, Tumber A, Krojer T, Scozzafava G, Ng SS, Daniel M, Szykowska A, Che K, von Delft F, Burgess-Brown NA, Kawamura A, Schofield CJ, Brennan PE.
Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11)... England KS, Tumber A, Krojer T, Scozzafava G, Ng SS, Daniel M, Szykowska A, Che K, von Delft F, Burgess-Brown NA, Kawamura A, Schofield CJ, Brennan PE.: Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor. Medchemcomm, Volume 5 (12), 2014 Medchemcomm 2014 26682034
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Enomoto A, Takeda M, Shimoda M, Narikawa S, Kobayashi Y,...
Enomoto A, Takeda M, Shimoda M, Narikawa S, Kobayashi Y, Kobayashi Y, Yamamoto T, Sekine T, Cha SH, Niwa T, Endou H.
Interaction of human organic anion transporters 2 and 4 with organic anion transport inhibitors. Enomoto A, Takeda M, Shimoda M, Narikawa S, Kobayashi Y, Kobayashi Y, Yamamoto T, Sekine T, Cha SH, Niwa T, Endou H.: Interaction of human organic anion transporters 2 and 4 with organic anion transport inhibitors. J Pharmacol Exp Ther, Volume 301 (3), 2002 J Pharmacol Exp Ther 2002 12023506
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Enomoto A, Wempe MF, Tsuchida H, Shin HJ, Cha SH, Anzai N,...
Enomoto A, Wempe MF, Tsuchida H, Shin HJ, Cha SH, Anzai N, Goto A, Sakamoto A, Niwa T, Kanai Y, Anders MW, Endou H.
Molecular identification of a novel carnitine transporter specific to human testis. Insights into the mechanism of... Enomoto A, Wempe MF, Tsuchida H, Shin HJ, Cha SH, Anzai N, Goto A, Sakamoto A, Niwa T, Kanai Y, Anders MW, Endou H.: Molecular identification of a novel carnitine transporter specific to human testis. Insights into the mechanism of carnitine recognition. J Biol Chem, Volume 277 (39), 2002 J Biol Chem 2002 12089149
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Ensan D, Smil D, Zepeda-Velázquez CA, Panagopoulos D, Wong...
Ensan D, Smil D, Zepeda-Velázquez CA, Panagopoulos D, Wong JF, Williams EP, Adamson R, Bullock AN, Kiyota T, Aman A, Roberts OG, Edwards AM, O'Meara JA, Isaac MB, Al-Awar R.
Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine... Ensan D, Smil D, Zepeda-Velázquez CA, Panagopoulos D, Wong JF, Williams EP, Adamson R, Bullock AN, Kiyota T, Aman A, Roberts OG, Edwards AM, O'Meara JA, Isaac MB, Al-Awar R.: Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J Med Chem, Volume 63 (9), 2020 J Med Chem 2020 32369358
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Enyedy IJ, Sakamuri S, Zaman WA, Johnson KM, Wang S.
Enyedy IJ, Sakamuri S, Zaman WA, Johnson KM, Wang S.
Pharmacophore-based discovery of substituted pyridines as novel dopamine transporter inhibitors. Enyedy IJ, Sakamuri S, Zaman WA, Johnson KM, Wang S.: Pharmacophore-based discovery of substituted pyridines as novel dopamine transporter inhibitors. Bioorg Med Chem Lett, Volume 13 (3), 2003 Bioorg Med Chem Lett 2003 12565962
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Erickson JD, Schafer MK, Bonner TI, Eiden LE, Weihe E.
Erickson JD, Schafer MK, Bonner TI, Eiden LE, Weihe E.
Distinct pharmacological properties and distribution in neurons and endocrine cells of two isoforms of the human... Erickson JD, Schafer MK, Bonner TI, Eiden LE, Weihe E.: Distinct pharmacological properties and distribution in neurons and endocrine cells of two isoforms of the human vesicular monoamine transporter. Proc Natl Acad Sci U S A, Volume 93 (10), 1996 Proc Natl Acad Sci U S A 1996 8643547
Total substances: 3
Total passive interactions: 0
Total active interactions: 4
Ernst JT, Thompson PA, Nilewski C, Sprengeler PA, Sperry S,...
Ernst JT, Thompson PA, Nilewski C, Sprengeler PA, Sperry S, Packard G, Michels T, Xiang A, Tran C, Wegerski CJ, Eam B, Young NP, Fish S, Chen J, Howard H, Staunton J, Molter J, Clarine J, Nevarez A, Chiang GG, Appleman JR, Webster KR, Reich SH.
Design of Development Candidate eFT226, a First in Class Inhibitor of Eukaryotic Initiation Factor 4A RNA Helicase. Ernst JT, Thompson PA, Nilewski C, Sprengeler PA, Sperry S, Packard G, Michels T, Xiang A, Tran C, Wegerski CJ, Eam B, Young NP, Fish S, Chen J, Howard H, Staunton J, Molter J, Clarine J, Nevarez A, Chiang GG, Appleman JR, Webster KR, Reich SH.: Design of Development Candidate eFT226, a First in Class Inhibitor of Eukaryotic Initiation Factor 4A RNA Helicase. J Med Chem, Volume 63 (11), 2020 J Med Chem 2020 32470302
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Erra M, Taltavull J, Bernal FJ, Caturla JF, Carrascal M,...
Erra M, Taltavull J, Bernal FJ, Caturla JF, Carrascal M, Pagès L, Mir M, Espinosa S, Gràcia J, Domínguez M, Sabaté M, Paris S, Maldonado M, Hernández B, Bravo M, Calama E, Miralpeix M, Lehner MD, Calbet M.
Discovery of a Novel Inhaled PI3Kδ Inhibitor for the Treatment of Respiratory Diseases. Erra M, Taltavull J, Bernal FJ, Caturla JF, Carrascal M, Pagès L, Mir M, Espinosa S, Gràcia J, Domínguez M, Sabaté M, Paris S, Maldonado M, Hernández B, Bravo M, Calama E, Miralpeix M, Lehner MD, Calbet M.: Discovery of a Novel Inhaled PI3Kδ Inhibitor for the Treatment of Respiratory Diseases. J Med Chem, Volume 61 (21), 2018 J Med Chem 2018 30351000
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Erra M, Taltavull J, Gréco A, Bernal FJ, Caturla JF,...
Erra M, Taltavull J, Gréco A, Bernal FJ, Caturla JF, Gràcia J, Domínguez M, Sabaté M, Paris S, Soria S, Hernández B, Armengol C, Cabedo J, Bravo M, Calama E, Miralpeix M, Lehner MD.
Discovery of a Potent, Selective, and Orally Available PI3Kδ Inhibitor for the Treatment of Inflammatory Diseases. Erra M, Taltavull J, Gréco A, Bernal FJ, Caturla JF, Gràcia J, Domínguez M, Sabaté M, Paris S, Soria S, Hernández B, Armengol C, Cabedo J, Bravo M, Calama E, Miralpeix M, Lehner MD.: Discovery of a Potent, Selective, and Orally Available PI3Kδ Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, Volume 8 (1), 2017 ACS Med Chem Lett 2017 28105286
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Escobar Z, Bjartell A, Canesin G, Evans-Axelsson S, Sterner...
Escobar Z, Bjartell A, Canesin G, Evans-Axelsson S, Sterner O, Hellsten R, Johansson MH.
Preclinical Characterization of 3β-(N-Acetyl l-cysteine methyl ester)-2aβ,3-dihydrogaliellalactone (GPA512), a... Escobar Z, Bjartell A, Canesin G, Evans-Axelsson S, Sterner O, Hellsten R, Johansson MH.: Preclinical Characterization of 3β-(N-Acetyl l-cysteine methyl ester)-2aβ,3-dihydrogaliellalactone (GPA512), a Prodrug of a Direct STAT3 Inhibitor for the Treatment of Prostate Cancer. J Med Chem, Volume 59 (10), 2016 J Med Chem 2016 27111731
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Essodaigui M, Broxterman HJ, Garnier-Suillerot A.
Essodaigui M, Broxterman HJ, Garnier-Suillerot A.
Kinetic analysis of calcein and calcein-acetoxymethylester efflux mediated by the multidrug resistance protein and... Essodaigui M, Broxterman HJ, Garnier-Suillerot A.: Kinetic analysis of calcein and calcein-acetoxymethylester efflux mediated by the multidrug resistance protein and P-glycoprotein. Biochemistry, Volume 37 (8), 1998 Biochemistry 1998 9485370
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Esteve C, González J, Gual S, Vidal L, Alzina S, Sentellas...
Esteve C, González J, Gual S, Vidal L, Alzina S, Sentellas S, Jover I, Horrillo R, De Alba J, Miralpeix M, Tarrasón G, Vidal B.
Discovery of 7-azaindole derivatives as potent Orai inhibitors showing efficacy in a preclinical model of asthma. Esteve C, González J, Gual S, Vidal L, Alzina S, Sentellas S, Jover I, Horrillo R, De Alba J, Miralpeix M, Tarrasón G, Vidal B.: Discovery of 7-azaindole derivatives as potent Orai inhibitors showing efficacy in a preclinical model of asthma. Bioorg Med Chem Lett, Volume 25 (6), 2015 Bioorg Med Chem Lett 2015 25690784
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Estrada AA, Liu X, Baker-Glenn C, Beresford A, Burdick DJ,...
Estrada AA, Liu X, Baker-Glenn C, Beresford A, Burdick DJ, Chambers M, Chan BK, Chen H, Ding X, DiPasquale AG, Dominguez SL, Dotson J, Drummond J, Flagella M, Flynn S, Fuji R, Gill A, Gunzner-Toste J, Harris SF, Heffron TP, Kleinheinz T, Lee DW, Le Pichon CE, Lyssikatos JP, Medhurst AD, Moffat JG, Mukund S, Nash K, Scearce-Levie K, Sheng Z, Shore DG, Tran T, Trivedi N, Wang S, Zhang S, Zhang X, Zhao G, Zhu H, Sweeney ZK.
Discovery of highly potent, selective, and brain-penetrable leucine-rich repeat kinase 2 (LRRK2) small molecule... Estrada AA, Liu X, Baker-Glenn C, Beresford A, Burdick DJ, Chambers M, Chan BK, Chen H, Ding X, DiPasquale AG, Dominguez SL, Dotson J, Drummond J, Flagella M, Flynn S, Fuji R, Gill A, Gunzner-Toste J, Harris SF, Heffron TP, Kleinheinz T, Lee DW, Le Pichon CE, Lyssikatos JP, Medhurst AD, Moffat JG, Mukund S, Nash K, Scearce-Levie K, Sheng Z, Shore DG, Tran T, Trivedi N, Wang S, Zhang S, Zhang X, Zhao G, Zhu H, Sweeney ZK.: Discovery of highly potent, selective, and brain-penetrable leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors. J Med Chem, Volume 55 (22), 2012 J Med Chem 2012 22985112
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Estrada Valencia M, Herrera-Arozamena C, de Andrés L,...
Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.
Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in... Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018 Eur J Med Chem 2018 30025348
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Etoga JL, Ahmed SK, Patel S, Bridges RJ, Thompson CM.
Etoga JL, Ahmed SK, Patel S, Bridges RJ, Thompson CM.
Conformationally-restricted amino acid analogues bearing a distal sulfonic acid show selective inhibition of system... Etoga JL, Ahmed SK, Patel S, Bridges RJ, Thompson CM.: Conformationally-restricted amino acid analogues bearing a distal sulfonic acid show selective inhibition of system x(c)(-) over the vesicular glutamate transporter. Bioorg Med Chem Lett, Volume 20 (8), 2010 Bioorg Med Chem Lett 2010 20303751
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Ettari R, Micale N, Schirmeister T, Gelhaus C, Leippe M,...
Ettari R, Micale N, Schirmeister T, Gelhaus C, Leippe M, Nizi E, Di Francesco ME, Grasso S, Zappalà M.
Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. Ettari R, Micale N, Schirmeister T, Gelhaus C, Leippe M, Nizi E, Di Francesco ME, Grasso S, Zappalà M.: Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. J Med Chem, Volume 52 (7), 2009 J Med Chem 2009 19296600
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Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C,...
Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C, Altamura M, Catalioto RM, Giuliani S, Maggi CA, Fattori D.
hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C, Altamura M, Catalioto RM, Giuliani S, Maggi CA, Fattori D.: hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. Bioorg Med Chem Lett, Volume 21 (6), 2011 Bioorg Med Chem Lett 2011 21320781
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Evans CA, Liu T, Lescarbeau A, Nair SJ, Grenier L,...
Evans CA, Liu T, Lescarbeau A, Nair SJ, Grenier L, Pradeilles JA, Glenadel Q, Tibbitts T, Rowley AM, DiNitto JP, Brophy EE, O'Hearn EL, Ali JA, Winkler DG, Goldstein SI, O'Hearn P, Martin CM, Hoyt JG, Soglia JR, Cheung C, Pink MM, Proctor JL, Palombella VJ, Tremblay MR, Castro AC.
Discovery of a Selective Phosphoinositide-3-Kinase (PI3K)-γ Inhibitor (IPI-549) as an Immuno-Oncology Clinical... Evans CA, Liu T, Lescarbeau A, Nair SJ, Grenier L, Pradeilles JA, Glenadel Q, Tibbitts T, Rowley AM, DiNitto JP, Brophy EE, O'Hearn EL, Ali JA, Winkler DG, Goldstein SI, O'Hearn P, Martin CM, Hoyt JG, Soglia JR, Cheung C, Pink MM, Proctor JL, Palombella VJ, Tremblay MR, Castro AC.: Discovery of a Selective Phosphoinositide-3-Kinase (PI3K)-γ Inhibitor (IPI-549) as an Immuno-Oncology Clinical Candidate. ACS Med Chem Lett, Volume 7 (9), 2016 ACS Med Chem Lett 2016 27660692
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Evans KA, Budzik BW, Ross SA, Wisnoski DD, Jin J, Rivero...
Evans KA, Budzik BW, Ross SA, Wisnoski DD, Jin J, Rivero RA, Vimal M, Szewczyk GR, Jayawickreme C, Moncol DL, Rimele TJ, Armour SL, Weaver SP, Griffin RJ, Tadepalli SM, Jeune MR, Shearer TW, Chen ZB, Chen L, Anderson DL, Becherer JD, De Los Frailes M, Colilla FJ.
Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists. Evans KA, Budzik BW, Ross SA, Wisnoski DD, Jin J, Rivero RA, Vimal M, Szewczyk GR, Jayawickreme C, Moncol DL, Rimele TJ, Armour SL, Weaver SP, Griffin RJ, Tadepalli SM, Jeune MR, Shearer TW, Chen ZB, Chen L, Anderson DL, Becherer JD, De Los Frailes M, Colilla FJ.: Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists. J Med Chem, Volume 52 (24), 2009 J Med Chem 2009 19902954
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Evenäs J, Edfeldt F, Lepistö M, Svitacheva N, Synnergren...
Evenäs J, Edfeldt F, Lepistö M, Svitacheva N, Synnergren A, Lundquist B, Gränse M, Rönnholm A, Varga M, Wright J, Wei M, Yue S, Wang J, Li C, Li X, Chen G, Liao Y, Lv G, Tjörnebo A, Narjes F.
HTS followed by NMR based counterscreening. Discovery and optimization of pyrimidones as reversible and competitive... Evenäs J, Edfeldt F, Lepistö M, Svitacheva N, Synnergren A, Lundquist B, Gränse M, Rönnholm A, Varga M, Wright J, Wei M, Yue S, Wang J, Li C, Li X, Chen G, Liao Y, Lv G, Tjörnebo A, Narjes F.: HTS followed by NMR based counterscreening. Discovery and optimization of pyrimidones as reversible and competitive inhibitors of xanthine oxidase. Bioorg Med Chem Lett, Volume 24 (5), 2014 Bioorg Med Chem Lett 2014 24508129
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Evtodienko VY, Bondarenko DI, Antonenko YN.
Evtodienko VY, Bondarenko DI, Antonenko YN.
Permeation of dicarboxylic acids with different terminal position of two carboxylic groups through planar bilayer lipid... Evtodienko VY, Bondarenko DI, Antonenko YN.: Permeation of dicarboxylic acids with different terminal position of two carboxylic groups through planar bilayer lipid membranes. Biochim Biophys Acta, Volume 1420 (1-2), 1999 Biochim Biophys Acta 1999 10446294
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Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S,...
Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.
A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014 J Control Release 2014 24211703
Total substances: 7
Total passive interactions: 7
Total active interactions: 0
Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El...
Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.
A peptide prodrug approach for improving bisphosphonate oral absorption. Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000 J Med Chem 2000 11020278
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Fabio K, Guillon C, Lacey CJ, Lu SF, Heindel ND, Ferris CF,...
Fabio K, Guillon C, Lacey CJ, Lu SF, Heindel ND, Ferris CF, Placzek M, Jones G, Brownstein MJ, Simon NG.
Synthesis and evaluation of potent and selective human V1a receptor antagonists as potential ligands for PET or SPECT... Fabio K, Guillon C, Lacey CJ, Lu SF, Heindel ND, Ferris CF, Placzek M, Jones G, Brownstein MJ, Simon NG.: Synthesis and evaluation of potent and selective human V1a receptor antagonists as potential ligands for PET or SPECT imaging. Bioorg Med Chem, Volume 20 (3), 2012 Bioorg Med Chem 2012 22249122
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Fabritius CH, Pesonen U, Messinger J, Horvath R, Salo H,...
Fabritius CH, Pesonen U, Messinger J, Horvath R, Salo H, Gałęzowski M, Galek M, Stefańska K, Szeremeta-Spisak J, Olszak-Płachta M, Buda A, Adamczyk J, Król M, Prusis P, Sieprawska-Lupa M, Mikulski M, Kuokkanen K, Chapman H, Obuchowicz R, Korjamo T, Jalava N, Nowak M.
1-Sulfonyl-6-Piperazinyl-7-Azaindoles as potent and pseudo-selective 5-HT6 receptor antagonists. Fabritius CH, Pesonen U, Messinger J, Horvath R, Salo H, Gałęzowski M, Galek M, Stefańska K, Szeremeta-Spisak J, Olszak-Płachta M, Buda A, Adamczyk J, Król M, Prusis P, Sieprawska-Lupa M, Mikulski M, Kuokkanen K, Chapman H, Obuchowicz R, Korjamo T, Jalava N, Nowak M.: 1-Sulfonyl-6-Piperazinyl-7-Azaindoles as potent and pseudo-selective 5-HT6 receptor antagonists. Bioorg Med Chem Lett, Volume 26 (11), 2016 Bioorg Med Chem Lett 2016 27117428
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Fader L, Brault M, Desjardins J, Dansereau N, Lamorte L,...
Fader L, Brault M, Desjardins J, Dansereau N, Lamorte L, Tremblay S, Bilodeau F, Bordeleau J, Duplessis M, Gorys V, Gillard J, Gleason JL, James C, Joly MA, Kuhn C, Llinas-Brunet M, Luo L, Morency L, Morin S, Parisien M, Poirier M, Thibeault C, Trinh T, Sturino C, Srivastava S, Yoakim C, Franti M.
Discovery of Potent, Orally Bioavailable Inhibitors of Human Cytomegalovirus. Fader L, Brault M, Desjardins J, Dansereau N, Lamorte L, Tremblay S, Bilodeau F, Bordeleau J, Duplessis M, Gorys V, Gillard J, Gleason JL, James C, Joly MA, Kuhn C, Llinas-Brunet M, Luo L, Morency L, Morin S, Parisien M, Poirier M, Thibeault C, Trinh T, Sturino C, Srivastava S, Yoakim C, Franti M.: Discovery of Potent, Orally Bioavailable Inhibitors of Human Cytomegalovirus. ACS Med Chem Lett, Volume 7 (5), 2016 ACS Med Chem Lett 2016 27190604
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Fader LD, Bailey M, Beaulieu E, Bilodeau F, Bonneau P,...
Fader LD, Bailey M, Beaulieu E, Bilodeau F, Bonneau P, Bousquet Y, Carson RJ, Chabot C, Coulombe R, Duan J, Fenwick C, Garneau M, Halmos T, Jakalian A, James C, Kawai SH, Landry S, LaPlante SR, Mason SW, Morin S, Rioux N, Simoneau B, Surprenant S, Thavonekham B, Thibeault C, Trinh T, Tsantrizos Y, Tsoung J, Yoakim C, Wernic D.
Aligning Potency and Pharmacokinetic Properties for Pyridine-Based NCINIs. Fader LD, Bailey M, Beaulieu E, Bilodeau F, Bonneau P, Bousquet Y, Carson RJ, Chabot C, Coulombe R, Duan J, Fenwick C, Garneau M, Halmos T, Jakalian A, James C, Kawai SH, Landry S, LaPlante SR, Mason SW, Morin S, Rioux N, Simoneau B, Surprenant S, Thavonekham B, Thibeault C, Trinh T, Tsantrizos Y, Tsoung J, Yoakim C, Wernic D.: Aligning Potency and Pharmacokinetic Properties for Pyridine-Based NCINIs. ACS Med Chem Lett, Volume 7 (8), 2016 ACS Med Chem Lett 2016 27563405
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Fader LD, Carson R, Morin S, Bilodeau F, Chabot C, Halmos...
Fader LD, Carson R, Morin S, Bilodeau F, Chabot C, Halmos T, Bailey MD, Kawai SH, Coulombe R, Laplante S, Mekhssian K, Jakalian A, Garneau M, Duan J, Mason SW, Simoneau B, Fenwick C, Tsantrizos Y, Yoakim C.
Minimizing the Contribution of Enterohepatic Recirculation to Clearance in Rat for the NCINI Class of Inhibitors of HIV. Fader LD, Carson R, Morin S, Bilodeau F, Chabot C, Halmos T, Bailey MD, Kawai SH, Coulombe R, Laplante S, Mekhssian K, Jakalian A, Garneau M, Duan J, Mason SW, Simoneau B, Fenwick C, Tsantrizos Y, Yoakim C.: Minimizing the Contribution of Enterohepatic Recirculation to Clearance in Rat for the NCINI Class of Inhibitors of HIV. ACS Med Chem Lett, Volume 5 (6), 2014 ACS Med Chem Lett 2014 24944749
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Fader LD, Landry S, Goulet S, Morin S, Kawai SH, Bousquet...
Fader LD, Landry S, Goulet S, Morin S, Kawai SH, Bousquet Y, Dion I, Hucke O, Goudreau N, Lemke CT, Rancourt J, Bonneau P, Titolo S, Amad M, Garneau M, Duan J, Mason S, Simoneau B.
Optimization of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of HIV capsid assembly inhibitors 2:... Fader LD, Landry S, Goulet S, Morin S, Kawai SH, Bousquet Y, Dion I, Hucke O, Goudreau N, Lemke CT, Rancourt J, Bonneau P, Titolo S, Amad M, Garneau M, Duan J, Mason S, Simoneau B.: Optimization of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of HIV capsid assembly inhibitors 2: structure-activity relationships (SAR) of the C3-phenyl moiety. Bioorg Med Chem Lett, Volume 23 (11), 2013 Bioorg Med Chem Lett 2013 23601710
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Fader LD, Malenfant E, Parisien M, Carson R, Bilodeau F,...
Fader LD, Malenfant E, Parisien M, Carson R, Bilodeau F, Landry S, Pesant M, Brochu C, Morin S, Chabot C, Halmos T, Bousquet Y, Bailey MD, Kawai SH, Coulombe R, LaPlante S, Jakalian A, Bhardwaj PK, Wernic D, Schroeder P, Amad M, Edwards P, Garneau M, Duan J, Cordingley M, Bethell R, Mason SW, Bös M, Bonneau P, Poupart MA, Faucher AM, Simoneau B, Fenwick C, Yoakim C, Tsantrizos Y.
Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1. Fader LD, Malenfant E, Parisien M, Carson R, Bilodeau F, Landry S, Pesant M, Brochu C, Morin S, Chabot C, Halmos T, Bousquet Y, Bailey MD, Kawai SH, Coulombe R, LaPlante S, Jakalian A, Bhardwaj PK, Wernic D, Schroeder P, Amad M, Edwards P, Garneau M, Duan J, Cordingley M, Bethell R, Mason SW, Bös M, Bonneau P, Poupart MA, Faucher AM, Simoneau B, Fenwick C, Yoakim C, Tsantrizos Y.: Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1. ACS Med Chem Lett, Volume 5 (4), 2014 ACS Med Chem Lett 2014 24900852
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Fagan V, Johansson C, Gileadi C, Monteiro O, Dunford JE,...
Fagan V, Johansson C, Gileadi C, Monteiro O, Dunford JE, Nibhani R, Philpott M, Malzahn J, Wells G, Faram R, Cribbs AP, Halidi N, Li F, Chau I, Greschik H, Velupillai S, Allali-Hassani A, Bennett J, Christott T, Giroud C, Lewis AM, Huber KVM, Athanasou N, Bountra C, Jung M, Schüle R, Vedadi M, Arrowsmith C, Xiong Y, Jin J, Fedorov O, Farnie G, Brennan PE, Oppermann U.
A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. Fagan V, Johansson C, Gileadi C, Monteiro O, Dunford JE, Nibhani R, Philpott M, Malzahn J, Wells G, Faram R, Cribbs AP, Halidi N, Li F, Chau I, Greschik H, Velupillai S, Allali-Hassani A, Bennett J, Christott T, Giroud C, Lewis AM, Huber KVM, Athanasou N, Bountra C, Jung M, Schüle R, Vedadi M, Arrowsmith C, Xiong Y, Jin J, Fedorov O, Farnie G, Brennan PE, Oppermann U.: A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J Med Chem, Volume 62 (20), 2019 J Med Chem 2019 31550156
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Faghih R, Dwight W, Pan JB, Fox GB, Krueger KM, Esbenshade...
Faghih R, Dwight W, Pan JB, Fox GB, Krueger KM, Esbenshade TA, McVey JM, Marsh K, Bennani YL, Hancock AA.
Synthesis and SAR of aminoalkoxy-biaryl-4-carboxamides: novel and selective histamine H3 receptor antagonists. Faghih R, Dwight W, Pan JB, Fox GB, Krueger KM, Esbenshade TA, McVey JM, Marsh K, Bennani YL, Hancock AA.: Synthesis and SAR of aminoalkoxy-biaryl-4-carboxamides: novel and selective histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (7), 2003 Bioorg Med Chem Lett 2003 12657274
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Fagundez C, Sellanes D, Peña S, Scarone L, Aguiar ACC, de...
Fagundez C, Sellanes D, Peña S, Scarone L, Aguiar ACC, de Souza JO, Guido RVC, Stewart L, Yardley V, Ottilie S, Winzeler EA, Gamo FJ, Sanz LM, Serra GL.
Synthesis, Profiling, and in Vivo Evaluation of Cyclopeptides Containing N-Methyl Amino Acids as Antiplasmodial... Fagundez C, Sellanes D, Peña S, Scarone L, Aguiar ACC, de Souza JO, Guido RVC, Stewart L, Yardley V, Ottilie S, Winzeler EA, Gamo FJ, Sanz LM, Serra GL.: Synthesis, Profiling, and in Vivo Evaluation of Cyclopeptides Containing N-Methyl Amino Acids as Antiplasmodial Agents. ACS Med Chem Lett, Volume 10 (1), 2019 ACS Med Chem Lett 2019 30655961
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Fahrmayr C, König J, Auge D, Mieth M, Fromm MF.
Fahrmayr C, König J, Auge D, Mieth M, Fromm MF.
Identification of drugs and drug metabolites as substrates of multidrug resistance protein 2 (MRP2) using... Fahrmayr C, König J, Auge D, Mieth M, Fromm MF.: Identification of drugs and drug metabolites as substrates of multidrug resistance protein 2 (MRP2) using triple-transfected MDCK-OATP1B1-UGT1A1-MRP2 cells. Br J Pharmacol, Volume 165 (6), 2012 Br J Pharmacol 2012 21923755
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Fairhurst RA, Gerspacher M, Imbach-Weese P, Mah R,...
Fairhurst RA, Gerspacher M, Imbach-Weese P, Mah R, Caravatti G, Furet P, Fritsch C, Schnell C, Blanz J, Blasco F, Desrayaud S, Guthy DA, Knapp M, Arz D, Wirth J, Roehn-Carnemolla E, Luu VH.
Identification and optimisation of 4,5-dihydrobenzo[1,2-d:3,4-d]bisthiazole and 4,5-dihydrothiazolo[4,5-h]quinazoline... Fairhurst RA, Gerspacher M, Imbach-Weese P, Mah R, Caravatti G, Furet P, Fritsch C, Schnell C, Blanz J, Blasco F, Desrayaud S, Guthy DA, Knapp M, Arz D, Wirth J, Roehn-Carnemolla E, Luu VH.: Identification and optimisation of 4,5-dihydrobenzo[1,2-d:3,4-d]bisthiazole and 4,5-dihydrothiazolo[4,5-h]quinazoline series of selective phosphatidylinositol-3 kinase alpha inhibitors. Bioorg Med Chem Lett, Volume 25 (17), 2015 Bioorg Med Chem Lett 2015 26199119
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Fairhurst RA, Imbach-Weese P, Gerspacher M, Caravatti G,...
Fairhurst RA, Imbach-Weese P, Gerspacher M, Caravatti G, Furet P, Zoller T, Fritsch C, Haasen D, Trappe J, Guthy DA, Arz D, Wirth J.
Identification and optimisation of a 4',5-bisthiazole series of selective phosphatidylinositol-3 kinase alpha... Fairhurst RA, Imbach-Weese P, Gerspacher M, Caravatti G, Furet P, Zoller T, Fritsch C, Haasen D, Trappe J, Guthy DA, Arz D, Wirth J.: Identification and optimisation of a 4',5-bisthiazole series of selective phosphatidylinositol-3 kinase alpha inhibitors. Bioorg Med Chem Lett, Volume 25 (17), 2015 Bioorg Med Chem Lett 2015 26206504
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Fairhurst RA, Knoepfel T, Buschmann N, Leblanc C, Mah R,...
Fairhurst RA, Knoepfel T, Buschmann N, Leblanc C, Mah R, Todorov M, Nimsgern P, Ripoche S, Niklaus M, Warin N, Luu VH, Madoerin M, Wirth J, Graus-Porta D, Weiss A, Kiffe M, Wartmann M, Kinyamu-Akunda J, Sterker D, Stamm C, Adler F, Buhles A, Schadt H, Couttet P, Blank J, Galuba I, Trappe J, Voshol J, Ostermann N, Zou C, Berghausen J, Del Rio Espinola A, Jahnke W, Furet P.
Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor... Fairhurst RA, Knoepfel T, Buschmann N, Leblanc C, Mah R, Todorov M, Nimsgern P, Ripoche S, Niklaus M, Warin N, Luu VH, Madoerin M, Wirth J, Graus-Porta D, Weiss A, Kiffe M, Wartmann M, Kinyamu-Akunda J, Sterker D, Stamm C, Adler F, Buhles A, Schadt H, Couttet P, Blank J, Galuba I, Trappe J, Voshol J, Ostermann N, Zou C, Berghausen J, Del Rio Espinola A, Jahnke W, Furet P.: Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4. J Med Chem, Volume 63 (21), 2020 J Med Chem 2020 32930584
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Fairhurst RA, Marsilje TH, Stutz S, Boos A, Niklaus M, Chen...
Fairhurst RA, Marsilje TH, Stutz S, Boos A, Niklaus M, Chen B, Jiang S, Lu W, Furet P, McCarthy C, Stauffer F, Guagnano V, Vaupel A, Michellys PY, Schnell C, Jeay S.
Optimisation of a 5-[3-phenyl-(2-cyclic-ether)-methyl-ether]-4-aminopyrrolopyrimidine series of IGF-1R inhibitors. Fairhurst RA, Marsilje TH, Stutz S, Boos A, Niklaus M, Chen B, Jiang S, Lu W, Furet P, McCarthy C, Stauffer F, Guagnano V, Vaupel A, Michellys PY, Schnell C, Jeay S.: Optimisation of a 5-[3-phenyl-(2-cyclic-ether)-methyl-ether]-4-aminopyrrolopyrimidine series of IGF-1R inhibitors. Bioorg Med Chem Lett, Volume 26 (8), 2016 Bioorg Med Chem Lett 2016 26951753
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Falconer RA, Toth I.
Falconer RA, Toth I.
Design, synthesis and biological evaluation of novel lipoamino acid-based glycolipids for oral drug delivery. Falconer RA, Toth I.: Design, synthesis and biological evaluation of novel lipoamino acid-based glycolipids for oral drug delivery. Bioorg Med Chem, Volume 15 (22), 2007 Bioorg Med Chem 2007 17851079
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Fallica AN, Sorrenti V, D'Amico AG, Salerno L, Romeo G,...
Fallica AN, Sorrenti V, D'Amico AG, Salerno L, Romeo G, Intagliata S, Consoli V, Floresta G, Rescifina A, D'Agata V, Vanella L, Pittalà V.
Discovery of Novel Acetamide-Based Heme Oxygenase-1 Inhibitors with Potent In Vitro Antiproliferative Activity. Fallica AN, Sorrenti V, D'Amico AG, Salerno L, Romeo G, Intagliata S, Consoli V, Floresta G, Rescifina A, D'Agata V, Vanella L, Pittalà V.: Discovery of Novel Acetamide-Based Heme Oxygenase-1 Inhibitors with Potent In Vitro Antiproliferative Activity. J Med Chem, Volume 64 (18), 2021 J Med Chem 2021 34472337
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Famiglini V, La Regina G, Coluccia A, Pelliccia S, Brancale...
Famiglini V, La Regina G, Coluccia A, Pelliccia S, Brancale A, Maga G, Crespan E, Badia R, Riveira-Muñoz E, Esté JA, Ferretti R, Cirilli R, Zamperini C, Botta M, Schols D, Limongelli V, Agostino B, Novellino E, Silvestri R.
Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse... Famiglini V, La Regina G, Coluccia A, Pelliccia S, Brancale A, Maga G, Crespan E, Badia R, Riveira-Muñoz E, Esté JA, Ferretti R, Cirilli R, Zamperini C, Botta M, Schols D, Limongelli V, Agostino B, Novellino E, Silvestri R.: Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors. J Med Chem, Volume 57 (23), 2014 J Med Chem 2014 25418038
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Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I,...
Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.
Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008 Bioorg Med Chem Lett 2008 18926699
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Fang T, Corte JR, Gilligan PJ, Jeon Y, Osuna H, Rossi KA,...
Fang T, Corte JR, Gilligan PJ, Jeon Y, Osuna H, Rossi KA, Myers JE, Sheriff S, Lou Z, Zheng JJ, Harper TW, Bozarth JM, Wu Y, Luettgen JM, Seiffert DA, Wexler RR, Lam PYS.
Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Fang T, Corte JR, Gilligan PJ, Jeon Y, Osuna H, Rossi KA, Myers JE, Sheriff S, Lou Z, Zheng JJ, Harper TW, Bozarth JM, Wu Y, Luettgen JM, Seiffert DA, Wexler RR, Lam PYS.: Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg Med Chem Lett, Volume 30 (4), 2020 Bioorg Med Chem Lett 2020 31932224
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Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.
Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.
Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the... Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018 Eur J Med Chem 2018 29499485
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Fang Y, Zhou H, Gu Q, Xu J.
Fang Y, Zhou H, Gu Q, Xu J.
Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of... Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019 Eur J Med Chem 2019 30771601
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Fantini M, Rivara M, Zuliani V, Kalmar CL, Vacondio F,...
Fantini M, Rivara M, Zuliani V, Kalmar CL, Vacondio F, Silva C, Baheti AR, Singh N, Merrick EC, Katari RS, Cocconcelli G, Ghiron C, Patel MK.
2,4(5)-diarylimidazoles as inhibitors of hNaV1.2 sodium channels: pharmacological evaluation and structure-property... Fantini M, Rivara M, Zuliani V, Kalmar CL, Vacondio F, Silva C, Baheti AR, Singh N, Merrick EC, Katari RS, Cocconcelli G, Ghiron C, Patel MK.: 2,4(5)-diarylimidazoles as inhibitors of hNaV1.2 sodium channels: pharmacological evaluation and structure-property relationships. Bioorg Med Chem, Volume 17 (10), 2009 Bioorg Med Chem 2009 19394229
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Farand J, Kropf JE, Blomgren P, Xu J, Schmitt AC, Newby ZE,...
Farand J, Kropf JE, Blomgren P, Xu J, Schmitt AC, Newby ZE, Wang T, Murakami E, Barauskas O, Sudhamsu J, Feng JY, Niedziela-Majka A, Schultz BE, Schwartz K, Viatchenko-Karpinski S, Kornyeyev D, Kashishian A, Fan P, Chen X, Lansdon EB, Ports MO, Currie KS, Watkins WJ, Notte GT.
Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Farand J, Kropf JE, Blomgren P, Xu J, Schmitt AC, Newby ZE, Wang T, Murakami E, Barauskas O, Sudhamsu J, Feng JY, Niedziela-Majka A, Schultz BE, Schwartz K, Viatchenko-Karpinski S, Kornyeyev D, Kashishian A, Fan P, Chen X, Lansdon EB, Ports MO, Currie KS, Watkins WJ, Notte GT.: Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. ACS Med Chem Lett, Volume 11 (3), 2020 ACS Med Chem Lett 2020 32184970
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Farand J, Mai N, Chandrasekhar J, Newby ZE, Van Veldhuizen...
Farand J, Mai N, Chandrasekhar J, Newby ZE, Van Veldhuizen J, Loyer-Drew J, Venkataramani C, Guerrero J, Kwok A, Li N, Zherebina Y, Wilbert S, Zablocki J, Phillips G, Watkins WJ, Mourey R, Notte GT.
Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency. Farand J, Mai N, Chandrasekhar J, Newby ZE, Van Veldhuizen J, Loyer-Drew J, Venkataramani C, Guerrero J, Kwok A, Li N, Zherebina Y, Wilbert S, Zablocki J, Phillips G, Watkins WJ, Mourey R, Notte GT.: Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency. Bioorg Med Chem Lett, Volume 26 (24), 2016 Bioorg Med Chem Lett 2016 27876318
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Farrell TL, Poquet L, Dew TP, Barber S, Williamson G.
Farrell TL, Poquet L, Dew TP, Barber S, Williamson G.
Predicting phenolic acid absorption in Caco-2 cells: a theoretical permeability model and mechanistic study. Farrell TL, Poquet L, Dew TP, Barber S, Williamson G.: Predicting phenolic acid absorption in Caco-2 cells: a theoretical permeability model and mechanistic study. Drug Metab Dispos, Volume 40 (2), 2012 Drug Metab Dispos 2012 22096083
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Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre...
Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.
Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid... Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. J Med Chem, Volume 53 (10), 2010 J Med Chem 2010 20408549
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Fauber BP, Dragovich PS, Chen J, Corson LB, Ding CZ,...
Fauber BP, Dragovich PS, Chen J, Corson LB, Ding CZ, Eigenbrot C, Giannetti AM, Hunsaker T, Labadie S, Liu Y, Liu Y, Malek S, Peterson D, Pitts K, Sideris S, Ultsch M, VanderPorten E, Wang J, Wei B, Yen I, Yue Q.
Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase. Fauber BP, Dragovich PS, Chen J, Corson LB, Ding CZ, Eigenbrot C, Giannetti AM, Hunsaker T, Labadie S, Liu Y, Liu Y, Malek S, Peterson D, Pitts K, Sideris S, Ultsch M, VanderPorten E, Wang J, Wei B, Yen I, Yue Q.: Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase. Bioorg Med Chem Lett, Volume 23 (20), 2013 Bioorg Med Chem Lett 2013 24012183
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Fauber BP, Dragovich PS, Chen J, Corson LB, Ding CZ,...
Fauber BP, Dragovich PS, Chen J, Corson LB, Ding CZ, Eigenbrot C, Labadie S, Malek S, Peterson D, Purkey HE, Robarge K, Sideris S, Ultsch M, Wei B, Yen I, Yue Q, Zhou A.
Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase. Fauber BP, Dragovich PS, Chen J, Corson LB, Ding CZ, Eigenbrot C, Labadie S, Malek S, Peterson D, Purkey HE, Robarge K, Sideris S, Ultsch M, Wei B, Yen I, Yue Q, Zhou A.: Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase. Bioorg Med Chem Lett, Volume 24 (24), 2014 Bioorg Med Chem Lett 2014 25467161
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Fauber BP, Gobbi A, Robarge K, Zhou A, Barnard A, Cao J,...
Fauber BP, Gobbi A, Robarge K, Zhou A, Barnard A, Cao J, Deng Y, Eidenschenk C, Everett C, Ganguli A, Hawkins J, Johnson AR, La H, Norman M, Salmon G, Summerhill S, Ouyang W, Tang W, Wong H.
Discovery of imidazo[1,5-a]pyridines and -pyrimidines as potent and selective RORc inverse agonists. Fauber BP, Gobbi A, Robarge K, Zhou A, Barnard A, Cao J, Deng Y, Eidenschenk C, Everett C, Ganguli A, Hawkins J, Johnson AR, La H, Norman M, Salmon G, Summerhill S, Ouyang W, Tang W, Wong H.: Discovery of imidazo[1,5-a]pyridines and -pyrimidines as potent and selective RORc inverse agonists. Bioorg Med Chem Lett, Volume 25 (15), 2015 Bioorg Med Chem Lett 2015 26048793
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Fauber BP, Gobbi A, Savy P, Burton B, Deng Y, Everett C, La...
Fauber BP, Gobbi A, Savy P, Burton B, Deng Y, Everett C, La H, Johnson AR, Lockey P, Norman M, Wong H.
Identification of N-sulfonyl-tetrahydroquinolines as RORc inverse agonists. Fauber BP, Gobbi A, Savy P, Burton B, Deng Y, Everett C, La H, Johnson AR, Lockey P, Norman M, Wong H.: Identification of N-sulfonyl-tetrahydroquinolines as RORc inverse agonists. Bioorg Med Chem Lett, Volume 25 (19), 2015 Bioorg Med Chem Lett 2015 26321361
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Fauber BP, René O, de Leon Boenig G, Burton B, Deng Y,...
Fauber BP, René O, de Leon Boenig G, Burton B, Deng Y, Eidenschenk C, Everett C, Gobbi A, Hymowitz SG, Johnson AR, La H, Liimatta M, Lockey P, Norman M, Ouyang W, Wang W, Wong H.
Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide... Fauber BP, René O, de Leon Boenig G, Burton B, Deng Y, Eidenschenk C, Everett C, Gobbi A, Hymowitz SG, Johnson AR, La H, Liimatta M, Lockey P, Norman M, Ouyang W, Wang W, Wong H.: Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists. Bioorg Med Chem Lett, Volume 24 (16), 2014 Bioorg Med Chem Lett 2014 25017032
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Faure S, Jensen AA, Maurat V, Gu X, Sagot E, Aitken DJ,...
Faure S, Jensen AA, Maurat V, Gu X, Sagot E, Aitken DJ, Bolte J, Gefflaut T, Bunch L.
Stereoselective chemoenzymatic synthesis of the four stereoisomers of l-2-(2-carboxycyclobutyl)glycine and... Faure S, Jensen AA, Maurat V, Gu X, Sagot E, Aitken DJ, Bolte J, Gefflaut T, Bunch L.: Stereoselective chemoenzymatic synthesis of the four stereoisomers of l-2-(2-carboxycyclobutyl)glycine and pharmacological characterization at human excitatory amino acid transporter subtypes 1, 2, and 3. J Med Chem, Volume 49 (22), 2006 J Med Chem 2006 17064071
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Faust MR, Höfner G, Pabel J, Wanner KT.
Faust MR, Höfner G, Pabel J, Wanner KT.
Azetidine derivatives as novel gamma-aminobutyric acid uptake inhibitors: synthesis, biological evaluation, and... Faust MR, Höfner G, Pabel J, Wanner KT.: Azetidine derivatives as novel gamma-aminobutyric acid uptake inhibitors: synthesis, biological evaluation, and structure-activity relationship. Eur J Med Chem, Volume 45 (6), 2010 Eur J Med Chem 2010 20219271
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A,...
Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.
Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007 J Med Chem 2007 17850056
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Fehrenbach T, Cui Y, Faulstich H, Keppler D.
Fehrenbach T, Cui Y, Faulstich H, Keppler D.
Characterization of the transport of the bicyclic peptide phalloidin by human hepatic transport proteins. Fehrenbach T, Cui Y, Faulstich H, Keppler D.: Characterization of the transport of the bicyclic peptide phalloidin by human hepatic transport proteins. Naunyn Schmiedebergs Arch Pharmacol, Volume 368 (5), 2003 Naunyn Schmiedebergs Arch Pharmacol 2003 14530907
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Felts AS, Rodriguez AL, Blobaum AL, Morrison RD, Bates BS,...
Felts AS, Rodriguez AL, Blobaum AL, Morrison RD, Bates BS, Thompson Gray A, Rook JM, Tantawy MN, Byers FW, Chang S, Venable DF, Luscombe VB, Tamagnan GD, Niswender CM, Daniels JS, Jones CK, Conn PJ, Lindsley CW, Emmitte KA.
Discovery of N-(5-Fluoropyridin-2-yl)-6-methyl-4-(pyrimidin-5-yloxy)picolinamide (VU0424238): A Novel Negative... Felts AS, Rodriguez AL, Blobaum AL, Morrison RD, Bates BS, Thompson Gray A, Rook JM, Tantawy MN, Byers FW, Chang S, Venable DF, Luscombe VB, Tamagnan GD, Niswender CM, Daniels JS, Jones CK, Conn PJ, Lindsley CW, Emmitte KA.: Discovery of N-(5-Fluoropyridin-2-yl)-6-methyl-4-(pyrimidin-5-yloxy)picolinamide (VU0424238): A Novel Negative Allosteric Modulator of Metabotropic Glutamate Receptor Subtype 5 Selected for Clinical Evaluation. J Med Chem, Volume 60 (12), 2017 J Med Chem 2017 28530802
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Felts AS, Rodriguez AL, Morrison RD, Bollinger KA, Venable...
Felts AS, Rodriguez AL, Morrison RD, Bollinger KA, Venable DF, Blobaum AL, Byers FW, Thompson Gray A, Daniels JS, Niswender CM, Jones CK, Conn PJ, Lindsley CW, Emmitte KA.
Discovery of imidazo[1,2-a]-, [1,2,4]triazolo[4,3-a]-, and [1,2,4]triazolo[1,5-a]pyridine-8-carboxamide negative... Felts AS, Rodriguez AL, Morrison RD, Bollinger KA, Venable DF, Blobaum AL, Byers FW, Thompson Gray A, Daniels JS, Niswender CM, Jones CK, Conn PJ, Lindsley CW, Emmitte KA.: Discovery of imidazo[1,2-a]-, [1,2,4]triazolo[4,3-a]-, and [1,2,4]triazolo[1,5-a]pyridine-8-carboxamide negative allosteric modulators of metabotropic glutamate receptor subtype 5. Bioorg Med Chem Lett, Volume 27 (21), 2017 Bioorg Med Chem Lett 2017 28958625
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Feng S, Hong D, Wang B, Zheng X, Miao K, Wang L, Yun H, Gao...
Feng S, Hong D, Wang B, Zheng X, Miao K, Wang L, Yun H, Gao L, Zhao S, Shen HC.
Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors. Feng S, Hong D, Wang B, Zheng X, Miao K, Wang L, Yun H, Gao L, Zhao S, Shen HC.: Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors. ACS Med Chem Lett, Volume 6 (3), 2015 ACS Med Chem Lett 2015 25941547
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Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.
Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.
Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017 Eur J Med Chem 2017 28772235
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Feng S, Yang M, Zhang Z, Wang Z, Hong D, Richter H, Benson...
Feng S, Yang M, Zhang Z, Wang Z, Hong D, Richter H, Benson GM, Bleicher K, Grether U, Martin RE, Plancher JM, Kuhn B, Rudolph MG, Chen L.
Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist. Feng S, Yang M, Zhang Z, Wang Z, Hong D, Richter H, Benson GM, Bleicher K, Grether U, Martin RE, Plancher JM, Kuhn B, Rudolph MG, Chen L.: Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist. Bioorg Med Chem Lett, Volume 19 (9), 2009 Bioorg Med Chem Lett 2009 19328688
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Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen...
Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.
Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the... Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015 Eur J Med Chem 2015 26491978
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Feng W, Novera W, Peh K, Neo D, Ramanujulu PM, Moore PK,...
Feng W, Novera W, Peh K, Neo D, Ramanujulu PM, Moore PK, Deng LW, Dymock BW.
Discovery of medium ring thiophosphorus based heterocycles as antiproliferative agents. Feng W, Novera W, Peh K, Neo D, Ramanujulu PM, Moore PK, Deng LW, Dymock BW.: Discovery of medium ring thiophosphorus based heterocycles as antiproliferative agents. Bioorg Med Chem Lett, Volume 27 (4), 2017 Bioorg Med Chem Lett 2017 28082040
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Feng W, Teo XY, Novera W, Ramanujulu PM, Liang D, Huang D,...
Feng W, Teo XY, Novera W, Ramanujulu PM, Liang D, Huang D, Moore PK, Deng LW, Dymock BW.
Discovery of New H2S Releasing Phosphordithioates and 2,3-Dihydro-2-phenyl-2-sulfanylenebenzo[d][1,3,2]oxazaphospholes... Feng W, Teo XY, Novera W, Ramanujulu PM, Liang D, Huang D, Moore PK, Deng LW, Dymock BW.: Discovery of New H2S Releasing Phosphordithioates and 2,3-Dihydro-2-phenyl-2-sulfanylenebenzo[d][1,3,2]oxazaphospholes with Improved Antiproliferative Activity. J Med Chem, Volume 58 (16), 2015 J Med Chem 2015 26147240
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Feng X, Pan L, Qian Z, Liu D, Guan X, Feng L, Song B, Xu X,...
Feng X, Pan L, Qian Z, Liu D, Guan X, Feng L, Song B, Xu X, Tan N, Ma Y, Li Z, Wang Z, Bian J.
Discovery of Selenium-Containing STING Agonists as Orally Available Antitumor Agents. Feng X, Pan L, Qian Z, Liu D, Guan X, Feng L, Song B, Xu X, Tan N, Ma Y, Li Z, Wang Z, Bian J.: Discovery of Selenium-Containing STING Agonists as Orally Available Antitumor Agents. J Med Chem, Volume 65 (22), 2022 J Med Chem 2022 36069713
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Fernandes J, Gattass CR.
Fernandes J, Gattass CR.
Topological polar surface area defines substrate transport by multidrug resistance associated protein 1 (MRP1/ABCC1). Fernandes J, Gattass CR.: Topological polar surface area defines substrate transport by multidrug resistance associated protein 1 (MRP1/ABCC1). J Med Chem, Volume 52 (4), 2009 J Med Chem 2009 19193010
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Fernández A, Díaz JL, García M, Rodríguez-Escrich S,...
Fernández A, Díaz JL, García M, Rodríguez-Escrich S, Lorente A, Enrech R, Dordal A, Portillo-Salido E, Porras M, Fernández B, Reinoso RF, Vela JM, Almansa C.
Piperazinyl Bicyclic Derivatives as Selective Ligands of the α2δ-1 Subunit of Voltage-Gated Calcium Channels. Fernández A, Díaz JL, García M, Rodríguez-Escrich S, Lorente A, Enrech R, Dordal A, Portillo-Salido E, Porras M, Fernández B, Reinoso RF, Vela JM, Almansa C.: Piperazinyl Bicyclic Derivatives as Selective Ligands of the α2δ-1 Subunit of Voltage-Gated Calcium Channels. ACS Med Chem Lett, Volume 12 (11), 2021 ACS Med Chem Lett 2021 34795870
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Ferreira MA, Azevedo H, Mascarello A, Segretti ND, Russo E,...
Ferreira MA, Azevedo H, Mascarello A, Segretti ND, Russo E, Russo V, Guimarães CRW.
Discovery of ACH-000143: A Novel Potent and Peripherally Preferred Melatonin Receptor Agonist that Reduces Liver... Ferreira MA, Azevedo H, Mascarello A, Segretti ND, Russo E, Russo V, Guimarães CRW.: Discovery of ACH-000143: A Novel Potent and Peripherally Preferred Melatonin Receptor Agonist that Reduces Liver Triglycerides and Steatosis in Diet-Induced Obese Rats. J Med Chem, Volume 64 (4), 2021 J Med Chem 2021 33626870
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Festa C, Finamore C, Marchianò S, Di Leva FS, Carino A,...
Festa C, Finamore C, Marchianò S, Di Leva FS, Carino A, Monti MC, Del Gaudio F, Ceccacci S, Limongelli V, Zampella A, Fiorucci S, De Marino S.
Investigation around the Oxadiazole Core in the Discovery of a New Chemotype of Potent and Selective FXR Antagonists. Festa C, Finamore C, Marchianò S, Di Leva FS, Carino A, Monti MC, Del Gaudio F, Ceccacci S, Limongelli V, Zampella A, Fiorucci S, De Marino S.: Investigation around the Oxadiazole Core in the Discovery of a New Chemotype of Potent and Selective FXR Antagonists. ACS Med Chem Lett, Volume 10 (4), 2019 ACS Med Chem Lett 2019 30996787
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Fichert T, Yazdanian M, Proudfoot JR.
Fichert T, Yazdanian M, Proudfoot JR.
A structure-permeability study of small drug-like molecules. Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003 Bioorg Med Chem Lett 2003 12639566
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Fichez J, Soulie C, Le Corre L, Sayon S, Priet S, Alvarez...
Fichez J, Soulie C, Le Corre L, Sayon S, Priet S, Alvarez K, Delelis O, Gizzi P, Prestat G, Gravier-Pelletier C, Marcelin AG, Calvez V, Busca P.
Discovery, SAR study and ADME properties of methyl... Fichez J, Soulie C, Le Corre L, Sayon S, Priet S, Alvarez K, Delelis O, Gizzi P, Prestat G, Gravier-Pelletier C, Marcelin AG, Calvez V, Busca P.: Discovery, SAR study and ADME properties of methyl 4-amino-3-cyano-1-(2-benzyloxyphenyl)-1H-pyrazole-5-carboxylate as an HIV-1 replication inhibitor. RSC Med Chem, Volume 11 (5), 2020 RSC Med Chem 2020 33479659
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Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK,...
Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK, Sheppard GS, Wang L, Holms JH, Dai Y, Aguirre A, Bogdan A, Dietrich JD, Marjanovic J, Park CH, Hutchins CW, Lin X, Bui MH, Huang X, Wilcox D, Li L, Wang R, Kovar P, Magoc TJ, Rajaraman G, Albert DH, Shen Y, Kati WM, McDaniel KF.
Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors. Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK, Sheppard GS, Wang L, Holms JH, Dai Y, Aguirre A, Bogdan A, Dietrich JD, Marjanovic J, Park CH, Hutchins CW, Lin X, Bui MH, Huang X, Wilcox D, Li L, Wang R, Kovar P, Magoc TJ, Rajaraman G, Albert DH, Shen Y, Kati WM, McDaniel KF.: Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors. Bioorg Med Chem Lett, Volume 28 (10), 2018 Bioorg Med Chem Lett 2018 29678460
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Finkbeiner P, Hehn JP, Gnamm C.
Finkbeiner P, Hehn JP, Gnamm C.
Phosphine Oxides from a Medicinal Chemist's Perspective: Physicochemical and in Vitro Parameters Relevant for... Finkbeiner P, Hehn JP, Gnamm C.: Phosphine Oxides from a Medicinal Chemist's Perspective: Physicochemical and in Vitro Parameters Relevant for Drug Discovery. J Med Chem, Volume 63 (13), 2020 J Med Chem 2020 32479078
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Finkelstein A.
Finkelstein A.
Water and nonelectrolyte permeability of lipid bilayer membranes. Finkelstein A.: Water and nonelectrolyte permeability of lipid bilayer membranes. J Gen Physiol, Volume 68 (2), 1976 J Gen Physiol 1976 956767
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Finlay MR, Buttar D, Critchlow SE, Dishington AP, Fillery...
Finlay MR, Buttar D, Critchlow SE, Dishington AP, Fillery SM, Fisher E, Glossop SC, Graham MA, Johnson T, Lamont GM, Mutton S, Perkins P, Pike KG, Slater AM.
Sulfonyl-morpholino-pyrimidines: SAR and development of a novel class of selective mTOR kinase inhibitor. Finlay MR, Buttar D, Critchlow SE, Dishington AP, Fillery SM, Fisher E, Glossop SC, Graham MA, Johnson T, Lamont GM, Mutton S, Perkins P, Pike KG, Slater AM.: Sulfonyl-morpholino-pyrimidines: SAR and development of a novel class of selective mTOR kinase inhibitor. Bioorg Med Chem Lett, Volume 22 (12), 2012 Bioorg Med Chem Lett 2012 22607682
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Finlay MRV, Barton P, Bickerton S, Bista M, Colclough N,...
Finlay MRV, Barton P, Bickerton S, Bista M, Colclough N, Cross DAE, Evans L, Floc'h N, Gregson C, Guérot CM, Hargreaves D, Kang X, Lenz EM, Li X, Liu Y, Lorthioir O, Martin MJ, McKerrecher D, McWhirter C, O'Neill D, Orme JP, Mosallanejad A, Rahi A, Smith PD, Talbot V, Ward RA, Wrigley G, Wylot M, Xue L, Yao T, Ye Y, Zhao X.
Potent and Selective Inhibitors of the Epidermal Growth Factor Receptor to Overcome C797S-Mediated Resistance. Finlay MRV, Barton P, Bickerton S, Bista M, Colclough N, Cross DAE, Evans L, Floc'h N, Gregson C, Guérot CM, Hargreaves D, Kang X, Lenz EM, Li X, Liu Y, Lorthioir O, Martin MJ, McKerrecher D, McWhirter C, O'Neill D, Orme JP, Mosallanejad A, Rahi A, Smith PD, Talbot V, Ward RA, Wrigley G, Wylot M, Xue L, Yao T, Ye Y, Zhao X.: Potent and Selective Inhibitors of the Epidermal Growth Factor Receptor to Overcome C797S-Mediated Resistance. J Med Chem, Volume 64 (18), 2021 J Med Chem 2021 34491761
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Fischer A, Hoeger SJ, Stemmer K, Feurstein DJ, Knobeloch D,...
Fischer A, Hoeger SJ, Stemmer K, Feurstein DJ, Knobeloch D, Nussler A, Dietrich DR.
The role of organic anion transporting polypeptides (OATPs/SLCOs) in the toxicity of different microcystin congeners in... Fischer A, Hoeger SJ, Stemmer K, Feurstein DJ, Knobeloch D, Nussler A, Dietrich DR.: The role of organic anion transporting polypeptides (OATPs/SLCOs) in the toxicity of different microcystin congeners in vitro: a comparison of primary human hepatocytes and OATP-transfected HEK293 cells. Toxicol Appl Pharmacol, Volume 245 (1), 2010 Toxicol Appl Pharmacol 2010 20171238
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Fischer H, Kansy M, Avdeef A, Senner F.
Fischer H, Kansy M, Avdeef A, Senner F.
Permeation of permanently positive charged molecules through artificial membranes--influence of physico-chemical... Fischer H, Kansy M, Avdeef A, Senner F.: Permeation of permanently positive charged molecules through artificial membranes--influence of physico-chemical properties. Eur J Pharm Sci, Volume 31 (1), 32-42, 2007 Eur J Pharm Sci 2007 17416489
Total substances: 15
Total passive interactions: 15
Total active interactions: 0
Fischer PM.
Fischer PM.
Design of Small-Molecule Active-Site Inhibitors of the S1A Family Proteases as Procoagulant and Anticoagulant Drugs. Fischer PM.: Design of Small-Molecule Active-Site Inhibitors of the S1A Family Proteases as Procoagulant and Anticoagulant Drugs. J Med Chem, Volume 61 (9), 2018 J Med Chem 2018 29072911
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Fischer WJ, Altheimer S, Cattori V, Meier PJ, Dietrich DR,...
Fischer WJ, Altheimer S, Cattori V, Meier PJ, Dietrich DR, Hagenbuch B.
Organic anion transporting polypeptides expressed in liver and brain mediate uptake of microcystin. Fischer WJ, Altheimer S, Cattori V, Meier PJ, Dietrich DR, Hagenbuch B.: Organic anion transporting polypeptides expressed in liver and brain mediate uptake of microcystin. Toxicol Appl Pharmacol, Volume 203 (3), 2005 Toxicol Appl Pharmacol 2005 15737679
Total substances: 1
Total passive interactions: 0
Total active interactions: 5
Fish PV, Andrews MD, Jonathan Fray M, Stobie A, Wakenhut F,...
Fish PV, Andrews MD, Jonathan Fray M, Stobie A, Wakenhut F, Whitlock GA.
4-Piperidines and 3-pyrrolidines as dual serotonin and noradrenaline reuptake inhibitors: design, synthesis and... Fish PV, Andrews MD, Jonathan Fray M, Stobie A, Wakenhut F, Whitlock GA.: 4-Piperidines and 3-pyrrolidines as dual serotonin and noradrenaline reuptake inhibitors: design, synthesis and structure-activity relationships. Bioorg Med Chem Lett, Volume 19 (10), 2009 Bioorg Med Chem Lett 2009 19359175
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut...
Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.
Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing... Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008 Bioorg Med Chem Lett 2008 18621528
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Fish PV, Brown AD, Evrard E, Roberts LR.
Fish PV, Brown AD, Evrard E, Roberts LR.
7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009 Bioorg Med Chem Lett 2009 19269173
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Fish PV, Deur C, Gan X, Greene K, Hoople D, Mackenny M,...
Fish PV, Deur C, Gan X, Greene K, Hoople D, Mackenny M, Para KS, Reeves K, Ryckmans T, Stiff C, Stobie A, Wakenhut F, Whitlock GA.
Design and synthesis of morpholine derivatives. SAR for dual serotonin & noradrenaline reuptake inhibition. Fish PV, Deur C, Gan X, Greene K, Hoople D, Mackenny M, Para KS, Reeves K, Ryckmans T, Stiff C, Stobie A, Wakenhut F, Whitlock GA.: Design and synthesis of morpholine derivatives. SAR for dual serotonin & noradrenaline reuptake inhibition. Bioorg Med Chem Lett, Volume 18 (8), 2008 Bioorg Med Chem Lett 2008 18387300
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Fish PV, Ryckmans T, Stobie A, Wakenhut F.
Fish PV, Ryckmans T, Stobie A, Wakenhut F.
[4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors. Fish PV, Ryckmans T, Stobie A, Wakenhut F.: [4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (6), 2008 Bioorg Med Chem Lett 2008 18313294
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Fish PV, Wakenhut F, Ryckmans T, Stobie A.
Fish PV, Wakenhut F, Ryckmans T, Stobie A.
Design, synthesis and evaluation of N-[(3S)-pyrrolidin-3-yl]benzamides as selective noradrenaline reuptake inhibitors:... Fish PV, Wakenhut F, Ryckmans T, Stobie A.: Design, synthesis and evaluation of N-[(3S)-pyrrolidin-3-yl]benzamides as selective noradrenaline reuptake inhibitors: CNS penetration in a more polar template. Bioorg Med Chem Lett, Volume 19 (16), 2009 Bioorg Med Chem Lett 2009 19616432
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R,...
Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.
In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short... Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011 J Med Chem 2011 21401113
Total substances: 0
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Total active interactions: 0
Fletcher JM, Hughes RA.
Fletcher JM, Hughes RA.
Modified low molecular weight cyclic peptides as mimetics of BDNF with improved potency, proteolytic stability and... Fletcher JM, Hughes RA.: Modified low molecular weight cyclic peptides as mimetics of BDNF with improved potency, proteolytic stability and transmembrane passage in vitro. Bioorg Med Chem, Volume 17 (7), 2009 Bioorg Med Chem 2009 19303307
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Flygare JA, Beresini M, Budha N, Chan H, Chan IT, Cheeti S,...
Flygare JA, Beresini M, Budha N, Chan H, Chan IT, Cheeti S, Cohen F, Deshayes K, Doerner K, Eckhardt SG, Elliott LO, Feng B, Franklin MC, Reisner SF, Gazzard L, Halladay J, Hymowitz SG, La H, LoRusso P, Maurer B, Murray L, Plise E, Quan C, Stephan JP, Young SG, Tom J, Tsui V, Um J, Varfolomeev E, Vucic D, Wagner AJ, Wallweber HJ, Wang L, Ware J, Wen Z, Wong H, Wong JM, Wong M, Wong S, Yu R, Zobel K, Fairbrother WJ.
Discovery of a potent small-molecule antagonist of inhibitor of apoptosis (IAP) proteins and clinical candidate for the... Flygare JA, Beresini M, Budha N, Chan H, Chan IT, Cheeti S, Cohen F, Deshayes K, Doerner K, Eckhardt SG, Elliott LO, Feng B, Franklin MC, Reisner SF, Gazzard L, Halladay J, Hymowitz SG, La H, LoRusso P, Maurer B, Murray L, Plise E, Quan C, Stephan JP, Young SG, Tom J, Tsui V, Um J, Varfolomeev E, Vucic D, Wagner AJ, Wallweber HJ, Wang L, Ware J, Wen Z, Wong H, Wong JM, Wong M, Wong S, Yu R, Zobel K, Fairbrother WJ.: Discovery of a potent small-molecule antagonist of inhibitor of apoptosis (IAP) proteins and clinical candidate for the treatment of cancer (GDC-0152). J Med Chem, Volume 55 (9), 2012 J Med Chem 2012 22413863
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Focken T, Chowdhury S, Zenova A, Grimwood ME, Chabot C,...
Focken T, Chowdhury S, Zenova A, Grimwood ME, Chabot C, Sheng T, Hemeon I, Decker SM, Wilson M, Bichler P, Jia Q, Sun S, Young C, Lin S, Goodchild SJ, Shuart NG, Chang E, Xie Z, Li B, Khakh K, Bankar G, Waldbrook M, Kwan R, Nelkenbrecher K, Karimi Tari P, Chahal N, Sojo L, Robinette CL, White AD, Chen CA, Zhang Y, Pang J, Chang JH, Hackos DH, Johnson JP, Cohen CJ, Ortwine DF, Sutherlin DP, Dehnhardt CM, Safina BS.
Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3-... Focken T, Chowdhury S, Zenova A, Grimwood ME, Chabot C, Sheng T, Hemeon I, Decker SM, Wilson M, Bichler P, Jia Q, Sun S, Young C, Lin S, Goodchild SJ, Shuart NG, Chang E, Xie Z, Li B, Khakh K, Bankar G, Waldbrook M, Kwan R, Nelkenbrecher K, Karimi Tari P, Chahal N, Sojo L, Robinette CL, White AD, Chen CA, Zhang Y, Pang J, Chang JH, Hackos DH, Johnson JP, Cohen CJ, Ortwine DF, Sutherlin DP, Dehnhardt CM, Safina BS.: Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3- a]pyridin-3-yl)methane-sulfonamides as Potent and Selective hNaV1.7 Inhibitors for the Treatment of Pain. J Med Chem, Volume 61 (11), 2018 J Med Chem 2018 29737846
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Foley TL, Rai G, Yasgar A, Daniel T, Baker HL, Attene-Ramos...
Foley TL, Rai G, Yasgar A, Daniel T, Baker HL, Attene-Ramos M, Kosa NM, Leister W, Burkart MD, Jadhav A, Simeonov A, Maloney DJ.
4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide (ML267), a potent... Foley TL, Rai G, Yasgar A, Daniel T, Baker HL, Attene-Ramos M, Kosa NM, Leister W, Burkart MD, Jadhav A, Simeonov A, Maloney DJ.: 4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide (ML267), a potent inhibitor of bacterial phosphopantetheinyl transferase that attenuates secondary metabolism and thwarts bacterial growth. J Med Chem, Volume 57 (3), 2014 J Med Chem 2014 24450337
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Follmann M, Ackerstaff J, Redlich G, Wunder F, Lang D, Kern...
Follmann M, Ackerstaff J, Redlich G, Wunder F, Lang D, Kern A, Fey P, Griebenow N, Kroh W, Becker-Pelster EM, Kretschmer A, Geiss V, Li V, Straub A, Mittendorf J, Jautelat R, Schirok H, Schlemmer KH, Lustig K, Gerisch M, Knorr A, Tinel H, Mondritzki T, Trübel H, Sandner P, Stasch JP.
Discovery of the Soluble Guanylate Cyclase Stimulator Vericiguat (BAY 1021189) for the Treatment of Chronic Heart... Follmann M, Ackerstaff J, Redlich G, Wunder F, Lang D, Kern A, Fey P, Griebenow N, Kroh W, Becker-Pelster EM, Kretschmer A, Geiss V, Li V, Straub A, Mittendorf J, Jautelat R, Schirok H, Schlemmer KH, Lustig K, Gerisch M, Knorr A, Tinel H, Mondritzki T, Trübel H, Sandner P, Stasch JP.: Discovery of the Soluble Guanylate Cyclase Stimulator Vericiguat (BAY 1021189) for the Treatment of Chronic Heart Failure. J Med Chem, Volume 60 (12), 2017 J Med Chem 2017 28557445
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Foote KM, Blades K, Cronin A, Fillery S, Guichard SS,...
Foote KM, Blades K, Cronin A, Fillery S, Guichard SS, Hassall L, Hickson I, Jacq X, Jewsbury PJ, McGuire TM, Nissink JW, Odedra R, Page K, Perkins P, Suleman A, Tam K, Thommes P, Broadhurst R, Wood C.
Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): a... Foote KM, Blades K, Cronin A, Fillery S, Guichard SS, Hassall L, Hickson I, Jacq X, Jewsbury PJ, McGuire TM, Nissink JW, Odedra R, Page K, Perkins P, Suleman A, Tam K, Thommes P, Broadhurst R, Wood C.: Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): a potent and selective inhibitor of ATR protein kinase with monotherapy in vivo antitumor activity. J Med Chem, Volume 56 (5), 2013 J Med Chem 2013 23394205
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Foote KM, Nissink JWM, McGuire T, Turner P, Guichard S,...
Foote KM, Nissink JWM, McGuire T, Turner P, Guichard S, Yates JWT, Lau A, Blades K, Heathcote D, Odedra R, Wilkinson G, Wilson Z, Wood CM, Jewsbury PJ.
Discovery and Characterization of AZD6738, a Potent Inhibitor of Ataxia Telangiectasia Mutated and Rad3 Related (ATR)... Foote KM, Nissink JWM, McGuire T, Turner P, Guichard S, Yates JWT, Lau A, Blades K, Heathcote D, Odedra R, Wilkinson G, Wilson Z, Wood CM, Jewsbury PJ.: Discovery and Characterization of AZD6738, a Potent Inhibitor of Ataxia Telangiectasia Mutated and Rad3 Related (ATR) Kinase with Application as an Anticancer Agent. J Med Chem, Volume 61 (22), 2018 J Med Chem 2018 30346772
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Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela...
Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela D, Santos L, Ramirez D, Guzman L.
Novel Alkylimidazolium Ionic Liquids as an Antibacterial Alternative to Pathogens of the Skin and Soft Tissue... Forero Doria O, Castro R, Gutierrez M, Gonzalez Valenzuela D, Santos L, Ramirez D, Guzman L.: Novel Alkylimidazolium Ionic Liquids as an Antibacterial Alternative to Pathogens of the Skin and Soft Tissue Infections. Molecules, Volume 23 (9), 2018 Molecules 2018 30223457
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Forns P, Esteve C, Taboada L, Alonso JA, Orellana A,...
Forns P, Esteve C, Taboada L, Alonso JA, Orellana A, Maldonado M, Carreño C, Ramis I, López M, Miralpeix M, Vidal B.
Pyrazine-based Syk kinase inhibitors. Forns P, Esteve C, Taboada L, Alonso JA, Orellana A, Maldonado M, Carreño C, Ramis I, López M, Miralpeix M, Vidal B.: Pyrazine-based Syk kinase inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22425453
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Forster S, Thumser AE, Hood SR, Plant N.
Forster S, Thumser AE, Hood SR, Plant N.
Characterization of rhodamine-123 as a tracer dye for use in in vitro drug transport assays. Forster S, Thumser AE, Hood SR, Plant N.: Characterization of rhodamine-123 as a tracer dye for use in in vitro drug transport assays. PLoS One, Volume 7 (3), 2012 PLoS One 2012 22470447
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Foulke-Abel J, Yu H, Sunuwar L, Lin R, Fleckenstein JM,...
Foulke-Abel J, Yu H, Sunuwar L, Lin R, Fleckenstein JM, Kaper JB, Donowitz M.
Phosphodiesterase 5 (PDE5) restricts intracellular cGMP accumulation during enterotoxigenic Escherichia coli... Foulke-Abel J, Yu H, Sunuwar L, Lin R, Fleckenstein JM, Kaper JB, Donowitz M.: Phosphodiesterase 5 (PDE5) restricts intracellular cGMP accumulation during enterotoxigenic Escherichia coli infection. Gut Microbes, Volume 12 (1), 2020 Gut Microbes 2020 32378997
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Francis S, Croft D, Schüttelkopf AW, Parry C, Pugliese A,...
Francis S, Croft D, Schüttelkopf AW, Parry C, Pugliese A, Cameron K, Claydon S, Drysdale M, Gardner C, Gohlke A, Goodwin G, Gray CH, Konczal J, McDonald L, Mezna M, Pannifer A, Paul NR, Machesky L, McKinnon H, Bower J.
Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and... Francis S, Croft D, Schüttelkopf AW, Parry C, Pugliese A, Cameron K, Claydon S, Drysdale M, Gardner C, Gohlke A, Goodwin G, Gray CH, Konczal J, McDonald L, Mezna M, Pannifer A, Paul NR, Machesky L, McKinnon H, Bower J.: Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg Med Chem Lett, Volume 29 (8), 2019 Bioorg Med Chem Lett 2019 30773430
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Frankowski KJ, Patnaik S, Wang C, Southall N, Dutta D, De...
Frankowski KJ, Patnaik S, Wang C, Southall N, Dutta D, De S, Li D, Dextras C, Lin YH, Bryant-Connah M, Davis D, Wang F, Wachsmuth LM, Shah P, Williams J, Kabir M, Zhu E, Baljinnyam B, Wang A, Xu X, Norton J, Ferrer M, Titus S, Simeonov A, Zheng W, Mathews Griner LA, Jadhav A, Aubé J, Henderson MJ, Rudloff U, Schoenen FJ, Huang S, Marugan JJ.
Discovery and Optimization of Pyrrolopyrimidine Derivatives as Selective Disruptors of the Perinucleolar Compartment, a... Frankowski KJ, Patnaik S, Wang C, Southall N, Dutta D, De S, Li D, Dextras C, Lin YH, Bryant-Connah M, Davis D, Wang F, Wachsmuth LM, Shah P, Williams J, Kabir M, Zhu E, Baljinnyam B, Wang A, Xu X, Norton J, Ferrer M, Titus S, Simeonov A, Zheng W, Mathews Griner LA, Jadhav A, Aubé J, Henderson MJ, Rudloff U, Schoenen FJ, Huang S, Marugan JJ.: Discovery and Optimization of Pyrrolopyrimidine Derivatives as Selective Disruptors of the Perinucleolar Compartment, a Marker of Tumor Progression toward Metastasis. J Med Chem, Volume 65 (12), 2022 J Med Chem 2022 35696646
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Fransson R, Nordvall G, Bylund J, Carlsson-Jonsson A, Kratz...
Fransson R, Nordvall G, Bylund J, Carlsson-Jonsson A, Kratz JM, Svensson R, Artursson P, Hallberg M, Sandström A.
Exploration and pharmacokinetic profiling of phenylalanine based carbamates as novel substance p 1-7 analogues. Fransson R, Nordvall G, Bylund J, Carlsson-Jonsson A, Kratz JM, Svensson R, Artursson P, Hallberg M, Sandström A.: Exploration and pharmacokinetic profiling of phenylalanine based carbamates as novel substance p 1-7 analogues. ACS Med Chem Lett, Volume 5 (12), 2014 ACS Med Chem Lett 2014 25516784
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Fransson R, Sköld C, Kratz JM, Svensson R, Artursson P,...
Fransson R, Sköld C, Kratz JM, Svensson R, Artursson P, Nyberg F, Hallberg M, Sandström A.
Constrained H-Phe-Phe-NH2 analogues with high affinity to the substance P 1-7 binding site and with improved metabolic... Fransson R, Sköld C, Kratz JM, Svensson R, Artursson P, Nyberg F, Hallberg M, Sandström A.: Constrained H-Phe-Phe-NH2 analogues with high affinity to the substance P 1-7 binding site and with improved metabolic stability and cell permeability. J Med Chem, Volume 56 (12), 2013 J Med Chem 2013 23735006
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Franz AK, Wilson SO.
Franz AK, Wilson SO.
Organosilicon molecules with medicinal applications. Franz AK, Wilson SO.: Organosilicon molecules with medicinal applications. J Med Chem, Volume 56 (2), 2013 J Med Chem 2013 23061607
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Fray MJ, Fish PV, Allan GA, Bish G, Clarke N, Eccles R,...
Fray MJ, Fish PV, Allan GA, Bish G, Clarke N, Eccles R, Harrison AC, Le Net JL, Phillips SC, Regan N, Sobry C, Stobie A, Wakenhut F, Westbrook D, Westbrook SL, Whitlock GA.
Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving... Fray MJ, Fish PV, Allan GA, Bish G, Clarke N, Eccles R, Harrison AC, Le Net JL, Phillips SC, Regan N, Sobry C, Stobie A, Wakenhut F, Westbrook D, Westbrook SL, Whitlock GA.: Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity. Bioorg Med Chem Lett, Volume 20 (12), 2010 Bioorg Med Chem Lett 2010 20471260
Total substances: 3
Total passive interactions: 0
Total active interactions: 4
Frings M, Bolm C, Blum A, Gnamm C.
Frings M, Bolm C, Blum A, Gnamm C.
Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug... Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017 Eur J Med Chem 2017 27821325
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Fritch PC, Krajewski J.
Fritch PC, Krajewski J.
Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists. Fritch PC, Krajewski J.: Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists. Bioorg Med Chem Lett, Volume 20 (22), 2010 Bioorg Med Chem Lett 2010 20934333
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Froimowitz M, Gu Y, Dakin LA, Nagafuji PM, Kelley CJ,...
Froimowitz M, Gu Y, Dakin LA, Nagafuji PM, Kelley CJ, Parrish D, Deschamps JR, Janowsky A.
Slow-onset, long-duration, alkyl analogues of methylphenidate with enhanced selectivity for the dopamine transporter. Froimowitz M, Gu Y, Dakin LA, Nagafuji PM, Kelley CJ, Parrish D, Deschamps JR, Janowsky A.: Slow-onset, long-duration, alkyl analogues of methylphenidate with enhanced selectivity for the dopamine transporter. J Med Chem, Volume 50 (2), 2007 J Med Chem 2007 17228864
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Froimowitz M, Wu KM, Moussa A, Haidar RM, Jurayj J, George...
Froimowitz M, Wu KM, Moussa A, Haidar RM, Jurayj J, George C, Gardner EL.
Slow-onset, long-duration 3-(3',4'-dichlorophenyl)-1-indanamine monoamine reuptake blockers as potential medications to... Froimowitz M, Wu KM, Moussa A, Haidar RM, Jurayj J, George C, Gardner EL.: Slow-onset, long-duration 3-(3',4'-dichlorophenyl)-1-indanamine monoamine reuptake blockers as potential medications to treat cocaine abuse. J Med Chem, Volume 43 (26), 2000 J Med Chem 2000 11150168
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Fromont C, Atzori A, Kaur D, Hashmi L, Greco G, Cabanillas...
Fromont C, Atzori A, Kaur D, Hashmi L, Greco G, Cabanillas A, Nguyen HV, Jones DH, Garzón M, Varela A, Stevenson B, Iacobini GP, Lenoir M, Rajesh S, Box C, Kumar J, Grant P, Novitskaya V, Morgan J, Sorrell FJ, Redondo C, Kramer A, Harris CJ, Leighton B, Vickers SP, Cheetham SC, Kenyon C, Grabowska AM, Overduin M, Berditchevski F, Weston CJ, Knapp S, Fischer PM, Butterworth S.
Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the... Fromont C, Atzori A, Kaur D, Hashmi L, Greco G, Cabanillas A, Nguyen HV, Jones DH, Garzón M, Varela A, Stevenson B, Iacobini GP, Lenoir M, Rajesh S, Box C, Kumar J, Grant P, Novitskaya V, Morgan J, Sorrell FJ, Redondo C, Kramer A, Harris CJ, Leighton B, Vickers SP, Cheetham SC, Kenyon C, Grabowska AM, Overduin M, Berditchevski F, Weston CJ, Knapp S, Fischer PM, Butterworth S.: Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesity in Vivo Mouse Model. J Med Chem, Volume 63 (13), 2020 J Med Chem 2020 32433887
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Frost JM, DeGoey DA, Shi L, Gum RJ, Fricano MM, Lundgaard...
Frost JM, DeGoey DA, Shi L, Gum RJ, Fricano MM, Lundgaard GL, El-Kouhen OF, Hsieh GC, Neelands T, Matulenko MA, Daanen JF, Pai M, Ghoreishi-Haack N, Zhan C, Zhang XF, Kort ME.
Substituted Indazoles as Nav1.7 Blockers for the Treatment of Pain. Frost JM, DeGoey DA, Shi L, Gum RJ, Fricano MM, Lundgaard GL, El-Kouhen OF, Hsieh GC, Neelands T, Matulenko MA, Daanen JF, Pai M, Ghoreishi-Haack N, Zhan C, Zhang XF, Kort ME.: Substituted Indazoles as Nav1.7 Blockers for the Treatment of Pain. J Med Chem, Volume 59 (7), 2016 J Med Chem 2016 27015369
Total substances: 1
Total passive interactions: 0
Total active interactions: 5
Frotscher M, Ziegler E, Marchais-Oberwinkler S, Kruchten P,...
Frotscher M, Ziegler E, Marchais-Oberwinkler S, Kruchten P, Neugebauer A, Fetzer L, Scherer C, Müller-Vieira U, Messinger J, Thole H, Hartmann RW.
Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and... Frotscher M, Ziegler E, Marchais-Oberwinkler S, Kruchten P, Neugebauer A, Fetzer L, Scherer C, Müller-Vieira U, Messinger J, Thole H, Hartmann RW.: Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases. J Med Chem, Volume 51 (7), 2008 J Med Chem 2008 18324762
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Fruttero R, Crosetti M, Chegaev K, Guglielmo S, Gasco A,...
Fruttero R, Crosetti M, Chegaev K, Guglielmo S, Gasco A, Berardi F, Niso M, Perrone R, Panaro MA, Colabufo NA.
Phenylsulfonylfuroxans as modulators of multidrug-resistance-associated protein-1 and P-glycoprotein. Fruttero R, Crosetti M, Chegaev K, Guglielmo S, Gasco A, Berardi F, Niso M, Perrone R, Panaro MA, Colabufo NA.: Phenylsulfonylfuroxans as modulators of multidrug-resistance-associated protein-1 and P-glycoprotein. J Med Chem, Volume 53 (15), 2010 J Med Chem 2010 20684594
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Fu CW, Tsai HE, Chen WS, Chang TT, Chen CL, Hsiao PW, Li WS.
Fu CW, Tsai HE, Chen WS, Chang TT, Chen CL, Hsiao PW, Li WS.
Sialyltransferase Inhibitors Suppress Breast Cancer Metastasis. Fu CW, Tsai HE, Chen WS, Chang TT, Chen CL, Hsiao PW, Li WS.: Sialyltransferase Inhibitors Suppress Breast Cancer Metastasis. J Med Chem, Volume 64 (1), 2021 J Med Chem 2021 33371679
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Fu J, Tjandra M, Becker C, Bednarczyk D, Capparelli M,...
Fu J, Tjandra M, Becker C, Bednarczyk D, Capparelli M, Elling R, Hanna I, Fujimoto R, Furegati M, Karur S, Kasprzyk T, Knapp M, Leung K, Li X, Lu P, Mergo W, Miault C, Ng S, Parker D, Peng Y, Roggo S, Rivkin A, Simmons RL, Wang M, Wiedmann B, Weiss AH, Xiao L, Xie L, Xu W, Yifru A, Yang S, Zhou B, Sweeney ZK.
Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter... Fu J, Tjandra M, Becker C, Bednarczyk D, Capparelli M, Elling R, Hanna I, Fujimoto R, Furegati M, Karur S, Kasprzyk T, Knapp M, Leung K, Li X, Lu P, Mergo W, Miault C, Ng S, Parker D, Peng Y, Roggo S, Rivkin A, Simmons RL, Wang M, Wiedmann B, Weiss AH, Xiao L, Xie L, Xu W, Yifru A, Yang S, Zhou B, Sweeney ZK.: Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter inhibition. J Med Chem, Volume 57 (20), 2014 J Med Chem 2014 25310383
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Fuchino K, Mitsuoka Y, Masui M, Kurose N, Yoshida S, Komano...
Fuchino K, Mitsuoka Y, Masui M, Kurose N, Yoshida S, Komano K, Yamamoto T, Ogawa M, Unemura C, Hosono M, Ito H, Sakaguchi G, Ando S, Ohnishi S, Kido Y, Fukushima T, Miyajima H, Hiroyama S, Koyabu K, Dhuyvetter D, Borghys H, Gijsen HJM, Yamano Y, Iso Y, Kusakabe KI.
Rational Design of Novel 1,3-Oxazine Based β-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce... Fuchino K, Mitsuoka Y, Masui M, Kurose N, Yoshida S, Komano K, Yamamoto T, Ogawa M, Unemura C, Hosono M, Ito H, Sakaguchi G, Ando S, Ohnishi S, Kido Y, Fukushima T, Miyajima H, Hiroyama S, Koyabu K, Dhuyvetter D, Borghys H, Gijsen HJM, Yamano Y, Iso Y, Kusakabe KI.: Rational Design of Novel 1,3-Oxazine Based β-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust Aβ Reduction in the Brain. J Med Chem, Volume 61 (12), 2018 J Med Chem 2018 29733614
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Fuerst R, Yong Choi J, Knapinska AM, Smith L, Cameron MD,...
Fuerst R, Yong Choi J, Knapinska AM, Smith L, Cameron MD, Ruiz C, Fields GB, Roush WR.
Development of matrix metalloproteinase-13 inhibitors - A structure-activity/structure-property relationship study. Fuerst R, Yong Choi J, Knapinska AM, Smith L, Cameron MD, Ruiz C, Fields GB, Roush WR.: Development of matrix metalloproteinase-13 inhibitors - A structure-activity/structure-property relationship study. Bioorg Med Chem, Volume 26 (18), 2018 Bioorg Med Chem 2018 30249495
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Fujikawa M, Ano R, Nakao K, Shimizu R, Akamatsu M.
Fujikawa M, Ano R, Nakao K, Shimizu R, Akamatsu M.
Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes:... Fujikawa M, Ano R, Nakao K, Shimizu R, Akamatsu M.: Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: application to prediction of Caco-2 cell permeability. Bioorg Med Chem, Volume 13 (15), 4721-4732, 2005 Bioorg Med Chem 2005 15936203
Total substances: 60
Total passive interactions: 110
Total active interactions: 0
Fujikawa M, Nakao K, Shimizu R, Akamatsu M.
Fujikawa M, Nakao K, Shimizu R, Akamatsu M.
QSAR study on permeability of hydrophobic compounds with artificial membranes. Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007 Bioorg Med Chem 2007 17418579
Total substances: 89
Total passive interactions: 89
Total active interactions: 0
Fujimori Y, Katsuno K, Nakashima I, Ishikawa-Takemura Y,...
Fujimori Y, Katsuno K, Nakashima I, Ishikawa-Takemura Y, Fujikura H, Isaji M.
Remogliflozin etabonate, in a novel category of selective low-affinity sodium glucose cotransporter (SGLT2) inhibitors,... Fujimori Y, Katsuno K, Nakashima I, Ishikawa-Takemura Y, Fujikura H, Isaji M.: Remogliflozin etabonate, in a novel category of selective low-affinity sodium glucose cotransporter (SGLT2) inhibitors, exhibits antidiabetic efficacy in rodent models. J Pharmacol Exp Ther, Volume 327 (1), 2008 J Pharmacol Exp Ther 2008 18583547
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Fujimoto T, Kunitomo J, Tomata Y, Nishiyama K, Nakashima M,...
Fujimoto T, Kunitomo J, Tomata Y, Nishiyama K, Nakashima M, Hirozane M, Yoshikubo S, Hirai K, Marui S.
Discovery of potent, selective, orally active benzoxazepine-based Orexin-2 receptor antagonists. Fujimoto T, Kunitomo J, Tomata Y, Nishiyama K, Nakashima M, Hirozane M, Yoshikubo S, Hirai K, Marui S.: Discovery of potent, selective, orally active benzoxazepine-based Orexin-2 receptor antagonists. Bioorg Med Chem Lett, Volume 21 (21), 2011 Bioorg Med Chem Lett 2011 21917455
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Fujino H, Saito T, Ogawa S, Kojima J.
Fujino H, Saito T, Ogawa S, Kojima J.
Transporter-mediated influx and efflux mechanisms of pitavastatin, a new inhibitor of HMG-CoA reductase. Fujino H, Saito T, Ogawa S, Kojima J.: Transporter-mediated influx and efflux mechanisms of pitavastatin, a new inhibitor of HMG-CoA reductase. J Pharm Pharmacol, Volume 57 (10), 2005 J Pharm Pharmacol 2005 16259759
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Fujiwara K, Adachi H, Nishio T, Unno M, Tokui T, Okabe M,...
Fujiwara K, Adachi H, Nishio T, Unno M, Tokui T, Okabe M, Onogawa T, Suzuki T, Asano N, Tanemoto M, Seki M, Shiiba K, Suzuki M, Kondo Y, Nunoki K, Shimosegawa T, Iinuma K, Ito S, Matsuno S, Abe T.
Identification of thyroid hormone transporters in humans: different molecules are involved in a tissue-specific manner. Fujiwara K, Adachi H, Nishio T, Unno M, Tokui T, Okabe M, Onogawa T, Suzuki T, Asano N, Tanemoto M, Seki M, Shiiba K, Suzuki M, Kondo Y, Nunoki K, Shimosegawa T, Iinuma K, Ito S, Matsuno S, Abe T.: Identification of thyroid hormone transporters in humans: different molecules are involved in a tissue-specific manner. Endocrinology, Volume 142 (5), 2001 Endocrinology 2001 11316767
Total substances: 3
Total passive interactions: 0
Total active interactions: 6
Fukunaga K, Sakai D, Watanabe K, Nakayama K, Kohara T,...
Fukunaga K, Sakai D, Watanabe K, Nakayama K, Kohara T, Tanaka H, Sunada S, Nabeno M, Okamoto M, Saito K, Eguchi J, Mori A, Tanaka S, Inazawa K, Horikawa T.
Discovery of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally-active GSK-3β... Fukunaga K, Sakai D, Watanabe K, Nakayama K, Kohara T, Tanaka H, Sunada S, Nabeno M, Okamoto M, Saito K, Eguchi J, Mori A, Tanaka S, Inazawa K, Horikawa T.: Discovery of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally-active GSK-3β inhibitors for Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (5), 2015 Bioorg Med Chem Lett 2015 25655721
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Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R,...
Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.
Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability... Furubayashi T, Inoue D, Nishiyama N, Tanaka A, Yutani R, Kimura S, Katsumi H, Yamamoto A, Sakane T.: Comparison of Various Cell Lines and Three-Dimensional Mucociliary Tissue Model Systems to Estimate Drug Permeability Using an In Vitro Transport Study to Predict Nasal Drug Absorption in Rats. Pharmaceutics, Volume 12 (1), 2020 Pharmaceutics 2020 31963555
Total substances: 8
Total passive interactions: 17
Total active interactions: 0
Fushimi M, Buck H, Balbach M, Gorovyy A, Ferreira J,...
Fushimi M, Buck H, Balbach M, Gorovyy A, Ferreira J, Rossetti T, Kaur N, Levin LR, Buck J, Quast J, van den Heuvel J, Steegborn C, Finkin-Groner E, Kargman S, Michino M, Foley MA, Miller M, Liverton NJ, Huggins DJ, Meinke PT.
Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10). Fushimi M, Buck H, Balbach M, Gorovyy A, Ferreira J, Rossetti T, Kaur N, Levin LR, Buck J, Quast J, van den Heuvel J, Steegborn C, Finkin-Groner E, Kargman S, Michino M, Foley MA, Miller M, Liverton NJ, Huggins DJ, Meinke PT.: Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10). ACS Med Chem Lett, Volume 12 (8), 2021 ACS Med Chem Lett 2021 34413957
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Fushimi N, Fujikura H, Shiohara H, Teranishi H, Shimizu K,...
Fushimi N, Fujikura H, Shiohara H, Teranishi H, Shimizu K, Yonekubo S, Ohno K, Miyagi T, Itoh F, Shibazaki T, Tomae M, Ishikawa-Takemura Y, Nakabayashi T, Kamada N, Ozawa T, Kobayashi S, Isaji M.
Structure-activity relationship studies of 4-benzyl-1H-pyrazol-3-yl β-d-glucopyranoside derivatives as potent and... Fushimi N, Fujikura H, Shiohara H, Teranishi H, Shimizu K, Yonekubo S, Ohno K, Miyagi T, Itoh F, Shibazaki T, Tomae M, Ishikawa-Takemura Y, Nakabayashi T, Kamada N, Ozawa T, Kobayashi S, Isaji M.: Structure-activity relationship studies of 4-benzyl-1H-pyrazol-3-yl β-d-glucopyranoside derivatives as potent and selective sodium glucose co-transporter 1 (SGLT1) inhibitors with therapeutic activity on postprandial hyperglycemia. Bioorg Med Chem, Volume 20 (22), 2012 Bioorg Med Chem 2012 23062824
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Fushimi N, Teranishi H, Shimizu K, Yonekubo S, Ohno K,...
Fushimi N, Teranishi H, Shimizu K, Yonekubo S, Ohno K, Miyagi T, Itoh F, Shibazaki T, Tomae M, Ishikawa-Takemura Y, Nakabayashi T, Kamada N, Yamauchi Y, Kobayashi S, Isaji M.
Design, synthesis, and structure-activity relationships of a series of 4-benzyl-5-isopropyl-1H-pyrazol-3-yl... Fushimi N, Teranishi H, Shimizu K, Yonekubo S, Ohno K, Miyagi T, Itoh F, Shibazaki T, Tomae M, Ishikawa-Takemura Y, Nakabayashi T, Kamada N, Yamauchi Y, Kobayashi S, Isaji M.: Design, synthesis, and structure-activity relationships of a series of 4-benzyl-5-isopropyl-1H-pyrazol-3-yl β-D-glycopyranosides substituted with novel hydrophilic groups as highly potent inhibitors of sodium glucose co-transporter 1 (SGLT1). Bioorg Med Chem, Volume 21 (3), 2013 Bioorg Med Chem 2013 23273606
Total substances: 0
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Gabr M, Murugan NA.
Gabr M, Murugan NA.
Discovery of biphenyl pyrazole scaffold for neurodegenerative diseases: A novel class of acetylcholinesterase-centered... Gabr M, Murugan NA.: Discovery of biphenyl pyrazole scaffold for neurodegenerative diseases: A novel class of acetylcholinesterase-centered multitargeted ligands. Bioorg Med Chem Lett, Volume 30 (17), 2020 Bioorg Med Chem Lett 2020 32738978
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Gabr MT, Abdel-Raziq MS.
Gabr MT, Abdel-Raziq MS.
Pharmacophore-based tailoring of biphenyl amide derivatives as selective 5-hydroxytryptamine 2B receptor antagonists. Gabr MT, Abdel-Raziq MS.: Pharmacophore-based tailoring of biphenyl amide derivatives as selective 5-hydroxytryptamine 2B receptor antagonists. Medchemcomm, Volume 9 (6), 2018 Medchemcomm 2018 30108996
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Gabr MT, Abdel-Raziq MS.
Gabr MT, Abdel-Raziq MS.
Structure-based design, synthesis, and evaluation of structurally rigid donepezil analogues as dual AChE and BACE-1... Gabr MT, Abdel-Raziq MS.: Structure-based design, synthesis, and evaluation of structurally rigid donepezil analogues as dual AChE and BACE-1 inhibitors. Bioorg Med Chem Lett, Volume 28 (17), 2018 Bioorg Med Chem Lett 2018 30017317
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Gabr MT, Brogi S.
Gabr MT, Brogi S.
MicroRNA-Based Multitarget Approach for Alzheimer's Disease: Discovery of the First-In-Class Dual Inhibitor of... Gabr MT, Brogi S.: MicroRNA-Based Multitarget Approach for Alzheimer's Disease: Discovery of the First-In-Class Dual Inhibitor of Acetylcholinesterase and MicroRNA-15b Biogenesis. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32787143
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Gagliardi S, Nadler G, Consolandi E, Parini C, Morvan M,...
Gagliardi S, Nadler G, Consolandi E, Parini C, Morvan M, Legave MN, Belfiore P, Zocchetti A, Clarke GD, James I, Nambi P, Gowen M, Farina C.
5-(5,6-Dichloro-2-indolyl)-2-methoxy-2,4-pentadienamides: novel and selective inhibitors of the vacuolar H+-ATPase of... Gagliardi S, Nadler G, Consolandi E, Parini C, Morvan M, Legave MN, Belfiore P, Zocchetti A, Clarke GD, James I, Nambi P, Gowen M, Farina C.: 5-(5,6-Dichloro-2-indolyl)-2-methoxy-2,4-pentadienamides: novel and selective inhibitors of the vacuolar H+-ATPase of osteoclasts with bone antiresorptive activity. J Med Chem, Volume 41 (10), 1998 J Med Chem 1998 9572882
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Galetti M, Alfieri RR, Cavazzoni A, La Monica S, Bonelli M,...
Galetti M, Alfieri RR, Cavazzoni A, La Monica S, Bonelli M, Fumarola C, Mozzoni P, De Palma G, Andreoli R, Mutti A, Mor M, Tiseo M, Ardizzoni A, Petronini PG.
Functional characterization of gefitinib uptake in non-small cell lung cancer cell lines. Galetti M, Alfieri RR, Cavazzoni A, La Monica S, Bonelli M, Fumarola C, Mozzoni P, De Palma G, Andreoli R, Mutti A, Mor M, Tiseo M, Ardizzoni A, Petronini PG.: Functional characterization of gefitinib uptake in non-small cell lung cancer cell lines. Biochem Pharmacol, Volume 80 (2), 2010 Biochem Pharmacol 2010 20363215
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB,...
Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.
2-Aminothiazoles as therapeutic leads for prion diseases. Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011 J Med Chem 2011 21247166
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Galley G, Beurier A, Décoret G, Goergler A, Hutter R, Mohr...
Galley G, Beurier A, Décoret G, Goergler A, Hutter R, Mohr S, Pähler A, Schmid P, Türck D, Unger R, Zbinden KG, Hoener MC, Norcross RD.
Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists. Galley G, Beurier A, Décoret G, Goergler A, Hutter R, Mohr S, Pähler A, Schmid P, Türck D, Unger R, Zbinden KG, Hoener MC, Norcross RD.: Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists. ACS Med Chem Lett, Volume 7 (2), 2016 ACS Med Chem Lett 2016 26985297
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Galley G, Stalder H, Goergler A, Hoener MC, Norcross RD.
Galley G, Stalder H, Goergler A, Hoener MC, Norcross RD.
Optimisation of imidazole compounds as selective TAAR1 agonists: discovery of RO5073012. Galley G, Stalder H, Goergler A, Hoener MC, Norcross RD.: Optimisation of imidazole compounds as selective TAAR1 agonists: discovery of RO5073012. Bioorg Med Chem Lett, Volume 22 (16), 2012 Bioorg Med Chem Lett 2012 22795332
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Ganapathy ME, Brandsch M, Prasad PD, Ganapathy V, Leibach...
Ganapathy ME, Brandsch M, Prasad PD, Ganapathy V, Leibach FH.
Differential recognition of beta -lactam antibiotics by intestinal and renal peptide transporters, PEPT 1 and PEPT 2. Ganapathy ME, Brandsch M, Prasad PD, Ganapathy V, Leibach FH.: Differential recognition of beta -lactam antibiotics by intestinal and renal peptide transporters, PEPT 1 and PEPT 2. J Biol Chem, Volume 270 (43), 1995 J Biol Chem 1995 7592745
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Ganapathy ME, Huang W, Rajan DP, Carter AL, Sugawara M,...
Ganapathy ME, Huang W, Rajan DP, Carter AL, Sugawara M, Iseki K, Leibach FH, Ganapathy V.
beta-lactam antibiotics as substrates for OCTN2, an organic cation/carnitine transporter. Ganapathy ME, Huang W, Rajan DP, Carter AL, Sugawara M, Iseki K, Leibach FH, Ganapathy V.: beta-lactam antibiotics as substrates for OCTN2, an organic cation/carnitine transporter. J Biol Chem, Volume 275 (3), 2000 J Biol Chem 2000 10636865
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Ganapathy ME, Prasad PD, Mackenzie B, Ganapathy V, Leibach...
Ganapathy ME, Prasad PD, Mackenzie B, Ganapathy V, Leibach FH.
Interaction of anionic cephalosporins with the intestinal and renal peptide transporters PEPT 1 and PEPT 2. Ganapathy ME, Prasad PD, Mackenzie B, Ganapathy V, Leibach FH.: Interaction of anionic cephalosporins with the intestinal and renal peptide transporters PEPT 1 and PEPT 2. Biochim Biophys Acta, Volume 1324 (2), 1997 Biochim Biophys Acta 1997 9092716
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Gao B, Huber RD, Wenzel A, Vavricka SR, Ismair MG, Remé C,...
Gao B, Huber RD, Wenzel A, Vavricka SR, Ismair MG, Remé C, Meier PJ.
Localization of organic anion transporting polypeptides in the rat and human ciliary body epithelium. Gao B, Huber RD, Wenzel A, Vavricka SR, Ismair MG, Remé C, Meier PJ.: Localization of organic anion transporting polypeptides in the rat and human ciliary body epithelium. Exp Eye Res, Volume 80 (1), 2005 Exp Eye Res 2005 15652527
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Gao C, Zhang H, Guo Z, You T, Chen X, Zhong D.
Gao C, Zhang H, Guo Z, You T, Chen X, Zhong D.
Mechanistic studies on the absorption and disposition of scutellarin in humans: selective OATP2B1-mediated hepatic... Gao C, Zhang H, Guo Z, You T, Chen X, Zhong D.: Mechanistic studies on the absorption and disposition of scutellarin in humans: selective OATP2B1-mediated hepatic uptake is a likely key determinant for its unique pharmacokinetic characteristics. Drug Metab Dispos, Volume 40 (10), 2012 Drug Metab Dispos 2012 22822035
Total substances: 1
Total passive interactions: 0
Total active interactions: 4
Gao D, Li Y.
Gao D, Li Y.
Identification and preliminary structure-activity relationships of 1-Indanone derivatives as novel... Gao D, Li Y.: Identification and preliminary structure-activity relationships of 1-Indanone derivatives as novel indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors. Bioorg Med Chem, Volume 25 (14), 2017 Bioorg Med Chem 2017 28526475
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Gao P, Cheng X, Sun L, Song S, Álvarez M, Luczkowiak J,...
Gao P, Cheng X, Sun L, Song S, Álvarez M, Luczkowiak J, Pannecouque C, De Clercq E, Menéndez-Arias L, Zhan P, Liu X.
Design, synthesis and biological evaluation of 3-hydroxyquinazoline-2,4(1H,3H)-diones as dual inhibitors of HIV-1... Gao P, Cheng X, Sun L, Song S, Álvarez M, Luczkowiak J, Pannecouque C, De Clercq E, Menéndez-Arias L, Zhan P, Liu X.: Design, synthesis and biological evaluation of 3-hydroxyquinazoline-2,4(1H,3H)-diones as dual inhibitors of HIV-1 reverse transcriptase-associated RNase H and integrase. Bioorg Med Chem, Volume 27 (17), 2019 Bioorg Med Chem 2019 31324562
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Gao Z, Hurst WJ, Guillot E, Czechtizky W, Lukasczyk U,...
Gao Z, Hurst WJ, Guillot E, Czechtizky W, Lukasczyk U, Nagorny R, Pruniaux MP, Schwink L, Sanchez JA, Stengelin S, Tang L, Winkler I, Hendrix JA, George PG.
Discovery of aryl ureas and aryl amides as potent and selective histamine H3 receptor antagonists for the treatment of... Gao Z, Hurst WJ, Guillot E, Czechtizky W, Lukasczyk U, Nagorny R, Pruniaux MP, Schwink L, Sanchez JA, Stengelin S, Tang L, Winkler I, Hendrix JA, George PG.: Discovery of aryl ureas and aryl amides as potent and selective histamine H3 receptor antagonists for the treatment of obesity (part II). Bioorg Med Chem Lett, Volume 23 (11), 2013 Bioorg Med Chem Lett 2013 23591112
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P Garberg, M Ball, N Borg, R Cecchelli, L Fenart, R D...
P Garberg, M Ball, N Borg, R Cecchelli, L Fenart, R D Hurst, T Lindmark, A Mabondzo, J E Nilsson, T J Raub, D Stanimirovic, T Terasaki, J-O Oberg, T Osterberg
In vitro models for the blood-brain barrier Garberg P, Ball M, Borg N, Cecchelli R, Fenart L, Hurst RD, Lindmark T, Mabondzo A, Nilsson JE, Raub TJ, Stanimirovic D, Terasaki T, Oberg JO, Osterberg T. In vitro models for the blood-brain barrier. Toxicol In Vitro. 2005 Apr;19(3):299-334. Toxicol In Vitro 2005 15713540
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García AM, Brea J, Morales-García JA, Perez DI, González...
García AM, Brea J, Morales-García JA, Perez DI, González A, Alonso-Gil S, Gracia-Rubio I, Ros-Simó C, Conde S, Cadavid MI, Loza MI, Perez-Castillo A, Valverde O, Martinez A, Gil C.
Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. García AM, Brea J, Morales-García JA, Perez DI, González A, Alonso-Gil S, Gracia-Rubio I, Ros-Simó C, Conde S, Cadavid MI, Loza MI, Perez-Castillo A, Valverde O, Martinez A, Gil C.: Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. J Med Chem, Volume 57 (20), 2014 J Med Chem 2014 25264825
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Garcia Fortanet J, Chen CH, Chen YN, Chen Z, Deng Z,...
Garcia Fortanet J, Chen CH, Chen YN, Chen Z, Deng Z, Firestone B, Fekkes P, Fodor M, Fortin PD, Fridrich C, Grunenfelder D, Ho S, Kang ZB, Karki R, Kato M, Keen N, LaBonte LR, Larrow J, Lenoir F, Liu G, Liu S, Lombardo F, Majumdar D, Meyer MJ, Palermo M, Perez L, Pu M, Ramsey T, Sellers WR, Shultz MD, Stams T, Towler C, Wang P, Williams SL, Zhang JH, LaMarche MJ.
Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor. Garcia Fortanet J, Chen CH, Chen YN, Chen Z, Deng Z, Firestone B, Fekkes P, Fodor M, Fortin PD, Fridrich C, Grunenfelder D, Ho S, Kang ZB, Karki R, Kato M, Keen N, LaBonte LR, Larrow J, Lenoir F, Liu G, Liu S, Lombardo F, Majumdar D, Meyer MJ, Palermo M, Perez L, Pu M, Ramsey T, Sellers WR, Shultz MD, Stams T, Towler C, Wang P, Williams SL, Zhang JH, LaMarche MJ.: Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor. J Med Chem, Volume 59 (17), 2016 J Med Chem 2016 27347692
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García M, Llorente V, Garriga L, Christmann U,...
García M, Llorente V, Garriga L, Christmann U, Rodríguez-Escrich S, Virgili M, Fernández B, Bordas M, Ayet E, Burgueño J, Pujol M, Dordal A, Portillo-Salido E, Gris G, Vela JM, Almansa C.
Propionamide Derivatives as Dual μ-Opioid Receptor Agonists and σ1 Receptor Antagonists for the Treatment... García M, Llorente V, Garriga L, Christmann U, Rodríguez-Escrich S, Virgili M, Fernández B, Bordas M, Ayet E, Burgueño J, Pujol M, Dordal A, Portillo-Salido E, Gris G, Vela JM, Almansa C.: Propionamide Derivatives as Dual μ-Opioid Receptor Agonists and σ1 Receptor Antagonists for the Treatment of Pain. J Med Chem, Volume 64 (14), 2021 J Med Chem 2021 34236190
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García M, Virgili M, Alonso M, Alegret C, Farran J,...
García M, Virgili M, Alonso M, Alegret C, Farran J, Fernández B, Bordas M, Pascual R, Burgueño J, Vidal-Torres A, Fernández de Henestrosa AR, Ayet E, Merlos M, Vela JM, Plata-Salamán CR, Almansa C.
Discovery of EST73502, a Dual μ-Opioid Receptor Agonist and σ1 Receptor Antagonist Clinical Candidate for... García M, Virgili M, Alonso M, Alegret C, Farran J, Fernández B, Bordas M, Pascual R, Burgueño J, Vidal-Torres A, Fernández de Henestrosa AR, Ayet E, Merlos M, Vela JM, Plata-Salamán CR, Almansa C.: Discovery of EST73502, a Dual μ-Opioid Receptor Agonist and σ1 Receptor Antagonist Clinical Candidate for the Treatment of Pain. J Med Chem, Volume 63 (24), 2020 J Med Chem 2020 33064947
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Garcia-Valdes J, Zamudio FZ, Toro L, Possani LD.
Garcia-Valdes J, Zamudio FZ, Toro L, Possani LD.
Slotoxin, alphaKTx1.11, a new scorpion peptide blocker of MaxiK channels that differentiates between alpha and... Garcia-Valdes J, Zamudio FZ, Toro L, Possani LD.: Slotoxin, alphaKTx1.11, a new scorpion peptide blocker of MaxiK channels that differentiates between alpha and alpha+beta (beta1 or beta4) complexes. FEBS Lett, Volume 505 (3), 2001 FEBS Lett 2001 11576530
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Gardelli C, Wada H, Ray A, Caffrey M, Llinas A, Shamovsky...
Gardelli C, Wada H, Ray A, Caffrey M, Llinas A, Shamovsky I, Tholander J, Larsson J, Sivars U, Hultin L, Andersson U, Sanganee HJ, Stenvall K, Leidvik B, Gedda K, Jinton L, Rydén Landergren M, Karabelas K.
Identification and Pharmacological Profile of an Indane Based Series of Ghrelin Receptor Full Agonists. Gardelli C, Wada H, Ray A, Caffrey M, Llinas A, Shamovsky I, Tholander J, Larsson J, Sivars U, Hultin L, Andersson U, Sanganee HJ, Stenvall K, Leidvik B, Gedda K, Jinton L, Rydén Landergren M, Karabelas K.: Identification and Pharmacological Profile of an Indane Based Series of Ghrelin Receptor Full Agonists. J Med Chem, Volume 61 (14), 2018 J Med Chem 2018 29909635
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Garland K, Pantua H, Braun MG, Burdick DJ, Castanedo GM,...
Garland K, Pantua H, Braun MG, Burdick DJ, Castanedo GM, Chen YC, Cheng YX, Cheong J, Daniels B, Deshmukh G, Fu Y, Gibbons P, Gloor SL, Hua R, Labadie S, Liu X, Pastor R, Stivala C, Xu M, Xu Y, Zheng H, Kapadia SB, Hanan EJ.
Optimization of globomycin analogs as novel gram-negative antibiotics. Garland K, Pantua H, Braun MG, Burdick DJ, Castanedo GM, Chen YC, Cheng YX, Cheong J, Daniels B, Deshmukh G, Fu Y, Gibbons P, Gloor SL, Hua R, Labadie S, Liu X, Pastor R, Stivala C, Xu M, Xu Y, Zheng H, Kapadia SB, Hanan EJ.: Optimization of globomycin analogs as novel gram-negative antibiotics. Bioorg Med Chem Lett, Volume 30 (20), 2020 Bioorg Med Chem Lett 2020 32768648
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Gavai AV, Fink BE, Fairfax DJ, Martin GS, Rossiter LM,...
Gavai AV, Fink BE, Fairfax DJ, Martin GS, Rossiter LM, Holst CL, Kim SH, Leavitt KJ, Mastalerz H, Han WC, Norris D, Goyal B, Swaminathan S, Patel B, Mathur A, Vyas DM, Tokarski JS, Yu C, Oppenheimer S, Zhang H, Marathe P, Fargnoli J, Lee FY, Wong TW, Vite GD.
Discovery and preclinical evaluation of... Gavai AV, Fink BE, Fairfax DJ, Martin GS, Rossiter LM, Holst CL, Kim SH, Leavitt KJ, Mastalerz H, Han WC, Norris D, Goyal B, Swaminathan S, Patel B, Mathur A, Vyas DM, Tokarski JS, Yu C, Oppenheimer S, Zhang H, Marathe P, Fargnoli J, Lee FY, Wong TW, Vite GD.: Discovery and preclinical evaluation of [4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamic acid, (3S)-3-morpholinylmethyl ester (BMS-599626), a selective and orally efficacious inhibitor of human epidermal growth factor receptor 1 and 2 kinases. J Med Chem, Volume 52 (21), 2009 J Med Chem 2009 19821562
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Gavai AV, Norris D, Delucca G, Tortolani D, Tokarski JS,...
Gavai AV, Norris D, Delucca G, Tortolani D, Tokarski JS, Dodd D, O'Malley D, Zhao Y, Quesnelle C, Gill P, Vaccaro W, Huynh T, Ahuja V, Han WC, Mussari C, Harikrishnan L, Kamau M, Poss M, Sheriff S, Yan C, Marsilio F, Menard K, Wen ML, Rampulla R, Wu DR, Li J, Zhang H, Li P, Sun D, Yip H, Traeger SC, Zhang Y, Mathur A, Zhang H, Huang C, Yang Z, Ranasinghe A, Everlof G, Raghavan N, Tye CK, Wee S, Hunt JT, Vite G, Westhouse R, Lee FY.
Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping... Gavai AV, Norris D, Delucca G, Tortolani D, Tokarski JS, Dodd D, O'Malley D, Zhao Y, Quesnelle C, Gill P, Vaccaro W, Huynh T, Ahuja V, Han WC, Mussari C, Harikrishnan L, Kamau M, Poss M, Sheriff S, Yan C, Marsilio F, Menard K, Wen ML, Rampulla R, Wu DR, Li J, Zhang H, Li P, Sun D, Yip H, Traeger SC, Zhang Y, Mathur A, Zhang H, Huang C, Yang Z, Ranasinghe A, Everlof G, Raghavan N, Tye CK, Wee S, Hunt JT, Vite G, Westhouse R, Lee FY.: Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J Med Chem, Volume 64 (19), 2021 J Med Chem 2021 34543572
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Gebauer S, Knütter I, Hartrodt B, Brandsch M, Neubert K,...
Gebauer S, Knütter I, Hartrodt B, Brandsch M, Neubert K, Thondorf I.
Three-dimensional quantitative structure-activity relationship analyses of peptide substrates of the mammalian... Gebauer S, Knütter I, Hartrodt B, Brandsch M, Neubert K, Thondorf I.: Three-dimensional quantitative structure-activity relationship analyses of peptide substrates of the mammalian H+/peptide cotransporter PEPT1. J Med Chem, Volume 46 (26), 2003 J Med Chem 2003 14667225
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Gedeon C, Behravan J, Koren G, Piquette-Miller M.
Gedeon C, Behravan J, Koren G, Piquette-Miller M.
Transport of glyburide by placental ABC transporters: implications in fetal drug exposure. Gedeon C, Behravan J, Koren G, Piquette-Miller M.: Transport of glyburide by placental ABC transporters: implications in fetal drug exposure. Placenta, Volume 27 (11-12), 2006 Placenta 2006 16460798
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Gehling VS, Bellon SF, Harmange JC, LeBlanc Y, Poy F, Odate...
Gehling VS, Bellon SF, Harmange JC, LeBlanc Y, Poy F, Odate S, Buker S, Lan F, Arora S, Williamson KE, Sandy P, Cummings RT, Bailey CM, Bergeron L, Mao W, Gustafson A, Liu Y, VanderPorten E, Audia JE, Trojer P, Albrecht BK.
Identification of potent, selective KDM5 inhibitors. Gehling VS, Bellon SF, Harmange JC, LeBlanc Y, Poy F, Odate S, Buker S, Lan F, Arora S, Williamson KE, Sandy P, Cummings RT, Bailey CM, Bergeron L, Mao W, Gustafson A, Liu Y, VanderPorten E, Audia JE, Trojer P, Albrecht BK.: Identification of potent, selective KDM5 inhibitors. Bioorg Med Chem Lett, Volume 26 (17), 2016 Bioorg Med Chem Lett 2016 27476424
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Geldenhuys WJ, Bergeron SA, Mullins JE, Aljammal R, Gaasch...
Geldenhuys WJ, Bergeron SA, Mullins JE, Aljammal R, Gaasch BL, Chen WC, Yun J, Hazlehurst LA.
High-content screen using zebrafish (Danio rerio) embryos identifies a novel kinase activator and inhibitor. Geldenhuys WJ, Bergeron SA, Mullins JE, Aljammal R, Gaasch BL, Chen WC, Yun J, Hazlehurst LA.: High-content screen using zebrafish (Danio rerio) embryos identifies a novel kinase activator and inhibitor. Bioorg Med Chem Lett, Volume 27 (9), 2017 Bioorg Med Chem Lett 2017 28320616
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Geneste H, Amberg W, Backfisch G, Beyerbach A, Braje WM,...
Geneste H, Amberg W, Backfisch G, Beyerbach A, Braje WM, Delzer J, Haupt A, Hutchins CW, King LL, Sauer DR, Unger L, Wernet W.
Synthesis and SAR of highly potent and selective dopamine D3-receptor antagonists: variations on the 1H-pyrimidin-2-one... Geneste H, Amberg W, Backfisch G, Beyerbach A, Braje WM, Delzer J, Haupt A, Hutchins CW, King LL, Sauer DR, Unger L, Wernet W.: Synthesis and SAR of highly potent and selective dopamine D3-receptor antagonists: variations on the 1H-pyrimidin-2-one theme. Bioorg Med Chem Lett, Volume 16 (7), 2006 Bioorg Med Chem Lett 2006 16439127
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Geneste H, Backfisch G, Braje W, Delzer J, Haupt A,...
Geneste H, Backfisch G, Braje W, Delzer J, Haupt A, Hutchins CW, King LL, Kling A, Teschendorf HJ, Unger L, Wernet W.
Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: 1H-pyrimidin-2-one derivatives. Geneste H, Backfisch G, Braje W, Delzer J, Haupt A, Hutchins CW, King LL, Kling A, Teschendorf HJ, Unger L, Wernet W.: Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: 1H-pyrimidin-2-one derivatives. Bioorg Med Chem Lett, Volume 16 (3), 2006 Bioorg Med Chem Lett 2006 16290141
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Geneste H, Backfisch G, Braje W, Delzer J, Haupt A,...
Geneste H, Backfisch G, Braje W, Delzer J, Haupt A, Hutchins CW, King LL, Lubisch W, Steiner G, Teschendorf HJ, Unger L, Wernet W.
Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: Quinolin(di)one and... Geneste H, Backfisch G, Braje W, Delzer J, Haupt A, Hutchins CW, King LL, Lubisch W, Steiner G, Teschendorf HJ, Unger L, Wernet W.: Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: Quinolin(di)one and benzazepin(di)one derivatives. herve.geneste@abbott.com. Bioorg Med Chem Lett, Volume 16 (3), 2006 Bioorg Med Chem Lett 2006 16271293
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Genicot C, Christophe B, Collart P, Gillard M, Goossens L,...
Genicot C, Christophe B, Collart P, Gillard M, Goossens L, Hénichart JP, Lassoie MA, Moureau F, Neuwels M, Nicolas JM, Pasau P, Quéré L, Ryckmans T, Stiernet F, Taverne T, Van Keulen BJ.
Discovery of orally bioavailable NK1 receptor antagonists. Genicot C, Christophe B, Collart P, Gillard M, Goossens L, Hénichart JP, Lassoie MA, Moureau F, Neuwels M, Nicolas JM, Pasau P, Quéré L, Ryckmans T, Stiernet F, Taverne T, Van Keulen BJ.: Discovery of orally bioavailable NK1 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (3), 2003 Bioorg Med Chem Lett 2003 12565946
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Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K,...
Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.
Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric... Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014 J Med Chem 2014 24397558
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Gentry PR, Kokubo M, Bridges TM, Noetzel MJ, Cho HP, Lamsal...
Gentry PR, Kokubo M, Bridges TM, Noetzel MJ, Cho HP, Lamsal A, Smith E, Chase P, Hodder PS, Niswender CM, Daniels JS, Conn PJ, Lindsley CW, Wood MR.
Development of a highly potent, novel M5 positive allosteric modulator (PAM) demonstrating CNS exposure:... Gentry PR, Kokubo M, Bridges TM, Noetzel MJ, Cho HP, Lamsal A, Smith E, Chase P, Hodder PS, Niswender CM, Daniels JS, Conn PJ, Lindsley CW, Wood MR.: Development of a highly potent, novel M5 positive allosteric modulator (PAM) demonstrating CNS exposure: 1-((1H-indazol-5-yl)sulfoneyl)-N-ethyl-N-(2-(trifluoromethyl)benzyl)piperidine-4-carboxamide (ML380). J Med Chem, Volume 57 (18), 2014 J Med Chem 2014 25147929
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Georgsson J, Bergström F, Nordqvist A, Watson MJ, Blundell...
Georgsson J, Bergström F, Nordqvist A, Watson MJ, Blundell CD, Johansson MJ, Petersson AU, Yuan ZQ, Zhou Y, Kristensson L, Kakol-Palm D, Tyrchan C, Wellner E, Bauer U, Brodin P, Svensson Henriksson A.
GPR103 antagonists demonstrating anorexigenic activity in vivo: design and development of pyrrolo[2,3-c]pyridines that... Georgsson J, Bergström F, Nordqvist A, Watson MJ, Blundell CD, Johansson MJ, Petersson AU, Yuan ZQ, Zhou Y, Kristensson L, Kakol-Palm D, Tyrchan C, Wellner E, Bauer U, Brodin P, Svensson Henriksson A.: GPR103 antagonists demonstrating anorexigenic activity in vivo: design and development of pyrrolo[2,3-c]pyridines that mimic the C-terminal Arg-Phe motif of QRFP26. J Med Chem, Volume 57 (14), 2014 J Med Chem 2014 24937104
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Gerlach K, Hobson S, Eickmeier C, Groß U, Braun C, Sieger...
Gerlach K, Hobson S, Eickmeier C, Groß U, Braun C, Sieger P, Garneau M, Hoerer S, Heine N.
Discovery of tetrahydroindazoles as a novel class of potent and in vivo efficacious gamma secretase modulators. Gerlach K, Hobson S, Eickmeier C, Groß U, Braun C, Sieger P, Garneau M, Hoerer S, Heine N.: Discovery of tetrahydroindazoles as a novel class of potent and in vivo efficacious gamma secretase modulators. Bioorg Med Chem, Volume 26 (12), 2018 Bioorg Med Chem 2018 29735425
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Germain AR, Carmody LC, Nag PP, Morgan B, Verplank L,...
Germain AR, Carmody LC, Nag PP, Morgan B, Verplank L, Fernandez C, Donckele E, Feng Y, Perez JR, Dandapani S, Palmer M, Lander ES, Gupta PB, Schreiber SL, Munoz B.
Cinnamides as selective small-molecule inhibitors of a cellular model of breast cancer stem cells. Germain AR, Carmody LC, Nag PP, Morgan B, Verplank L, Fernandez C, Donckele E, Feng Y, Perez JR, Dandapani S, Palmer M, Lander ES, Gupta PB, Schreiber SL, Munoz B.: Cinnamides as selective small-molecule inhibitors of a cellular model of breast cancer stem cells. Bioorg Med Chem Lett, Volume 23 (6), 2013 Bioorg Med Chem Lett 2013 23403082
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Getlik M, Smil D, Zepeda-Velázquez C, Bolshan Y, Poda G,...
Getlik M, Smil D, Zepeda-Velázquez C, Bolshan Y, Poda G, Wu H, Dong A, Kuznetsova E, Marcellus R, Senisterra G, Dombrovski L, Hajian T, Kiyota T, Schapira M, Arrowsmith CH, Brown PJ, Vedadi M, Al-Awar R.
Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5... Getlik M, Smil D, Zepeda-Velázquez C, Bolshan Y, Poda G, Wu H, Dong A, Kuznetsova E, Marcellus R, Senisterra G, Dombrovski L, Hajian T, Kiyota T, Schapira M, Arrowsmith CH, Brown PJ, Vedadi M, Al-Awar R.: Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J Med Chem, Volume 59 (6), 2016 J Med Chem 2016 26958703
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Ghosh S, Elder A, Guo J, Mani U, Patane M, Carson K, Ye Q,...
Ghosh S, Elder A, Guo J, Mani U, Patane M, Carson K, Ye Q, Bennett R, Chi S, Jenkins T, Guan B, Kolbeck R, Smith S, Zhang C, LaRosa G, Jaffee B, Yang H, Eddy P, Lu C, Uttamsingh V, Horlick R, Harriman G, Flynn D.
Design, synthesis, and progress toward optimization of potent small molecule antagonists of CC chemokine receptor 8... Ghosh S, Elder A, Guo J, Mani U, Patane M, Carson K, Ye Q, Bennett R, Chi S, Jenkins T, Guan B, Kolbeck R, Smith S, Zhang C, LaRosa G, Jaffee B, Yang H, Eddy P, Lu C, Uttamsingh V, Horlick R, Harriman G, Flynn D.: Design, synthesis, and progress toward optimization of potent small molecule antagonists of CC chemokine receptor 8 (CCR8). J Med Chem, Volume 49 (9), 2006 J Med Chem 2006 16640325
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Ghysels A, Venable RM, Pastor RW, Hummer G.
Ghysels A, Venable RM, Pastor RW, Hummer G.
Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes. Ghysels A, Venable RM, Pastor RW, Hummer G.: Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes. J Chem Theory Comput, Volume 13 (6), 2962-2976, 2017 J Chem Theory Comput 2017 28482659
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Giacobbo BC, Pissinate K, Rodrigues-Junior V, Villela AD,...
Giacobbo BC, Pissinate K, Rodrigues-Junior V, Villela AD, Grams ES, Abbadi BL, Subtil FT, Sperotto N, Trindade RV, Back DF, Campos MM, Basso LA, Machado P, Santos DS.
New insights into the SAR and drug combination synergy of 2-(quinolin-4-yloxy)acetamides against Mycobacterium... Giacobbo BC, Pissinate K, Rodrigues-Junior V, Villela AD, Grams ES, Abbadi BL, Subtil FT, Sperotto N, Trindade RV, Back DF, Campos MM, Basso LA, Machado P, Santos DS.: New insights into the SAR and drug combination synergy of 2-(quinolin-4-yloxy)acetamides against Mycobacterium tuberculosis. Eur J Med Chem, Volume 126, 2017 Eur J Med Chem 2017 27914363
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Gianella-Borradori M, Christou I, Bataille CJ, Cross RL,...
Gianella-Borradori M, Christou I, Bataille CJ, Cross RL, Wynne GM, Greaves DR, Russell AJ.
Ligand-based virtual screening identifies a family of selective cannabinoid receptor 2 agonists. Gianella-Borradori M, Christou I, Bataille CJ, Cross RL, Wynne GM, Greaves DR, Russell AJ.: Ligand-based virtual screening identifies a family of selective cannabinoid receptor 2 agonists. Bioorg Med Chem, Volume 23 (1), 2015 Bioorg Med Chem 2015 25487422
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Giannetti AM, Zheng X, Skelton NJ, Wang W, Bravo BJ, Bair...
Giannetti AM, Zheng X, Skelton NJ, Wang W, Bravo BJ, Bair KW, Baumeister T, Cheng E, Crocker L, Feng Y, Gunzner-Toste J, Ho YC, Hua R, Liederer BM, Liu Y, Ma X, O'Brien T, Oeh J, Sampath D, Shen Y, Wang C, Wang L, Wu H, Xiao Y, Yuen PW, Zak M, Zhao G, Zhao Q, Dragovich PS.
Fragment-based identification of amides derived from trans-2-(pyridin-3-yl)cyclopropanecarboxylic acid as potent... Giannetti AM, Zheng X, Skelton NJ, Wang W, Bravo BJ, Bair KW, Baumeister T, Cheng E, Crocker L, Feng Y, Gunzner-Toste J, Ho YC, Hua R, Liederer BM, Liu Y, Ma X, O'Brien T, Oeh J, Sampath D, Shen Y, Wang C, Wang L, Wu H, Xiao Y, Yuen PW, Zak M, Zhao G, Zhao Q, Dragovich PS.: Fragment-based identification of amides derived from trans-2-(pyridin-3-yl)cyclopropanecarboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). J Med Chem, Volume 57 (3), 2014 J Med Chem 2014 24405419
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Giardina SF, Werner DS, Pingle M, Feinberg PB, Foreman KW,...
Giardina SF, Werner DS, Pingle M, Feinberg PB, Foreman KW, Bergstrom DE, Arnold LD, Barany F.
Novel, Self-Assembling Dimeric Inhibitors of Human β Tryptase. Giardina SF, Werner DS, Pingle M, Feinberg PB, Foreman KW, Bergstrom DE, Arnold LD, Barany F.: Novel, Self-Assembling Dimeric Inhibitors of Human β Tryptase. J Med Chem, Volume 63 (6), 2020 J Med Chem 2020 32057241
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Gibbs AC, Abad MC, Zhang X, Tounge BA, Lewandowski FA,...
Gibbs AC, Abad MC, Zhang X, Tounge BA, Lewandowski FA, Struble GT, Sun W, Sui Z, Kuo LC.
Electron density guided fragment-based lead discovery of ketohexokinase inhibitors. Gibbs AC, Abad MC, Zhang X, Tounge BA, Lewandowski FA, Struble GT, Sun W, Sui Z, Kuo LC.: Electron density guided fragment-based lead discovery of ketohexokinase inhibitors. J Med Chem, Volume 53 (22), 2010 J Med Chem 2010 21033679
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Gilbert AM, Bursavich MG, Alon N, Bhat BM, Bex FJ, Cain M,...
Gilbert AM, Bursavich MG, Alon N, Bhat BM, Bex FJ, Cain M, Coleburn V, Gironda V, Green P, Hauze DB, Kharode Y, Krishnamurthy G, Kirisits M, Lam HS, Liu YB, Lombardi S, Matteo J, Murrills R, Robinson JA, Selim S, Sharp M, Unwalla R, Varadarajan U, Zhao W, Yaworsky PJ.
Hit to lead studies on (hetero)arylpyrimidines--agonists of the canonical Wnt-beta-catenin cellular messaging system. Gilbert AM, Bursavich MG, Alon N, Bhat BM, Bex FJ, Cain M, Coleburn V, Gironda V, Green P, Hauze DB, Kharode Y, Krishnamurthy G, Kirisits M, Lam HS, Liu YB, Lombardi S, Matteo J, Murrills R, Robinson JA, Selim S, Sharp M, Unwalla R, Varadarajan U, Zhao W, Yaworsky PJ.: Hit to lead studies on (hetero)arylpyrimidines--agonists of the canonical Wnt-beta-catenin cellular messaging system. Bioorg Med Chem Lett, Volume 20 (1), 2010 Bioorg Med Chem Lett 2010 19897365
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Gilleran JA, Yu X, Blayney AJ, Bencivenga AF, Na B, Augeri...
Gilleran JA, Yu X, Blayney AJ, Bencivenga AF, Na B, Augeri DJ, Blanden AR, Kimball SD, Loh SN, Roberge JY, Carpizo DR.
Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53. Gilleran JA, Yu X, Blayney AJ, Bencivenga AF, Na B, Augeri DJ, Blanden AR, Kimball SD, Loh SN, Roberge JY, Carpizo DR.: Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53. J Med Chem, Volume 64 (4), 2021 J Med Chem 2021 33538587
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Gillespie P, Pietranico-Cole S, Myers M, Bilotta JA,...
Gillespie P, Pietranico-Cole S, Myers M, Bilotta JA, Conde-Knape K, Fotouhi N, Goodnow RA, Guertin KR, Hamilton MM, Haynes NE, Liu B, Qi L, Ren Y, Scott NR, So SS, Spence C, Taub R, Thakkar K, Tilley JW, Zwingelstein C.
Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors. Gillespie P, Pietranico-Cole S, Myers M, Bilotta JA, Conde-Knape K, Fotouhi N, Goodnow RA, Guertin KR, Hamilton MM, Haynes NE, Liu B, Qi L, Ren Y, Scott NR, So SS, Spence C, Taub R, Thakkar K, Tilley JW, Zwingelstein C.: Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett, Volume 24 (12), 2014 Bioorg Med Chem Lett 2014 24815509
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Gillespie RJ, Bamford SJ, Botting R, Comer M, Denny S, Gaur...
Gillespie RJ, Bamford SJ, Botting R, Comer M, Denny S, Gaur S, Griffin M, Jordan AM, Knight AR, Lerpiniere J, Leonardi S, Lightowler S, McAteer S, Merrett A, Misra A, Padfield A, Reece M, Saadi M, Selwood DL, Stratton GC, Surry D, Todd R, Tong X, Ruston V, Upton R, Weiss SM.
Antagonists of the human A(2A) adenosine receptor. 4. Design, synthesis, and preclinical evaluation of... Gillespie RJ, Bamford SJ, Botting R, Comer M, Denny S, Gaur S, Griffin M, Jordan AM, Knight AR, Lerpiniere J, Leonardi S, Lightowler S, McAteer S, Merrett A, Misra A, Padfield A, Reece M, Saadi M, Selwood DL, Stratton GC, Surry D, Todd R, Tong X, Ruston V, Upton R, Weiss SM.: Antagonists of the human A(2A) adenosine receptor. 4. Design, synthesis, and preclinical evaluation of 7-aryltriazolo[4,5-d]pyrimidines. J Med Chem, Volume 52 (1), 2009 J Med Chem 2009 19072055
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Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu...
Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.
Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006 Bioorg Med Chem Lett 2006 16516466
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Gilmore JL, Sheppeck JE, Watterson SH, Haque L,...
Gilmore JL, Sheppeck JE, Watterson SH, Haque L, Mukhopadhyay P, Tebben AJ, Galella MA, Shen DR, Yarde M, Cvijic ME, Borowski V, Gillooly K, Taylor T, McIntyre KW, Warrack B, Levesque PC, Li JP, Cornelius G, D'Arienzo C, Marino A, Balimane P, Salter-Cid L, Barrish JC, Pitts WJ, Carter PH, Xie J, Dyckman AJ.
Discovery and Structure-Activity Relationship (SAR) of a Series of Ethanolamine-Based Direct-Acting Agonists of... Gilmore JL, Sheppeck JE, Watterson SH, Haque L, Mukhopadhyay P, Tebben AJ, Galella MA, Shen DR, Yarde M, Cvijic ME, Borowski V, Gillooly K, Taylor T, McIntyre KW, Warrack B, Levesque PC, Li JP, Cornelius G, D'Arienzo C, Marino A, Balimane P, Salter-Cid L, Barrish JC, Pitts WJ, Carter PH, Xie J, Dyckman AJ.: Discovery and Structure-Activity Relationship (SAR) of a Series of Ethanolamine-Based Direct-Acting Agonists of Sphingosine-1-phosphate (S1P1). J Med Chem, Volume 59 (13), 2016 J Med Chem 2016 27309907
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Ginman T, Viklund J, Malmström J, Blid J, Emond R,...
Ginman T, Viklund J, Malmström J, Blid J, Emond R, Forsblom R, Johansson A, Kers A, Lake F, Sehgelmeble F, Sterky KJ, Bergh M, Lindgren A, Johansson P, Jeppsson F, Fälting J, Gravenfors Y, Rahm F.
Core refinement toward permeable β-secretase (BACE-1) inhibitors with low hERG activity. Ginman T, Viklund J, Malmström J, Blid J, Emond R, Forsblom R, Johansson A, Kers A, Lake F, Sehgelmeble F, Sterky KJ, Bergh M, Lindgren A, Johansson P, Jeppsson F, Fälting J, Gravenfors Y, Rahm F.: Core refinement toward permeable β-secretase (BACE-1) inhibitors with low hERG activity. J Med Chem, Volume 56 (11), 2013 J Med Chem 2013 23126626
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Giordanetto F, Bach P, Zetterberg F, Antonsson T, Bylund R,...
Giordanetto F, Bach P, Zetterberg F, Antonsson T, Bylund R, Johansson J, Sellén M, Brown D, Hideståhl L, Berntsson P, Hovdal D, Zachrisson H, Björkman JA, van Giezen JJ.
Optimization of ketone-based P2Y(12) receptor antagonists as antithrombotic agents: pharmacodynamics and receptor... Giordanetto F, Bach P, Zetterberg F, Antonsson T, Bylund R, Johansson J, Sellén M, Brown D, Hideståhl L, Berntsson P, Hovdal D, Zachrisson H, Björkman JA, van Giezen JJ.: Optimization of ketone-based P2Y(12) receptor antagonists as antithrombotic agents: pharmacodynamics and receptor kinetics considerations. Bioorg Med Chem Lett, Volume 24 (13), 2014 Bioorg Med Chem Lett 2014 24835983
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Giordanetto F, Barlaam B, Berglund S, Edman K, Karlsson O,...
Giordanetto F, Barlaam B, Berglund S, Edman K, Karlsson O, Lindberg J, Nylander S, Inghardt T.
Discovery of 9-(1-phenoxyethyl)-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxamides as oral PI3Kβ inhibitors,... Giordanetto F, Barlaam B, Berglund S, Edman K, Karlsson O, Lindberg J, Nylander S, Inghardt T.: Discovery of 9-(1-phenoxyethyl)-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxamides as oral PI3Kβ inhibitors, useful as antiplatelet agents. Bioorg Med Chem Lett, Volume 24 (16), 2014 Bioorg Med Chem Lett 2014 25042253
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Giordanetto F, Kihlberg J.
Giordanetto F, Kihlberg J.
Macrocyclic drugs and clinical candidates: what can medicinal chemists learn from their properties? Giordanetto F, Kihlberg J.: Macrocyclic drugs and clinical candidates: what can medicinal chemists learn from their properties? J Med Chem, Volume 57 (2), 2014 J Med Chem 2014 24044773
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Giordanetto F, Knerr L, Nordberg P, Pettersen D, Selmi N,...
Giordanetto F, Knerr L, Nordberg P, Pettersen D, Selmi N, Beisel HG, de la Motte H, Månsson Å, Dahlström M, Broddefalk J, Saarinen G, Klingegård F, Hurt-Camejo E, Rosengren B, Wikström J, Wågberg M, Brengdahl J, Rohman M, Sandmark J, Åkerud T, Roth RG, Jansen F, Ahlqvist M.
Design of Selective sPLA2-X Inhibitor... Giordanetto F, Knerr L, Nordberg P, Pettersen D, Selmi N, Beisel HG, de la Motte H, Månsson Å, Dahlström M, Broddefalk J, Saarinen G, Klingegård F, Hurt-Camejo E, Rosengren B, Wikström J, Wågberg M, Brengdahl J, Rohman M, Sandmark J, Åkerud T, Roth RG, Jansen F, Ahlqvist M.: Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid. ACS Med Chem Lett, Volume 9 (7), 2018 ACS Med Chem Lett 2018 30034586
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Giordanetto F, Pettersen D, Starke I, Nordberg P,...
Giordanetto F, Pettersen D, Starke I, Nordberg P, Dahlström M, Knerr L, Selmi N, Rosengren B, Larsson LO, Sandmark J, Castaldo M, Dekker N, Karlsson U, Hurt-Camejo E.
Discovery of AZD2716: A Novel Secreted Phospholipase A2 (sPLA2) Inhibitor for the Treatment of... Giordanetto F, Pettersen D, Starke I, Nordberg P, Dahlström M, Knerr L, Selmi N, Rosengren B, Larsson LO, Sandmark J, Castaldo M, Dekker N, Karlsson U, Hurt-Camejo E.: Discovery of AZD2716: A Novel Secreted Phospholipase A2 (sPLA2) Inhibitor for the Treatment of Coronary Artery Disease. ACS Med Chem Lett, Volume 7 (10), 2016 ACS Med Chem Lett 2016 27774123
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Giroud M, Dietzel U, Anselm L, Banner D, Kuglstatter A,...
Giroud M, Dietzel U, Anselm L, Banner D, Kuglstatter A, Benz J, Blanc JB, Gaufreteau D, Liu H, Lin X, Stich A, Kuhn B, Schuler F, Kaiser M, Brun R, Schirmeister T, Kisker C, Diederich F, Haap W.
Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and... Giroud M, Dietzel U, Anselm L, Banner D, Kuglstatter A, Benz J, Blanc JB, Gaufreteau D, Liu H, Lin X, Stich A, Kuhn B, Schuler F, Kaiser M, Brun R, Schirmeister T, Kisker C, Diederich F, Haap W.: Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J Med Chem, Volume 61 (8), 2018 J Med Chem 2018 29590750
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Giroud M, Kuhn B, Saint-Auret S, Kuratli C, Martin RE,...
Giroud M, Kuhn B, Saint-Auret S, Kuratli C, Martin RE, Schuler F, Diederich F, Kaiser M, Brun R, Schirmeister T, Haap W.
2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by... Giroud M, Kuhn B, Saint-Auret S, Kuratli C, Martin RE, Schuler F, Diederich F, Kaiser M, Brun R, Schirmeister T, Haap W.: 2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design. J Med Chem, Volume 61 (8), 2018 J Med Chem 2018 29590751
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Gising J, Belfrage AK, Alogheli H, Ehrenberg A, Åkerblom...
Gising J, Belfrage AK, Alogheli H, Ehrenberg A, Åkerblom E, Svensson R, Artursson P, Karlén A, Danielson UH, Larhed M, Sandström A.
Achiral pyrazinone-based inhibitors of the hepatitis C virus NS3 protease and drug-resistant variants with elongated... Gising J, Belfrage AK, Alogheli H, Ehrenberg A, Åkerblom E, Svensson R, Artursson P, Karlén A, Danielson UH, Larhed M, Sandström A.: Achiral pyrazinone-based inhibitors of the hepatitis C virus NS3 protease and drug-resistant variants with elongated substituents directed toward the S2 pocket. J Med Chem, Volume 57 (5), 2014 J Med Chem 2014 23517538
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Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K,...
Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.
Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria... Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.: Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. J Med Chem, Volume 49 (19), 2006 J Med Chem 2006 16970397
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Glennon RA, Lee M, Rangisetty JB, Dukat M, Roth BL, Savage...
Glennon RA, Lee M, Rangisetty JB, Dukat M, Roth BL, Savage JE, McBride A, Rauser L, Hufeisen S, Lee DK.
2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. Glennon RA, Lee M, Rangisetty JB, Dukat M, Roth BL, Savage JE, McBride A, Rauser L, Hufeisen S, Lee DK.: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors. J Med Chem, Volume 43 (5), 2000 J Med Chem 2000 10715164
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Glennon RA.
Glennon RA.
The 2014 Philip S. Portoghese Medicinal Chemistry Lectureship: The "Phenylalkylaminome" with a Focus on Selected Drugs... Glennon RA.: The 2014 Philip S. Portoghese Medicinal Chemistry Lectureship: The "Phenylalkylaminome" with a Focus on Selected Drugs of Abuse. J Med Chem, Volume 60 (7), 2017 J Med Chem 2017 28244748
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Total passive interactions: 0
Total active interactions: 2
Glossop PA, Lane CA, Price DA, Bunnage ME, Lewthwaite RA,...
Glossop PA, Lane CA, Price DA, Bunnage ME, Lewthwaite RA, James K, Brown AD, Yeadon M, Perros-Huguet C, Trevethick MA, Clarke NP, Webster R, Jones RM, Burrows JL, Feeder N, Taylor SC, Spence FJ.
Inhalation by design: novel ultra-long-acting β(2)-adrenoreceptor agonists for inhaled once-daily treatment of asthma... Glossop PA, Lane CA, Price DA, Bunnage ME, Lewthwaite RA, James K, Brown AD, Yeadon M, Perros-Huguet C, Trevethick MA, Clarke NP, Webster R, Jones RM, Burrows JL, Feeder N, Taylor SC, Spence FJ.: Inhalation by design: novel ultra-long-acting β(2)-adrenoreceptor agonists for inhaled once-daily treatment of asthma and chronic obstructive pulmonary disease that utilize a sulfonamide agonist headgroup. J Med Chem, Volume 53 (18), 2010 J Med Chem 2010 20804199
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Glossop PA, Watson CA, Price DA, Bunnage ME, Middleton DS,...
Glossop PA, Watson CA, Price DA, Bunnage ME, Middleton DS, Wood A, James K, Roberts D, Strang RS, Yeadon M, Perros-Huguet C, Clarke NP, Trevethick MA, Machin I, Stuart EF, Evans SM, Harrison AC, Fairman DA, Agoram B, Burrows JL, Feeder N, Fulton CK, Dillon BR, Entwistle DA, Spence FJ.
Inhalation by design: novel tertiary amine muscarinic M₃ receptor antagonists with slow off-rate binding kinetics for... Glossop PA, Watson CA, Price DA, Bunnage ME, Middleton DS, Wood A, James K, Roberts D, Strang RS, Yeadon M, Perros-Huguet C, Clarke NP, Trevethick MA, Machin I, Stuart EF, Evans SM, Harrison AC, Fairman DA, Agoram B, Burrows JL, Feeder N, Fulton CK, Dillon BR, Entwistle DA, Spence FJ.: Inhalation by design: novel tertiary amine muscarinic M₃ receptor antagonists with slow off-rate binding kinetics for inhaled once-daily treatment of chronic obstructive pulmonary disease. J Med Chem, Volume 54 (19), 2011 J Med Chem 2011 21870878
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Gold B, Smith R, Nguyen Q, Roberts J, Ling Y, Lopez Quezada...
Gold B, Smith R, Nguyen Q, Roberts J, Ling Y, Lopez Quezada L, Somersan S, Warrier T, Little D, Pingle M, Zhang D, Ballinger E, Zimmerman M, Dartois V, Hanson P, Mitscher LA, Porubsky P, Rogers S, Schoenen FJ, Nathan C, Aubé J.
Novel Cephalosporins Selectively Active on Nonreplicating Mycobacterium tuberculosis. Gold B, Smith R, Nguyen Q, Roberts J, Ling Y, Lopez Quezada L, Somersan S, Warrier T, Little D, Pingle M, Zhang D, Ballinger E, Zimmerman M, Dartois V, Hanson P, Mitscher LA, Porubsky P, Rogers S, Schoenen FJ, Nathan C, Aubé J.: Novel Cephalosporins Selectively Active on Nonreplicating Mycobacterium tuberculosis. J Med Chem, Volume 59 (13), 2016 J Med Chem 2016 27144688
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Goldberg FW, Dossetter AG, Scott JS, Robb GR, Boyd S,...
Goldberg FW, Dossetter AG, Scott JS, Robb GR, Boyd S, Groombridge SD, Kemmitt PD, Sjögren T, Gutierrez PM, deSchoolmeester J, Swales JG, Turnbull AV, Wild MJ.
Optimization of brain penetrant 11β-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced... Goldberg FW, Dossetter AG, Scott JS, Robb GR, Boyd S, Groombridge SD, Kemmitt PD, Sjögren T, Gutierrez PM, deSchoolmeester J, Swales JG, Turnbull AV, Wild MJ.: Optimization of brain penetrant 11β-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice. J Med Chem, Volume 57 (3), 2014 J Med Chem 2014 24422550
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Goldberg FW, Finlay MRV, Ting AKT, Beattie D, Lamont GM,...
Goldberg FW, Finlay MRV, Ting AKT, Beattie D, Lamont GM, Fallan C, Wrigley GL, Schimpl M, Howard MR, Williamson B, Vazquez-Chantada M, Barratt DG, Davies BR, Cadogan EB, Ramos-Montoya A, Dean E.
The Discovery of... Goldberg FW, Finlay MRV, Ting AKT, Beattie D, Lamont GM, Fallan C, Wrigley GL, Schimpl M, Howard MR, Williamson B, Vazquez-Chantada M, Barratt DG, Davies BR, Cadogan EB, Ramos-Montoya A, Dean E.: The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J Med Chem, Volume 63 (7), 2020 J Med Chem 2020 31851518
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Kristin Goldberg, Sam Groombridge, Julian Hudson, Andrew G....
Kristin Goldberg, Sam Groombridge, Julian Hudson, Andrew G. Leach, Philip A. MacFaul, Adrian Pickup, Ruth Poultney, James S. Scott, Per H. Svensson, Joseph Sweeney
Oxadiazole isomers: all bioisosteres are not created equal Goldberg K et al.: Med. Chem. Commun., 2012,3, 600-604, 10.1039/C2MD20054F MedChemComm 2012 10.1039/C2MD200...
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Frederick W. Goldberg, Alan M. Birch, Andrew G. Leach, Sam...
Frederick W. Goldberg, Alan M. Birch, Andrew G. Leach, Sam D. Groombridge, Wendy L. Snelson, Pablo Morentin Gutierrez, Clare D. Hammond, Susan Birtles, Linda K. Buckett
Discovery and optimization of efficacious neutral 4-amino-6-biphenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one... Goldberg, Frederick W.; Alan M. Birch, Andrew G. Leach, Sam D. Groombridge, Wendy L. Snelson, Pablo Morentin Gutierrez, Clare D. Hammond, Susan Birtles, Linda K. Buckett. Discovery and optimization of efficacious neutral 4-amino-6-biphenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one diacylglycerol acyl transferase-1 (DGAT1) inhibitors Med. Chem. Commun., 2013,4, 165-174,10.1039/C2MD20231J MedChemComm 2013 10.1039/C2MD202...
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Goldstein DM, Soth M, Gabriel T, Dewdney N, Kuglstatter A,...
Goldstein DM, Soth M, Gabriel T, Dewdney N, Kuglstatter A, Arzeno H, Chen J, Bingenheimer W, Dalrymple SA, Dunn J, Farrell R, Frauchiger S, La Fargue J, Ghate M, Graves B, Hill RJ, Li F, Litman R, Loe B, McIntosh J, McWeeney D, Papp E, Park J, Reese HF, Roberts RT, Rotstein D, San Pablo B, Sarma K, Stahl M, Sung ML, Suttman RT, Sjogren EB, Tan Y, Trejo A, Welch M, Weller P, Wong BR, Zecic H.
Discovery of... Goldstein DM, Soth M, Gabriel T, Dewdney N, Kuglstatter A, Arzeno H, Chen J, Bingenheimer W, Dalrymple SA, Dunn J, Farrell R, Frauchiger S, La Fargue J, Ghate M, Graves B, Hill RJ, Li F, Litman R, Loe B, McIntosh J, McWeeney D, Papp E, Park J, Reese HF, Roberts RT, Rotstein D, San Pablo B, Sarma K, Stahl M, Sung ML, Suttman RT, Sjogren EB, Tan Y, Trejo A, Welch M, Weller P, Wong BR, Zecic H.: Discovery of 6-(2,4-difluorophenoxy)-2-[3-hydroxy-1-(2-hydroxyethyl)propylamino]-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (pamapimod) and 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (R1487) as orally bioavailable and highly selective inhibitors of p38α mitogen-activated protein kinase. J Med Chem, Volume 54 (7), 2011 J Med Chem 2011 21375264
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Golosov AA, Flyer AN, Amin J, Babu C, Gampe C, Li J, Liu E,...
Golosov AA, Flyer AN, Amin J, Babu C, Gampe C, Li J, Liu E, Nakajima K, Nettleton D, Patel TJ, Reid PC, Yang L, Monovich LG.
Design of Thioether Cyclic Peptide Scaffolds with Passive Permeability and Oral Exposure. Golosov AA, Flyer AN, Amin J, Babu C, Gampe C, Li J, Liu E, Nakajima K, Nettleton D, Patel TJ, Reid PC, Yang L, Monovich LG.: Design of Thioether Cyclic Peptide Scaffolds with Passive Permeability and Oral Exposure. J Med Chem, Volume 64 (5), 2021 J Med Chem 2021 33629858
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Gong L, Han X, Silva T, Tan YC, Goyal B, Tivitmahaisoon P,...
Gong L, Han X, Silva T, Tan YC, Goyal B, Tivitmahaisoon P, Trejo A, Palmer W, Hogg H, Jahagir A, Alam M, Wagner P, Stein K, Filonova L, Loe B, Makra F, Rotstein D, Rapatova L, Dunn J, Zuo F, Dal Porto J, Wong B, Jin S, Chang A, Tran P, Hsieh G, Niu L, Shao A, Reuter D, Hermann J, Kuglstatter A, Goldstein D.
Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK... Gong L, Han X, Silva T, Tan YC, Goyal B, Tivitmahaisoon P, Trejo A, Palmer W, Hogg H, Jahagir A, Alam M, Wagner P, Stein K, Filonova L, Loe B, Makra F, Rotstein D, Rapatova L, Dunn J, Zuo F, Dal Porto J, Wong B, Jin S, Chang A, Tran P, Hsieh G, Niu L, Shao A, Reuter D, Hermann J, Kuglstatter A, Goldstein D.: Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties. Bioorg Med Chem Lett, Volume 23 (12), 2013 Bioorg Med Chem Lett 2013 23664880
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Gong L, Tan YC, Boice G, Abbot S, McCaleb K, Iyer P, Zuo F,...
Gong L, Tan YC, Boice G, Abbot S, McCaleb K, Iyer P, Zuo F, Dal Porto J, Wong B, Jin S, Chang A, Tran P, Hsieh G, Niu L, Shao A, Reuter D, Lukacs CM, Ursula Kammlott R, Kuglstatter A, Goldstein D.
Discovery of a novel series of 4-quinolone JNK inhibitors. Gong L, Tan YC, Boice G, Abbot S, McCaleb K, Iyer P, Zuo F, Dal Porto J, Wong B, Jin S, Chang A, Tran P, Hsieh G, Niu L, Shao A, Reuter D, Lukacs CM, Ursula Kammlott R, Kuglstatter A, Goldstein D.: Discovery of a novel series of 4-quinolone JNK inhibitors. Bioorg Med Chem Lett, Volume 22 (24), 2012 Bioorg Med Chem Lett 2012 23142618
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Gong Y, Kent Barbay J, Kimball ES, Santulli RJ, Carolyn...
Gong Y, Kent Barbay J, Kimball ES, Santulli RJ, Carolyn Fisher M, Dyatkin AB, Miskowski TA, Hornby PJ, He W.
Synthesis and SAR of pyridazinone-substituted phenylalanine amide alpha4 integrin antagonists. Gong Y, Kent Barbay J, Kimball ES, Santulli RJ, Carolyn Fisher M, Dyatkin AB, Miskowski TA, Hornby PJ, He W.: Synthesis and SAR of pyridazinone-substituted phenylalanine amide alpha4 integrin antagonists. Bioorg Med Chem Lett, Volume 18 (4), 2008 Bioorg Med Chem Lett 2008 18226905
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González-Muñoz GC, Arce MP, López B, Pérez C, Romero A,...
González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.
N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of... González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011 Eur J Med Chem 2011 21420206
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González-Muñoz GC, Arce MP, López B, Pérez C,...
González-Muñoz GC, Arce MP, López B, Pérez C, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.
Old phenothiazine and dibenzothiadiazepine derivatives for tomorrow's neuroprotective therapies against... González-Muñoz GC, Arce MP, López B, Pérez C, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: Old phenothiazine and dibenzothiadiazepine derivatives for tomorrow's neuroprotective therapies against neurodegenerative diseases. Eur J Med Chem, Volume 45 (12), 2010 Eur J Med Chem 2010 20926162
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González-Muñoz GC, Arce MP, Pérez C, Romero A,...
González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.
Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness... González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014 Eur J Med Chem 2014 24858540
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Goodwin JT, Conradi RA, Ho NF, Burton PS.
Goodwin JT, Conradi RA, Ho NF, Burton PS.
Physicochemical determinants of passive membrane permeability: role of solute hydrogen-bonding potential and volume. Goodwin JT, Conradi RA, Ho NF, Burton PS.: Physicochemical determinants of passive membrane permeability: role of solute hydrogen-bonding potential and volume. J Med Chem, Volume 44 (22), 2001 J Med Chem 2001 11606137
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Gopalsamy A, Aulabaugh AE, Barakat A, Beaumont KC, Cabral...
Gopalsamy A, Aulabaugh AE, Barakat A, Beaumont KC, Cabral S, Canterbury DP, Casimiro-Garcia A, Chang JS, Chen MZ, Choi C, Dow RL, Fadeyi OO, Feng X, France SP, Howard RM, Janz JM, Jasti J, Jasuja R, Jones LH, King-Ahmad A, Knee KM, Kohrt JT, Limberakis C, Liras S, Martinez CA, McClure KF, Narayanan A, Narula J, Novak JJ, O'Connell TN, Parikh MD, Piotrowski DW, Plotnikova O, Robinson RP, Sahasrabudhe PV, Sharma R, Thuma BA, Vasa D, Wei L, Wenzel AZ, Withka JM, Xiao J, Yayla HG.
PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. Gopalsamy A, Aulabaugh AE, Barakat A, Beaumont KC, Cabral S, Canterbury DP, Casimiro-Garcia A, Chang JS, Chen MZ, Choi C, Dow RL, Fadeyi OO, Feng X, France SP, Howard RM, Janz JM, Jasti J, Jasuja R, Jones LH, King-Ahmad A, Knee KM, Kohrt JT, Limberakis C, Liras S, Martinez CA, McClure KF, Narayanan A, Narula J, Novak JJ, O'Connell TN, Parikh MD, Piotrowski DW, Plotnikova O, Robinson RP, Sahasrabudhe PV, Sharma R, Thuma BA, Vasa D, Wei L, Wenzel AZ, Withka JM, Xiao J, Yayla HG.: PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J Med Chem, Volume 64 (1), 2021 J Med Chem 2021 33356244
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Gopalsamy A, Chopra R, Lim K, Ciszewski G, Shi M, Curran...
Gopalsamy A, Chopra R, Lim K, Ciszewski G, Shi M, Curran KJ, Sukits SF, Svenson K, Bard J, Ellingboe JW, Agarwal A, Krishnamurthy G, Howe AY, Orlowski M, Feld B, O'Connell J, Mansour TS.
Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a... Gopalsamy A, Chopra R, Lim K, Ciszewski G, Shi M, Curran KJ, Sukits SF, Svenson K, Bard J, Ellingboe JW, Agarwal A, Krishnamurthy G, Howe AY, Orlowski M, Feld B, O'Connell J, Mansour TS.: Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a new NS5b polymerase binding site. J Med Chem, Volume 49 (11), 2006 J Med Chem 2006 16722622
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Gopalsamy A, Shi M, Ciszewski G, Park K, Ellingboe JW,...
Gopalsamy A, Shi M, Ciszewski G, Park K, Ellingboe JW, Orlowski M, Feld B, Howe AY.
Design and synthesis of 2,3,4,9-tetrahydro-1H-carbazole and 1,2,3,4-tetrahydro-cyclopenta[b]indole derivatives as... Gopalsamy A, Shi M, Ciszewski G, Park K, Ellingboe JW, Orlowski M, Feld B, Howe AY.: Design and synthesis of 2,3,4,9-tetrahydro-1H-carbazole and 1,2,3,4-tetrahydro-cyclopenta[b]indole derivatives as non-nucleoside inhibitors of hepatitis C virus NS5B RNA-dependent RNA polymerase. Bioorg Med Chem Lett, Volume 16 (9), 2006 Bioorg Med Chem Lett 2006 16480869
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Gorboulev V, Ulzheimer JC, Akhoundova A, Ulzheimer-Teuber...
Gorboulev V, Ulzheimer JC, Akhoundova A, Ulzheimer-Teuber I, Karbach U, Quester S, Baumann C, Lang F, Busch AE, Koepsell H.
Cloning and characterization of two human polyspecific organic cation transporters. Gorboulev V, Ulzheimer JC, Akhoundova A, Ulzheimer-Teuber I, Karbach U, Quester S, Baumann C, Lang F, Busch AE, Koepsell H.: Cloning and characterization of two human polyspecific organic cation transporters. DNA Cell Biol, Volume 16 (7), 1997 DNA Cell Biol 1997 9260930
Total substances: 11
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Total active interactions: 11
Gosmini R, Nguyen VL, Toum J, Simon C, Brusq JM, Krysa G,...
Gosmini R, Nguyen VL, Toum J, Simon C, Brusq JM, Krysa G, Mirguet O, Riou-Eymard AM, Boursier EV, Trottet L, Bamborough P, Clark H, Chung CW, Cutler L, Demont EH, Kaur R, Lewis AJ, Schilling MB, Soden PE, Taylor S, Walker AL, Walker MD, Prinjha RK, Nicodème E.
The discovery of I-BET726 (GSK1324726A), a potent tetrahydroquinoline ApoA1 up-regulator and selective BET bromodomain... Gosmini R, Nguyen VL, Toum J, Simon C, Brusq JM, Krysa G, Mirguet O, Riou-Eymard AM, Boursier EV, Trottet L, Bamborough P, Clark H, Chung CW, Cutler L, Demont EH, Kaur R, Lewis AJ, Schilling MB, Soden PE, Taylor S, Walker AL, Walker MD, Prinjha RK, Nicodème E.: The discovery of I-BET726 (GSK1324726A), a potent tetrahydroquinoline ApoA1 up-regulator and selective BET bromodomain inhibitor. J Med Chem, Volume 57 (19), 2014 J Med Chem 2014 25249180
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Goto T, Shiina A, Murata T, Tomii M, Yamazaki T, Yoshida K,...
Goto T, Shiina A, Murata T, Tomii M, Yamazaki T, Yoshida K, Yoshino T, Suzuki O, Sogawa Y, Mizukami K, Takagi N, Yoshitomi T, Etori M, Tsuchida H, Mikkaichi T, Nakao N, Takahashi M, Takahashi H, Sasaki S.
Identification of the 5,5-dioxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine derivatives as highly selective PDE4B... Goto T, Shiina A, Murata T, Tomii M, Yamazaki T, Yoshida K, Yoshino T, Suzuki O, Sogawa Y, Mizukami K, Takagi N, Yoshitomi T, Etori M, Tsuchida H, Mikkaichi T, Nakao N, Takahashi M, Takahashi H, Sasaki S.: Identification of the 5,5-dioxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine derivatives as highly selective PDE4B inhibitors. Bioorg Med Chem Lett, Volume 24 (3), 2014 Bioorg Med Chem Lett 2014 24412069
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Goto T, Shiina A, Yoshino T, Mizukami K, Hirahara K, Suzuki...
Goto T, Shiina A, Yoshino T, Mizukami K, Hirahara K, Suzuki O, Sogawa Y, Takahashi T, Mikkaichi T, Nakao N, Takahashi M, Hasegawa M, Sasaki S.
Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors. Goto T, Shiina A, Yoshino T, Mizukami K, Hirahara K, Suzuki O, Sogawa Y, Takahashi T, Mikkaichi T, Nakao N, Takahashi M, Hasegawa M, Sasaki S.: Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors. Bioorg Med Chem Lett, Volume 23 (11), 2013 Bioorg Med Chem Lett 2013 23602400
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Gouvea DR, de Barros Bello Ribeiro A, Thormann U, Lopes NP,...
Gouvea DR, de Barros Bello Ribeiro A, Thormann U, Lopes NP, Butterweck V.
Evaluation of intestinal permeability of vicenin-2 and lychnopholic acid from Lychnophora salicifolia (Brazilian... Gouvea DR, de Barros Bello Ribeiro A, Thormann U, Lopes NP, Butterweck V.: Evaluation of intestinal permeability of vicenin-2 and lychnopholic acid from Lychnophora salicifolia (Brazilian arnicão) using Caco-2 cells. J Nat Prod, Volume 77 (3), 2014 J Nat Prod 2014 24279746
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Gozalbes R, Jacewicz M, Annand R, Tsaioun K, Pineda-Lucena...
Gozalbes R, Jacewicz M, Annand R, Tsaioun K, Pineda-Lucena A.
QSAR-based permeability model for drug-like compounds. Gozalbes R, Jacewicz M, Annand R, Tsaioun K, Pineda-Lucena A.: QSAR-based permeability model for drug-like compounds. Bioorg Med Chem, Volume 19 (8), 2011 Bioorg Med Chem 2011 21458999
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Grädler U, Czodrowski P, Tsaklakidis C, Klein M, Werkmann...
Grädler U, Czodrowski P, Tsaklakidis C, Klein M, Werkmann D, Lindemann S, Maskos K, Leuthner B.
Structure-based optimization of non-peptidic Cathepsin D inhibitors. Grädler U, Czodrowski P, Tsaklakidis C, Klein M, Werkmann D, Lindemann S, Maskos K, Leuthner B.: Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg Med Chem Lett, Volume 24 (17), 2014 Bioorg Med Chem Lett 2014 25086681
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Graham TH, Liu W, Verras A, Reibarkh M, Bleasby K, Bhatt...
Graham TH, Liu W, Verras A, Reibarkh M, Bleasby K, Bhatt UR, Chen Q, Garcia-Calvo M, Geissler WM, Gorski JN, He H, Lassman ME, Lisnock J, Li X, Shen Z, Tong X, Tung EC, Wiltsie J, Xie D, Xu S, Xiao J, Hale JJ, Pinto S, Shen DM.
A new class of prolylcarboxypeptidase inhibitors, part 2: the aminocyclopentanes. Graham TH, Liu W, Verras A, Reibarkh M, Bleasby K, Bhatt UR, Chen Q, Garcia-Calvo M, Geissler WM, Gorski JN, He H, Lassman ME, Lisnock J, Li X, Shen Z, Tong X, Tung EC, Wiltsie J, Xie D, Xu S, Xiao J, Hale JJ, Pinto S, Shen DM.: A new class of prolylcarboxypeptidase inhibitors, part 2: the aminocyclopentanes. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22444685
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Graham TH, Liu W, Verras A, Sebhat IK, Xiong Y, Bleasby K,...
Graham TH, Liu W, Verras A, Sebhat IK, Xiong Y, Bleasby K, Bhatt UR, Chen Q, Garcia-Calvo M, Geissler WM, Gorski JN, He H, Lassman ME, Lisnock J, Li X, Shen Z, Tong X, Tung EC, Wiltsie J, Xiao J, Xie D, Xu S, Hale JJ, Pinto S, Shen DM.
A new class of prolylcarboxypeptidase inhibitors, part 1: discovery and evaluation. Graham TH, Liu W, Verras A, Sebhat IK, Xiong Y, Bleasby K, Bhatt UR, Chen Q, Garcia-Calvo M, Geissler WM, Gorski JN, He H, Lassman ME, Lisnock J, Li X, Shen Z, Tong X, Tung EC, Wiltsie J, Xiao J, Xie D, Xu S, Hale JJ, Pinto S, Shen DM.: A new class of prolylcarboxypeptidase inhibitors, part 1: discovery and evaluation. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22444683
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Graham TH, Shen HC, Liu W, Xiong Y, Verras A, Bleasby K,...
Graham TH, Shen HC, Liu W, Xiong Y, Verras A, Bleasby K, Bhatt UR, Chabin RM, Chen D, Chen Q, Garcia-Calvo M, Geissler WM, He H, Lassman ME, Shen Z, Tong X, Tung EC, Xie D, Xu S, Colletti SL, Tata JR, Hale JJ, Pinto S, Shen DM.
The discovery of non-benzimidazole and brain-penetrant prolylcarboxypeptidase inhibitors. Graham TH, Shen HC, Liu W, Xiong Y, Verras A, Bleasby K, Bhatt UR, Chabin RM, Chen D, Chen Q, Garcia-Calvo M, Geissler WM, He H, Lassman ME, Shen Z, Tong X, Tung EC, Xie D, Xu S, Colletti SL, Tata JR, Hale JJ, Pinto S, Shen DM.: The discovery of non-benzimidazole and brain-penetrant prolylcarboxypeptidase inhibitors. Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22079761
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Granberg KL, Yuan ZQ, Lindmark B, Edman K, Kajanus J,...
Granberg KL, Yuan ZQ, Lindmark B, Edman K, Kajanus J, Hogner A, Malmgren M, O'Mahony G, Nordqvist A, Lindberg J, Tångefjord S, Kossenjans M, Löfberg C, Brånalt J, Liu D, Selmi N, Nikitidis G, Nordberg P, Hayen A, Aagaard A, Hansson E, Hermansson M, Ivarsson I, Jansson-Löfmark R, Karlsson U, Johansson U, William-Olsson L, Hartleib-Geschwindner J, Bamberg K.
Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ... Granberg KL, Yuan ZQ, Lindmark B, Edman K, Kajanus J, Hogner A, Malmgren M, O'Mahony G, Nordqvist A, Lindberg J, Tångefjord S, Kossenjans M, Löfberg C, Brånalt J, Liu D, Selmi N, Nikitidis G, Nordberg P, Hayen A, Aagaard A, Hansson E, Hermansson M, Ivarsson I, Jansson-Löfmark R, Karlsson U, Johansson U, William-Olsson L, Hartleib-Geschwindner J, Bamberg K.: Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J Med Chem, Volume 62 (3), 2019 J Med Chem 2019 30596500
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Grand DL, Gosling M, Baettig U, Bahra P, Bala K,...
Grand DL, Gosling M, Baettig U, Bahra P, Bala K, Brocklehurst C, Budd E, Butler R, Cheung AK, Choudhury H, Collingwood SP, Cox B, Danahay H, Edwards L, Everatt B, Glaenzel U, Glotin AL, Groot-Kormelink P, Hall E, Hatto J, Howsham C, Hughes G, King A, Koehler J, Kulkarni S, Lightfoot M, Nicholls I, Page C, Pergl-Wilson G, Popa MO, Robinson R, Rowlands D, Sharp T, Spendiff M, Stanley E, Steward O, Taylor RJ, Tranter P, Wagner T, Watson H, Williams G, Wright P, Young A, Sandham DA.
Discovery of Icenticaftor (QBW251), a Cystic Fibrosis Transmembrane Conductance Regulator Potentiator with Clinical... Grand DL, Gosling M, Baettig U, Bahra P, Bala K, Brocklehurst C, Budd E, Butler R, Cheung AK, Choudhury H, Collingwood SP, Cox B, Danahay H, Edwards L, Everatt B, Glaenzel U, Glotin AL, Groot-Kormelink P, Hall E, Hatto J, Howsham C, Hughes G, King A, Koehler J, Kulkarni S, Lightfoot M, Nicholls I, Page C, Pergl-Wilson G, Popa MO, Robinson R, Rowlands D, Sharp T, Spendiff M, Stanley E, Steward O, Taylor RJ, Tranter P, Wagner T, Watson H, Williams G, Wright P, Young A, Sandham DA.: Discovery of Icenticaftor (QBW251), a Cystic Fibrosis Transmembrane Conductance Regulator Potentiator with Clinical Efficacy in Cystic Fibrosis and Chronic Obstructive Pulmonary Disease. J Med Chem, Volume 64 (11), 2021 J Med Chem 2021 34028270
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Grass GM, Robinson JR.
Grass GM, Robinson JR.
Mechanisms of corneal drug penetration. I: In vivo and in vitro kinetics. Grass GM, Robinson JR.: Mechanisms of corneal drug penetration. I: In vivo and in vitro kinetics. J Pharm Sci, Volume 77 (1), 3-14, 1988 J Pharm Sci 1988 3126290
Total substances: 10
Total passive interactions: 10
Total active interactions: 0
Grass GM, Sweetana SA.
Grass GM, Sweetana SA.
In vitro measurement of gastrointestinal tissue permeability using a new diffusion cell. Grass GM, Sweetana SA.: In vitro measurement of gastrointestinal tissue permeability using a new diffusion cell. Pharm Res, Volume 5 (6), 372-376, 1988 Pharm Res 1988 3244649
Total substances: 5
Total passive interactions: 5
Total active interactions: 0
Gravenfors Y, Viklund J, Blid J, Ginman T, Karlström S,...
Gravenfors Y, Viklund J, Blid J, Ginman T, Karlström S, Kihlström J, Kolmodin K, Lindström J, von Berg S, von Kieseritzky F, Bogar K, Slivo C, Swahn BM, Olsson LL, Johansson P, Eketjäll S, Fälting J, Jeppsson F, Strömberg K, Janson J, Rahm F.
New aminoimidazoles as β-secretase (BACE-1) inhibitors showing amyloid-β (Aβ) lowering in brain. Gravenfors Y, Viklund J, Blid J, Ginman T, Karlström S, Kihlström J, Kolmodin K, Lindström J, von Berg S, von Kieseritzky F, Bogar K, Slivo C, Swahn BM, Olsson LL, Johansson P, Eketjäll S, Fälting J, Jeppsson F, Strömberg K, Janson J, Rahm F.: New aminoimidazoles as β-secretase (BACE-1) inhibitors showing amyloid-β (Aβ) lowering in brain. J Med Chem, Volume 55 (21), 2012 J Med Chem 2012 23017051
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Gray AT, Zhao BB, Kindler CH, Winegar BD, Mazurek MJ, Xu J,...
Gray AT, Zhao BB, Kindler CH, Winegar BD, Mazurek MJ, Xu J, Chavez RA, Forsayeth JR, Yost CS.
Volatile anesthetics activate the human tandem pore domain baseline K+ channel KCNK5. Gray AT, Zhao BB, Kindler CH, Winegar BD, Mazurek MJ, Xu J, Chavez RA, Forsayeth JR, Yost CS.: Volatile anesthetics activate the human tandem pore domain baseline K+ channel KCNK5. Anesthesiology, Volume 92 (6), 2000 Anesthesiology 2000 10839924
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Greig IR, Baillie GL, Abdelrahman M, Trembleau L, Ross RA.
Greig IR, Baillie GL, Abdelrahman M, Trembleau L, Ross RA.
Development of indole sulfonamides as cannabinoid receptor negative allosteric modulators. Greig IR, Baillie GL, Abdelrahman M, Trembleau L, Ross RA.: Development of indole sulfonamides as cannabinoid receptor negative allosteric modulators. Bioorg Med Chem Lett, Volume 26 (18), 2016 Bioorg Med Chem Lett 2016 27542310
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Greig IR, Coste E, Ralston SH, van 't Hof RJ.
Greig IR, Coste E, Ralston SH, van 't Hof RJ.
Development of triarylsulfonamides as novel anti-inflammatory agents. Greig IR, Coste E, Ralston SH, van 't Hof RJ.: Development of triarylsulfonamides as novel anti-inflammatory agents. Bioorg Med Chem Lett, Volume 23 (3), 2013 Bioorg Med Chem Lett 2013 23265887
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Grella B, Teitler M, Smith C, Herrick-Davis K, Glennon RA.
Grella B, Teitler M, Smith C, Herrick-Davis K, Glennon RA.
Binding of beta-carbolines at 5-HT(2) serotonin receptors. Grella B, Teitler M, Smith C, Herrick-Davis K, Glennon RA.: Binding of beta-carbolines at 5-HT(2) serotonin receptors. Bioorg Med Chem Lett, Volume 13 (24), 2003 Bioorg Med Chem Lett 2003 14643338
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Grempler R, Thomas L, Eckhardt M, Himmelsbach F, Sauer A,...
Grempler R, Thomas L, Eckhardt M, Himmelsbach F, Sauer A, Sharp DE, Bakker RA, Mark M, Klein T, Eickelmann P.
Empagliflozin, a novel selective sodium glucose cotransporter-2 (SGLT-2) inhibitor: characterisation and comparison... Grempler R, Thomas L, Eckhardt M, Himmelsbach F, Sauer A, Sharp DE, Bakker RA, Mark M, Klein T, Eickelmann P.: Empagliflozin, a novel selective sodium glucose cotransporter-2 (SGLT-2) inhibitor: characterisation and comparison with other SGLT-2 inhibitors. Diabetes Obes Metab, Volume 14 (1), 2012 Diabetes Obes Metab 2012 21985634
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Grewer C, Grabsch E.
Grewer C, Grabsch E.
New inhibitors for the neutral amino acid transporter ASCT2 reveal its Na+-dependent anion leak. Grewer C, Grabsch E.: New inhibitors for the neutral amino acid transporter ASCT2 reveal its Na+-dependent anion leak. J Physiol, Volume 557 (pt 3), 2004 J Physiol 2004 15107471
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Grice CA, Tays KL, Savall BM, Wei J, Butler CR, Axe FU,...
Grice CA, Tays KL, Savall BM, Wei J, Butler CR, Axe FU, Bembenek SD, Fourie AM, Dunford PJ, Lundeen K, Coles F, Xue X, Riley JP, Williams KN, Karlsson L, Edwards JP.
Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory... Grice CA, Tays KL, Savall BM, Wei J, Butler CR, Axe FU, Bembenek SD, Fourie AM, Dunford PJ, Lundeen K, Coles F, Xue X, Riley JP, Williams KN, Karlsson L, Edwards JP.: Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. J Med Chem, Volume 51 (14), 2008 J Med Chem 2008 18588282
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Grimster NP, Gingipalli L, Barlaam B, Su Q, Zheng X, Watson...
Grimster NP, Gingipalli L, Barlaam B, Su Q, Zheng X, Watson D, Wang H, Simpson I, Pike A, Balazs A, Boiko S, Ikeda TP, Impastato AC, Jones NH, Kawatkar S, Kemmitt P, Lamont S, Patel J, Read J, Sarkar U, Sha L, Tomlinson RC, Wang H, Wilson DM, Zehnder TE, Wang L, Wang P, Goldberg FW, Shao W, Fawell S, Dry H, Dowling JE, Edmondson SD.
Optimization of a series of potent, selective and orally bioavailable SYK inhibitors. Grimster NP, Gingipalli L, Barlaam B, Su Q, Zheng X, Watson D, Wang H, Simpson I, Pike A, Balazs A, Boiko S, Ikeda TP, Impastato AC, Jones NH, Kawatkar S, Kemmitt P, Lamont S, Patel J, Read J, Sarkar U, Sha L, Tomlinson RC, Wang H, Wilson DM, Zehnder TE, Wang L, Wang P, Goldberg FW, Shao W, Fawell S, Dry H, Dowling JE, Edmondson SD.: Optimization of a series of potent, selective and orally bioavailable SYK inhibitors. Bioorg Med Chem Lett, Volume 30 (19), 2020 Bioorg Med Chem Lett 2020 32717371
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Grimstrup M, Rist Ø, Receveur JM, Frimurer TM, Ulven T,...
Grimstrup M, Rist Ø, Receveur JM, Frimurer TM, Ulven T, Mathiesen JM, Kostenis E, Högberg T.
Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 2. Grimstrup M, Rist Ø, Receveur JM, Frimurer TM, Ulven T, Mathiesen JM, Kostenis E, Högberg T.: Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 2. Bioorg Med Chem Lett, Volume 20 (3), 2010 Bioorg Med Chem Lett 2010 20022749
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Groendyke BJ, Nabet B, Mohardt ML, Zhang H, Peng K, Koide...
Groendyke BJ, Nabet B, Mohardt ML, Zhang H, Peng K, Koide E, Coffey CR, Che J, Scott DA, Bass AJ, Gray NS.
Discovery of a Pyrimidothiazolodiazepinone as a Potent and Selective Focal Adhesion Kinase (FAK) Inhibitor. Groendyke BJ, Nabet B, Mohardt ML, Zhang H, Peng K, Koide E, Coffey CR, Che J, Scott DA, Bass AJ, Gray NS.: Discovery of a Pyrimidothiazolodiazepinone as a Potent and Selective Focal Adhesion Kinase (FAK) Inhibitor. ACS Med Chem Lett, Volume 12 (1), 2021 ACS Med Chem Lett 2021 33488961
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Grosche P, Sirockin F, Mac Sweeney A, Ramage P, Erbel P,...
Grosche P, Sirockin F, Mac Sweeney A, Ramage P, Erbel P, Melkko S, Bernardi A, Hughes N, Ellis D, Combrink KD, Jarousse N, Altmann E.
Structure-based design and optimization of potent inhibitors of the adenoviral protease. Grosche P, Sirockin F, Mac Sweeney A, Ramage P, Erbel P, Melkko S, Bernardi A, Hughes N, Ellis D, Combrink KD, Jarousse N, Altmann E.: Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg Med Chem Lett, Volume 25 (3), 2015 Bioorg Med Chem Lett 2015 25571794
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Groves CE, Muñoz L, Bahn A, Burckhardt G, Wright SH.
Groves CE, Muñoz L, Bahn A, Burckhardt G, Wright SH.
Interaction of cysteine conjugates with human and rabbit organic anion transporter 1. Groves CE, Muñoz L, Bahn A, Burckhardt G, Wright SH.: Interaction of cysteine conjugates with human and rabbit organic anion transporter 1. J Pharmacol Exp Ther, Volume 304 (2), 2003 J Pharmacol Exp Ther 2003 12538807
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Grube M, Köck K, Oswald S, Draber K, Meissner K, Eckel L,...
Grube M, Köck K, Oswald S, Draber K, Meissner K, Eckel L, Böhm M, Felix SB, Vogelgesang S, Jedlitschky G, Siegmund W, Warzok R, Kroemer HK.
Organic anion transporting polypeptide 2B1 is a high-affinity transporter for atorvastatin and is expressed in the... Grube M, Köck K, Oswald S, Draber K, Meissner K, Eckel L, Böhm M, Felix SB, Vogelgesang S, Jedlitschky G, Siegmund W, Warzok R, Kroemer HK.: Organic anion transporting polypeptide 2B1 is a high-affinity transporter for atorvastatin and is expressed in the human heart. Clin Pharmacol Ther, Volume 80 (6), 2006 Clin Pharmacol Ther 2006 17178262
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Gründemann D, Hahne C, Berkels R, Schömig E.
Gründemann D, Hahne C, Berkels R, Schömig E.
Agmatine is efficiently transported by non-neuronal monoamine transporters extraneuronal monoamine transporter (EMT)... Gründemann D, Hahne C, Berkels R, Schömig E.: Agmatine is efficiently transported by non-neuronal monoamine transporters extraneuronal monoamine transporter (EMT) and organic cation transporter 2 (OCT2). J Pharmacol Exp Ther, Volume 304 (2), 2003 J Pharmacol Exp Ther 2003 12538837
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Gründemann D, Schechinger B, Rappold GA, Schömig E.
Gründemann D, Schechinger B, Rappold GA, Schömig E.
Molecular identification of the corticosterone-sensitive extraneuronal catecholamine transporter. Gründemann D, Schechinger B, Rappold GA, Schömig E.: Molecular identification of the corticosterone-sensitive extraneuronal catecholamine transporter. Nat Neurosci, Volume 1 (5), 1998 Nat Neurosci 1998 10196521
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Grundt P, Kopajtic TA, Katz JL, Newman AH.
Grundt P, Kopajtic TA, Katz JL, Newman AH.
N-8-Substituted benztropinamine analogs as selective dopamine transporter ligands. Grundt P, Kopajtic TA, Katz JL, Newman AH.: N-8-Substituted benztropinamine analogs as selective dopamine transporter ligands. Bioorg Med Chem Lett, Volume 15 (24), 2005 Bioorg Med Chem Lett 2005 16213721
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Grupe A, Schröter KH, Ruppersberg JP, Stocker M, Drewes T,...
Grupe A, Schröter KH, Ruppersberg JP, Stocker M, Drewes T, Beckh S, Pongs O.
Cloning and expression of a human voltage-gated potassium channel. A novel member of the RCK potassium channel family. Grupe A, Schröter KH, Ruppersberg JP, Stocker M, Drewes T, Beckh S, Pongs O.: Cloning and expression of a human voltage-gated potassium channel. A novel member of the RCK potassium channel family. EMBO J, Volume 9 (6), 1990 EMBO J 1990 2347305
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Gu C, Lamb ML, Johannes JW, Sylvester MA, Eisman MS,...
Gu C, Lamb ML, Johannes JW, Sylvester MA, Eisman MS, Harrison RA, Hu H, Kazmirski S, Mikule K, Peng B, Su N, Wang W, Ye Q, Zheng X, Lyne PD, Scott DA.
Modulating the strength of hydrogen bond acceptors to achieve low Caco2 efflux for oral bioavailability of PARP... Gu C, Lamb ML, Johannes JW, Sylvester MA, Eisman MS, Harrison RA, Hu H, Kazmirski S, Mikule K, Peng B, Su N, Wang W, Ye Q, Zheng X, Lyne PD, Scott DA.: Modulating the strength of hydrogen bond acceptors to achieve low Caco2 efflux for oral bioavailability of PARP inhibitors blocking centrosome clustering. Bioorg Med Chem Lett, Volume 26 (19), 2016 Bioorg Med Chem Lett 2016 27578247
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Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.
Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.
Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities... Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007 Bioorg Med Chem 2007 17609123
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Gu SJ, Lee JK, Pae AN, Chung HJ, Rhim H, Han SY, Min SJ,...
Gu SJ, Lee JK, Pae AN, Chung HJ, Rhim H, Han SY, Min SJ, Cho YS.
Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers. Gu SJ, Lee JK, Pae AN, Chung HJ, Rhim H, Han SY, Min SJ, Cho YS.: Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers. Bioorg Med Chem Lett, Volume 20 (9), 2010 Bioorg Med Chem Lett 2010 20382529
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Guan J, Spry C, Tjhin ET, Yang P, Kittikool T, Howieson VM,...
Guan J, Spry C, Tjhin ET, Yang P, Kittikool T, Howieson VM, Ling H, Starrs L, Duncan D, Burgio G, Saliba KJ, Auclair K.
Exploring Heteroaromatic Rings as a Replacement for the Labile Amide of Antiplasmodial Pantothenamides. Guan J, Spry C, Tjhin ET, Yang P, Kittikool T, Howieson VM, Ling H, Starrs L, Duncan D, Burgio G, Saliba KJ, Auclair K.: Exploring Heteroaromatic Rings as a Replacement for the Labile Amide of Antiplasmodial Pantothenamides. J Med Chem, Volume 64 (8), 2021 J Med Chem 2021 33792339
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Guarino VR, Nti-Addae K, Stella VJ.
Guarino VR, Nti-Addae K, Stella VJ.
MDCK cell permeability characteristics of a sulfenamide prodrug: strategic implications in considering sulfenamide... Guarino VR, Nti-Addae K, Stella VJ.: MDCK cell permeability characteristics of a sulfenamide prodrug: strategic implications in considering sulfenamide prodrugs for oral delivery of NH-acids. Bioorg Med Chem Lett, Volume 21 (1), 2011 Bioorg Med Chem Lett 2011 21126873
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Guerrero M, Urbano M, Kim EK, Gamo AM, Riley S, Abgaryan L,...
Guerrero M, Urbano M, Kim EK, Gamo AM, Riley S, Abgaryan L, Leaf N, Van Orden LJ, Brown SJ, Xie JY, Porreca F, Cameron MD, Rosen H, Roberts E.
Design and Synthesis of a Novel and Selective Kappa Opioid Receptor (KOR) Antagonist (BTRX-335140). Guerrero M, Urbano M, Kim EK, Gamo AM, Riley S, Abgaryan L, Leaf N, Van Orden LJ, Brown SJ, Xie JY, Porreca F, Cameron MD, Rosen H, Roberts E.: Design and Synthesis of a Novel and Selective Kappa Opioid Receptor (KOR) Antagonist (BTRX-335140). J Med Chem, Volume 62 (4), 2019 J Med Chem 2019 30707578
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Gui C, Miao Y, Thompson L, Wahlgren B, Mock M, Stieger B,...
Gui C, Miao Y, Thompson L, Wahlgren B, Mock M, Stieger B, Hagenbuch B.
Effect of pregnane X receptor ligands on transport mediated by human OATP1B1 and OATP1B3. Gui C, Miao Y, Thompson L, Wahlgren B, Mock M, Stieger B, Hagenbuch B.: Effect of pregnane X receptor ligands on transport mediated by human OATP1B1 and OATP1B3. Eur J Pharmacol, Volume 584 (1), 2008 Eur J Pharmacol 2008 18321482
Total substances: 11
Total passive interactions: 0
Total active interactions: 18
Gui C, Obaidat A, Chaguturu R, Hagenbuch B.
Gui C, Obaidat A, Chaguturu R, Hagenbuch B.
Development of a cell-based high-throughput assay to screen for inhibitors of organic anion transporting polypeptides... Gui C, Obaidat A, Chaguturu R, Hagenbuch B.: Development of a cell-based high-throughput assay to screen for inhibitors of organic anion transporting polypeptides 1B1 and 1B3. Curr Chem Genomics, Volume 4, 2010 Curr Chem Genomics 2010 20448812
Total substances: 18
Total passive interactions: 0
Total active interactions: 27
Gui C, Wahlgren B, Lushington GH, Hagenbuch B.
Gui C, Wahlgren B, Lushington GH, Hagenbuch B.
Identification, Ki determination and CoMFA analysis of nuclear receptor ligands as competitive inhibitors of... Gui C, Wahlgren B, Lushington GH, Hagenbuch B.: Identification, Ki determination and CoMFA analysis of nuclear receptor ligands as competitive inhibitors of OATP1B1-mediated estradiol-17beta-glucuronide transport. Pharmacol Res, Volume 60 (1), 2009 Pharmacol Res 2009 19427586
Total substances: 21
Total passive interactions: 0
Total active interactions: 21
Guillemyn K, Starnowska J, Lagard C, Dyniewicz J, Rojewska...
Guillemyn K, Starnowska J, Lagard C, Dyniewicz J, Rojewska E, Mika J, Chung NN, Utard V, Kosson P, Lipkowski AW, Chevillard L, Arranz-Gibert P, Teixidó M, Megarbane B, Tourwé D, Simonin F, Przewlocka B, Schiller PW, Ballet S.
Bifunctional Peptide-Based Opioid Agonist-Nociceptin Antagonist Ligands for Dual Treatment of Acute and Neuropathic... Guillemyn K, Starnowska J, Lagard C, Dyniewicz J, Rojewska E, Mika J, Chung NN, Utard V, Kosson P, Lipkowski AW, Chevillard L, Arranz-Gibert P, Teixidó M, Megarbane B, Tourwé D, Simonin F, Przewlocka B, Schiller PW, Ballet S.: Bifunctional Peptide-Based Opioid Agonist-Nociceptin Antagonist Ligands for Dual Treatment of Acute and Neuropathic Pain. J Med Chem, Volume 59 (8), 2016 J Med Chem 2016 27035422
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Gujarati NA, Zeng L, Gupta P, Chen ZS, Korlipara VL.
Gujarati NA, Zeng L, Gupta P, Chen ZS, Korlipara VL.
Design, synthesis and biological evaluation of benzamide and phenyltetrazole derivatives with amide and urea linkers as... Gujarati NA, Zeng L, Gupta P, Chen ZS, Korlipara VL.: Design, synthesis and biological evaluation of benzamide and phenyltetrazole derivatives with amide and urea linkers as BCRP inhibitors. Bioorg Med Chem Lett, Volume 27 (20), 2017 Bioorg Med Chem Lett 2017 28916341
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Gummadi VR, Boruah A, Ainan BR, Vare BR, Manda S, Gondle...
Gummadi VR, Boruah A, Ainan BR, Vare BR, Manda S, Gondle HP, Kumar SN, Mukherjee S, Gore ST, Krishnamurthy NR, Marappan S, Nayak SS, Nellore K, Balasubramanian WR, Bhumireddy A, Giri S, Gopinath S, Samiulla DS, Daginakatte G, Basavaraju A, Chelur S, Eswarappa R, Belliappa C, Subramanya HS, Booher RN, Ramachandra M, Samajdar S.
Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. Gummadi VR, Boruah A, Ainan BR, Vare BR, Manda S, Gondle HP, Kumar SN, Mukherjee S, Gore ST, Krishnamurthy NR, Marappan S, Nayak SS, Nellore K, Balasubramanian WR, Bhumireddy A, Giri S, Gopinath S, Samiulla DS, Daginakatte G, Basavaraju A, Chelur S, Eswarappa R, Belliappa C, Subramanya HS, Booher RN, Ramachandra M, Samajdar S.: Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. ACS Med Chem Lett, Volume 11 (12), 2020 ACS Med Chem Lett 2020 33335659
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Gunzner-Toste J, Zhao G, Bauer P, Baumeister T, Buckmelter...
Gunzner-Toste J, Zhao G, Bauer P, Baumeister T, Buckmelter AJ, Caligiuri M, Clodfelter KH, Fu B, Han B, Ho YC, Kley N, Liang X, Liederer BM, Lin J, Mukadam S, O'Brien T, Oh A, Reynolds DJ, Sharma G, Skelton N, Smith CC, Sodhi J, Wang W, Wang Z, Xiao Y, Yuen PW, Zak M, Zhang L, Zheng X, Bair KW, Dragovich PS.
Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with... Gunzner-Toste J, Zhao G, Bauer P, Baumeister T, Buckmelter AJ, Caligiuri M, Clodfelter KH, Fu B, Han B, Ho YC, Kley N, Liang X, Liederer BM, Lin J, Mukadam S, O'Brien T, Oh A, Reynolds DJ, Sharma G, Skelton N, Smith CC, Sodhi J, Wang W, Wang Z, Xiao Y, Yuen PW, Zak M, Zhang L, Zheng X, Bair KW, Dragovich PS.: Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties. Bioorg Med Chem Lett, Volume 23 (12), 2013 Bioorg Med Chem Lett 2013 23668988
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Guo A, Marinaro W, Hu P, Sinko PJ.
Guo A, Marinaro W, Hu P, Sinko PJ.
Delineating the contribution of secretory transporters in the efflux of etoposide using Madin-Darby canine kidney... Guo A, Marinaro W, Hu P, Sinko PJ.: Delineating the contribution of secretory transporters in the efflux of etoposide using Madin-Darby canine kidney (MDCK) cells overexpressing P-glycoprotein (Pgp), multidrug resistance-associated protein (MRP1), and canalicular multispecific organic anion transporter (cMOAT). Drug Metab Dispos, Volume 30 (4), 2002 Drug Metab Dispos 2002 11901101
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Guo B, Guo S, Huang J, Li J, Li J, Chen Q, Zhou X, Xie X,...
Guo B, Guo S, Huang J, Li J, Li J, Chen Q, Zhou X, Xie X, Yang Y.
Design and optimization of 2,3-dihydrobenzo[b][1,4]dioxine propanoic acids as novel GPR40 agonists with improved... Guo B, Guo S, Huang J, Li J, Li J, Chen Q, Zhou X, Xie X, Yang Y.: Design and optimization of 2,3-dihydrobenzo[b][1,4]dioxine propanoic acids as novel GPR40 agonists with improved pharmacokinetic and safety profiles. Bioorg Med Chem, Volume 26 (22), 2018 Bioorg Med Chem 2018 30392954
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Guo C, Hu M, DeOrazio RJ, Usyatinsky A, Fitzpatrick K,...
Guo C, Hu M, DeOrazio RJ, Usyatinsky A, Fitzpatrick K, Zhang Z, Maeng JH, Kitchen DB, Tom S, Luche M, Khmelnitsky Y, Mhyre AJ, Guzzo PR, Liu S.
The design and synthesis of novel SGLT2 inhibitors: C-glycosides with benzyltriazolopyridinone and phenylhydantoin as... Guo C, Hu M, DeOrazio RJ, Usyatinsky A, Fitzpatrick K, Zhang Z, Maeng JH, Kitchen DB, Tom S, Luche M, Khmelnitsky Y, Mhyre AJ, Guzzo PR, Liu S.: The design and synthesis of novel SGLT2 inhibitors: C-glycosides with benzyltriazolopyridinone and phenylhydantoin as the aglycone moieties. Bioorg Med Chem, Volume 22 (13), 2014 Bioorg Med Chem 2014 24842618
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Guo Q, Chandrasekhar J, Ihle D, Wustrow DJ, Chenard BL,...
Guo Q, Chandrasekhar J, Ihle D, Wustrow DJ, Chenard BL, Krause JE, Hutchison A, Alderman D, Cheng C, Cortright D, Broom D, Kershaw MT, Simmermacher-Mayer J, Peng Y, Hodgetts KJ.
1-Benzylbenzimidazoles: the discovery of a novel series of bradykinin B(1) receptor antagonists. Guo Q, Chandrasekhar J, Ihle D, Wustrow DJ, Chenard BL, Krause JE, Hutchison A, Alderman D, Cheng C, Cortright D, Broom D, Kershaw MT, Simmermacher-Mayer J, Peng Y, Hodgetts KJ.: 1-Benzylbenzimidazoles: the discovery of a novel series of bradykinin B(1) receptor antagonists. Bioorg Med Chem Lett, Volume 18 (18), 2008 Bioorg Med Chem Lett 2008 18752949
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Guo T, Dätwyler P, Demina E, Richards MR, Ge P, Zou C,...
Guo T, Dätwyler P, Demina E, Richards MR, Ge P, Zou C, Zheng R, Fougerat A, Pshezhetsky AV, Ernst B, Cairo CW.
Selective Inhibitors of Human Neuraminidase 3. Guo T, Dätwyler P, Demina E, Richards MR, Ge P, Zou C, Zheng R, Fougerat A, Pshezhetsky AV, Ernst B, Cairo CW.: Selective Inhibitors of Human Neuraminidase 3. J Med Chem, Volume 61 (5), 2018 J Med Chem 2018 29425031
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Guo Z, Wu D, Zhu YF, Tucci FC, Regan CF, Rowbottom MW,...
Guo Z, Wu D, Zhu YF, Tucci FC, Regan CF, Rowbottom MW, Struthers RS, Xie Q, Reijmers S, Sullivan SK, Sai Y, Chen C.
Structure-activity relationships of 1,3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor... Guo Z, Wu D, Zhu YF, Tucci FC, Regan CF, Rowbottom MW, Struthers RS, Xie Q, Reijmers S, Sullivan SK, Sai Y, Chen C.: Structure-activity relationships of 1,3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor antagonists. Bioorg Med Chem Lett, Volume 15 (16), 2005 Bioorg Med Chem Lett 2005 15951171
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Gupta A, Zhang Y, Unadkat JD, Mao Q.
Gupta A, Zhang Y, Unadkat JD, Mao Q.
HIV protease inhibitors are inhibitors but not substrates of the human breast cancer resistance protein (BCRP/ABCG2). Gupta A, Zhang Y, Unadkat JD, Mao Q.: HIV protease inhibitors are inhibitors but not substrates of the human breast cancer resistance protein (BCRP/ABCG2). J Pharmacol Exp Ther, Volume 310 (1), 2004 J Pharmacol Exp Ther 2004 15007102
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Gupta SV, Sass EJ, Davis ME, Edwards RB, Lozanski G,...
Gupta SV, Sass EJ, Davis ME, Edwards RB, Lozanski G, Heerema NA, Lehman A, Zhang X, Jarjoura D, Byrd JC, Pan L, Chan KK, Kinghorn AD, Phelps MA, Grever MR, Lucas DM.
Resistance to the translation initiation inhibitor silvestrol is mediated by ABCB1/P-glycoprotein overexpression in... Gupta SV, Sass EJ, Davis ME, Edwards RB, Lozanski G, Heerema NA, Lehman A, Zhang X, Jarjoura D, Byrd JC, Pan L, Chan KK, Kinghorn AD, Phelps MA, Grever MR, Lucas DM.: Resistance to the translation initiation inhibitor silvestrol is mediated by ABCB1/P-glycoprotein overexpression in acute lymphoblastic leukemia cells. AAPS J, Volume 13 (3), 2011 AAPS J 2011 21538216
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Gupte A, Buolamwini JK.
Gupte A, Buolamwini JK.
Synthesis and biological evaluation of phloridzin analogs as human concentrative nucleoside transporter 3 (hCNT3)... Gupte A, Buolamwini JK.: Synthesis and biological evaluation of phloridzin analogs as human concentrative nucleoside transporter 3 (hCNT3) inhibitors. Bioorg Med Chem Lett, Volume 19 (3), 2009 Bioorg Med Chem Lett 2009 19097778
Total substances: 5
Total passive interactions: 0
Total active interactions: 8
Gurrapu S, Jonnalagadda SK, Jonnalagadda SK, Alam MA,...
Gurrapu S, Jonnalagadda SK, Jonnalagadda SK, Alam MA, Ronayne CT, Nelson GL, Solano LN, Lueth EA, Drewes LR, Mereddy VR.
Coumarin carboxylic acids as monocarboxylate transporter 1 inhibitors: In vitro and in vivo studies as potential... Gurrapu S, Jonnalagadda SK, Jonnalagadda SK, Alam MA, Ronayne CT, Nelson GL, Solano LN, Lueth EA, Drewes LR, Mereddy VR.: Coumarin carboxylic acids as monocarboxylate transporter 1 inhibitors: In vitro and in vivo studies as potential anticancer agents. Bioorg Med Chem Lett, Volume 26 (14), 2016 Bioorg Med Chem Lett 2016 27241692
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Gustin DJ, Ma Z, Min X, Li Y, Hedberg C, Guimaraes C,...
Gustin DJ, Ma Z, Min X, Li Y, Hedberg C, Guimaraes C, Porter AC, Lindstrom M, Lester-Zeiner D, Xu G, Carlson TJ, Xiao S, Meleza C, Connors R, Wang Z, Kayser F.
Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors. Gustin DJ, Ma Z, Min X, Li Y, Hedberg C, Guimaraes C, Porter AC, Lindstrom M, Lester-Zeiner D, Xu G, Carlson TJ, Xiao S, Meleza C, Connors R, Wang Z, Kayser F.: Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors. Bioorg Med Chem Lett, Volume 21 (8), 2011 Bioorg Med Chem Lett 2011 21392988
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Gutknecht J, Walter A.
Gutknecht J, Walter A.
Histamine, theophylline and tryptamine transport through lipid bilayer membranes. Gutknecht J, Walter A.: Histamine, theophylline and tryptamine transport through lipid bilayer membranes. Biochim Biophys Acta, Volume 649 (2), 1981 Biochim Biophys Acta 1981 7317388
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Gutknecht J.
Gutknecht J.
Aspirin, acetaminophen and proton transport through phospholipid bilayers and mitochondrial membranes. Gutknecht J.: Aspirin, acetaminophen and proton transport through phospholipid bilayers and mitochondrial membranes. Mol Cell Biochem, Volume 114 (1-2), 1992 Mol Cell Biochem 1992 1334228
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Guzior N, Bajda M, Rakoczy J, Brus B, Gobec S, Malawska B.
Guzior N, Bajda M, Rakoczy J, Brus B, Gobec S, Malawska B.
Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential... Guzior N, Bajda M, Rakoczy J, Brus B, Gobec S, Malawska B.: Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential anti-Alzheimer's agents. Bioorg Med Chem, Volume 23 (7), 2015 Bioorg Med Chem 2015 25707322
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Guzman-Perez A, Pfefferkorn JA, Lee EC, Stevens BD, Aspnes...
Guzman-Perez A, Pfefferkorn JA, Lee EC, Stevens BD, Aspnes GE, Bian J, Didiuk MT, Filipski KJ, Moore D, Perreault C, Sammons MF, Tu M, Brown J, Atkinson K, Litchfield J, Tan B, Samas B, Zavadoski WJ, Salatto CT, Treadway J.
The design and synthesis of a potent glucagon receptor antagonist with favorable physicochemical and pharmacokinetic... Guzman-Perez A, Pfefferkorn JA, Lee EC, Stevens BD, Aspnes GE, Bian J, Didiuk MT, Filipski KJ, Moore D, Perreault C, Sammons MF, Tu M, Brown J, Atkinson K, Litchfield J, Tan B, Samas B, Zavadoski WJ, Salatto CT, Treadway J.: The design and synthesis of a potent glucagon receptor antagonist with favorable physicochemical and pharmacokinetic properties as a candidate for the treatment of type 2 diabetes mellitus. Bioorg Med Chem Lett, Volume 23 (10), 2013 Bioorg Med Chem Lett 2013 23562063
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Guzman-Perez A, Wester RT, Allen MC, Brown JA, Buchholz AR,...
Guzman-Perez A, Wester RT, Allen MC, Brown JA, Buchholz AR, Cook ER, Day WW, Hamanaka ES, Kennedy SP, Knight DR, Kowalczyk PJ, Marala RB, Mularski CJ, Novomisle WA, Ruggeri RB, Tracey WR, Hill RJ.
Discovery of zoniporide: a potent and selective sodium-hydrogen exchanger type 1 (NHE-1) inhibitor with high aqueous... Guzman-Perez A, Wester RT, Allen MC, Brown JA, Buchholz AR, Cook ER, Day WW, Hamanaka ES, Kennedy SP, Knight DR, Kowalczyk PJ, Marala RB, Mularski CJ, Novomisle WA, Ruggeri RB, Tracey WR, Hill RJ.: Discovery of zoniporide: a potent and selective sodium-hydrogen exchanger type 1 (NHE-1) inhibitor with high aqueous solubility. Bioorg Med Chem Lett, Volume 11 (6), 2001 Bioorg Med Chem Lett 2001 11277524
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Häcker HG, Leyers S, Wiendlocha J, Gütschow M, Wiese M.
Häcker HG, Leyers S, Wiendlocha J, Gütschow M, Wiese M.
Aromatic 2-(thio)ureidocarboxylic acids as a new family of modulators of multidrug resistance-associated protein 1:... Häcker HG, Leyers S, Wiendlocha J, Gütschow M, Wiese M.: Aromatic 2-(thio)ureidocarboxylic acids as a new family of modulators of multidrug resistance-associated protein 1: synthesis, biological evaluation, and structure-activity relationships. J Med Chem, Volume 52 (15), 2009 J Med Chem 2009 19580319
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Hadi V, Hotard M, Ling T, Salinas YG, Palacios G, Connelly...
Hadi V, Hotard M, Ling T, Salinas YG, Palacios G, Connelly M, Rivas F.
Evaluation of Jatropha isabelli natural products and their synthetic analogs as potential antimalarial therapeutic... Hadi V, Hotard M, Ling T, Salinas YG, Palacios G, Connelly M, Rivas F.: Evaluation of Jatropha isabelli natural products and their synthetic analogs as potential antimalarial therapeutic agents. Eur J Med Chem, Volume 65, 2013 Eur J Med Chem 2013 23747806
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Hadimani MB, Purohit MK, Vanampally C, Van der Ploeg R,...
Hadimani MB, Purohit MK, Vanampally C, Van der Ploeg R, Arballo V, Morrow D, Frizzi KE, Calcutt NA, Fernyhough P, Kotra LP.
Guaifenesin derivatives promote neurite outgrowth and protect diabetic mice from neuropathy. Hadimani MB, Purohit MK, Vanampally C, Van der Ploeg R, Arballo V, Morrow D, Frizzi KE, Calcutt NA, Fernyhough P, Kotra LP.: Guaifenesin derivatives promote neurite outgrowth and protect diabetic mice from neuropathy. J Med Chem, Volume 56 (12), 2013 J Med Chem 2013 23758573
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Haffner CD, Becherer JD, Boros EE, Cadilla R, Carpenter T,...
Haffner CD, Becherer JD, Boros EE, Cadilla R, Carpenter T, Cowan D, Deaton DN, Guo Y, Harrington W, Henke BR, Jeune MR, Kaldor I, Milliken N, Petrov KG, Preugschat F, Schulte C, Shearer BG, Shearer T, Smalley TL, Stewart EL, Stuart JD, Ulrich JC.
Discovery, Synthesis, and Biological Evaluation of Thiazoloquin(az)olin(on)es as Potent CD38 Inhibitors. Haffner CD, Becherer JD, Boros EE, Cadilla R, Carpenter T, Cowan D, Deaton DN, Guo Y, Harrington W, Henke BR, Jeune MR, Kaldor I, Milliken N, Petrov KG, Preugschat F, Schulte C, Shearer BG, Shearer T, Smalley TL, Stewart EL, Stuart JD, Ulrich JC.: Discovery, Synthesis, and Biological Evaluation of Thiazoloquin(az)olin(on)es as Potent CD38 Inhibitors. J Med Chem, Volume 58 (8), 2015 J Med Chem 2015 25828863
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Hagenbuch B.
Hagenbuch B.
Cellular entry of thyroid hormones by organic anion transporting polypeptides. Hagenbuch B.: Cellular entry of thyroid hormones by organic anion transporting polypeptides. Best Pract Res Clin Endocrinol Metab, Volume 21 (2), 2007 Best Pract Res Clin Endocrinol Metab 2007 17574004
Total substances: 10
Total passive interactions: 0
Total active interactions: 10
Hagras M, Mohammad H, Mandour MS, Hegazy YA, Ghiaty A,...
Hagras M, Mohammad H, Mandour MS, Hegazy YA, Ghiaty A, Seleem MN, Mayhoub AS.
Investigating the Antibacterial Activity of Biphenylthiazoles against Methicillin- and Vancomycin-Resistant... Hagras M, Mohammad H, Mandour MS, Hegazy YA, Ghiaty A, Seleem MN, Mayhoub AS.: Investigating the Antibacterial Activity of Biphenylthiazoles against Methicillin- and Vancomycin-Resistant Staphylococcus aureus (MRSA and VRSA). J Med Chem, Volume 60 (9), 2017 J Med Chem 2017 28436655
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Haidekker MA, Ling T, Anglo M, Stevens HY, Frangos JA,...
Haidekker MA, Ling T, Anglo M, Stevens HY, Frangos JA, Theodorakis EA.
New fluorescent probes for the measurement of cell membrane viscosity. Haidekker MA, Ling T, Anglo M, Stevens HY, Frangos JA, Theodorakis EA.: New fluorescent probes for the measurement of cell membrane viscosity. Chem Biol, Volume 8 (2), 123-131, 2001 Chem Biol 2001 11251287
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Haile PA, Casillas LN, Votta BJ, Wang GZ, Charnley AK, Dong...
Haile PA, Casillas LN, Votta BJ, Wang GZ, Charnley AK, Dong X, Bury MJ, Romano JJ, Mehlmann JF, King BW, Erhard KF, Hanning CR, Lipshutz DB, Desai BM, Capriotti CA, Schaeffer MC, Berger SB, Mahajan MK, Reilly MA, Nagilla R, Rivera EJ, Sun HH, Kenna JK, Beal AM, Ouellette MT, Kelly M, Stemp G, Convery MA, Vossenkämper A, MacDonald TT, Gough PJ, Bertin J, Marquis RW.
Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate,... Haile PA, Casillas LN, Votta BJ, Wang GZ, Charnley AK, Dong X, Bury MJ, Romano JJ, Mehlmann JF, King BW, Erhard KF, Hanning CR, Lipshutz DB, Desai BM, Capriotti CA, Schaeffer MC, Berger SB, Mahajan MK, Reilly MA, Nagilla R, Rivera EJ, Sun HH, Kenna JK, Beal AM, Ouellette MT, Kelly M, Stemp G, Convery MA, Vossenkämper A, MacDonald TT, Gough PJ, Bertin J, Marquis RW.: Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases. J Med Chem, Volume 62 (14), 2019 J Med Chem 2019 31265286
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Halland N, Schmidt F, Weiss T, Li Z, Czech J, Saas J,...
Halland N, Schmidt F, Weiss T, Li Z, Czech J, Saas J, Ding-Pfennigdorff D, Dreyer MK, Strübing C, Nazare M.
Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of... Halland N, Schmidt F, Weiss T, Li Z, Czech J, Saas J, Ding-Pfennigdorff D, Dreyer MK, Strübing C, Nazare M.: Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis. J Med Chem, Volume 65 (2), 2022 J Med Chem 2022 34931844
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Halland N, Schmidt F, Weiss T, Saas J, Li Z, Czech J,...
Halland N, Schmidt F, Weiss T, Saas J, Li Z, Czech J, Dreyer M, Hofmeister A, Mertsch K, Dietz U, Strübing C, Nazare M.
Discovery of N-[4-(1H-Pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides as Highly Active and Selective SGK1 Inhibitors. Halland N, Schmidt F, Weiss T, Saas J, Li Z, Czech J, Dreyer M, Hofmeister A, Mertsch K, Dietz U, Strübing C, Nazare M.: Discovery of N-[4-(1H-Pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides as Highly Active and Selective SGK1 Inhibitors. ACS Med Chem Lett, Volume 6 (1), 2015 ACS Med Chem Lett 2015 25589934
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Hallén S, Björquist A, Ostlund-Lindqvist AM, Sachs G.
Hallén S, Björquist A, Ostlund-Lindqvist AM, Sachs G.
Identification of a region of the ileal-type sodium/bile acid cotransporter interacting with a competitive bile acid... Hallén S, Björquist A, Ostlund-Lindqvist AM, Sachs G.: Identification of a region of the ileal-type sodium/bile acid cotransporter interacting with a competitive bile acid transport inhibitor. Biochemistry, Volume 41 (50), 2002 Biochemistry 2002 12475240
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Halmos T, Santarromana M, Antonakis K, Scherman D.
Halmos T, Santarromana M, Antonakis K, Scherman D.
Synthesis of glucose-chlorambucil derivatives and their recognition by the human GLUT1 glucose transporter. Halmos T, Santarromana M, Antonakis K, Scherman D.: Synthesis of glucose-chlorambucil derivatives and their recognition by the human GLUT1 glucose transporter. Eur J Pharmacol, Volume 318 (2-3), 1996 Eur J Pharmacol 1996 9016941
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Halmos T, Santarromana M, Antonakis K, Scherman D.
Halmos T, Santarromana M, Antonakis K, Scherman D.
Synthesis of O-methylsulfonyl derivatives of D-glucose as potential alkylating agents for targeted drug delivery to the... Halmos T, Santarromana M, Antonakis K, Scherman D.: Synthesis of O-methylsulfonyl derivatives of D-glucose as potential alkylating agents for targeted drug delivery to the brain. Evaluation of their interaction with the human erythrocyte GLUT1 hexose transporter. Carbohydr Res, Volume 299 (1-2), 1997 Carbohydr Res 1997 9129293
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Hamajima T, Takahashi F, Kato K, Sugano Y, Yamaki S,...
Hamajima T, Takahashi F, Kato K, Sugano Y, Yamaki S, Moritomo A, Kubo S, Nakamura K, Yamagami K, Hamakawa N, Yokoo K, Fukahori H.
Optimization and in vivo evaluation of pyrazolopyridines as a potent and selective PI3Kδ inhibitor. Hamajima T, Takahashi F, Kato K, Sugano Y, Yamaki S, Moritomo A, Kubo S, Nakamura K, Yamagami K, Hamakawa N, Yokoo K, Fukahori H.: Optimization and in vivo evaluation of pyrazolopyridines as a potent and selective PI3Kδ inhibitor. Bioorg Med Chem, Volume 26 (14), 2018 Bioorg Med Chem 2018 29907471
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Hamajima T, Takahashi F, Kato K, Sugano Y, Yamaki S, Suzuki...
Hamajima T, Takahashi F, Kato K, Sugano Y, Yamaki S, Suzuki D, Moritomo A, Kubo S, Nakamura K, Yamagami K, Yokoo K, Fukahori H.
Optimization of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidines to generate a highly selective PI3Kδ inhibitor. Hamajima T, Takahashi F, Kato K, Sugano Y, Yamaki S, Suzuki D, Moritomo A, Kubo S, Nakamura K, Yamagami K, Yokoo K, Fukahori H.: Optimization of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidines to generate a highly selective PI3Kδ inhibitor. Bioorg Med Chem, Volume 27 (6), 2019 Bioorg Med Chem 2019 30755348
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Hameed P S, Patil V, Solapure S, Sharma U, Madhavapeddi P,...
Hameed P S, Patil V, Solapure S, Sharma U, Madhavapeddi P, Raichurkar A, Chinnapattu M, Manjrekar P, Shanbhag G, Puttur J, Shinde V, Menasinakai S, Rudrapatana S, Achar V, Awasthy D, Nandishaiah R, Humnabadkar V, Ghosh A, Narayan C, Ramya VK, Kaur P, Sharma S, Werngren J, Hoffner S, Panduga V, Kumar CN, Reddy J, Kumar K N M, Ganguly S, Bharath S, Bheemarao U, Mukherjee K, Arora U, Gaonkar S, Coulson M, Waterson D, Sambandamurthy VK, de Sousa SM.
Novel N-linked aminopiperidine-based gyrase inhibitors with improved hERG and in vivo efficacy against Mycobacterium... Hameed P S, Patil V, Solapure S, Sharma U, Madhavapeddi P, Raichurkar A, Chinnapattu M, Manjrekar P, Shanbhag G, Puttur J, Shinde V, Menasinakai S, Rudrapatana S, Achar V, Awasthy D, Nandishaiah R, Humnabadkar V, Ghosh A, Narayan C, Ramya VK, Kaur P, Sharma S, Werngren J, Hoffner S, Panduga V, Kumar CN, Reddy J, Kumar K N M, Ganguly S, Bharath S, Bheemarao U, Mukherjee K, Arora U, Gaonkar S, Coulson M, Waterson D, Sambandamurthy VK, de Sousa SM.: Novel N-linked aminopiperidine-based gyrase inhibitors with improved hERG and in vivo efficacy against Mycobacterium tuberculosis. J Med Chem, Volume 57 (11), 2014 J Med Chem 2014 24809953
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Hameed P S, Raichurkar A, Madhavapeddi P, Menasinakai S,...
Hameed P S, Raichurkar A, Madhavapeddi P, Menasinakai S, Sharma S, Kaur P, Nandishaiah R, Panduga V, Reddy J, Sambandamurthy VK, Sriram D.
Benzimidazoles: novel mycobacterial gyrase inhibitors from scaffold morphing. Hameed P S, Raichurkar A, Madhavapeddi P, Menasinakai S, Sharma S, Kaur P, Nandishaiah R, Panduga V, Reddy J, Sambandamurthy VK, Sriram D.: Benzimidazoles: novel mycobacterial gyrase inhibitors from scaffold morphing. ACS Med Chem Lett, Volume 5 (7), 2014 ACS Med Chem Lett 2014 25050172
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Hamilton MM, Mseeh F, McAfoos TJ, Leonard PG, Reyna NJ,...
Hamilton MM, Mseeh F, McAfoos TJ, Leonard PG, Reyna NJ, Harris AL, Xu A, Han M, Soth MJ, Czako B, Theroff JP, Mandal PK, Burke JP, Virgin-Downey B, Petrocchi A, Pfaffinger D, Rogers NE, Parker CA, Yu SS, Jiang Y, Krapp S, Lammens A, Trevitt G, Tremblay MR, Mikule K, Wilcoxen K, Cross JB, Jones P, Marszalek JR, Lewis RT.
Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. Hamilton MM, Mseeh F, McAfoos TJ, Leonard PG, Reyna NJ, Harris AL, Xu A, Han M, Soth MJ, Czako B, Theroff JP, Mandal PK, Burke JP, Virgin-Downey B, Petrocchi A, Pfaffinger D, Rogers NE, Parker CA, Yu SS, Jiang Y, Krapp S, Lammens A, Trevitt G, Tremblay MR, Mikule K, Wilcoxen K, Cross JB, Jones P, Marszalek JR, Lewis RT.: Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J Med Chem, Volume 64 (15), 2021 J Med Chem 2021 34292726
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Hamilton NM, Dawson M, Fairweather EE, Hamilton NS, Hitchin...
Hamilton NM, Dawson M, Fairweather EE, Hamilton NS, Hitchin JR, James DI, Jones SD, Jordan AM, Lyons AJ, Small HF, Thomson GJ, Waddell ID, Ogilvie DJ.
Novel steroid inhibitors of glucose 6-phosphate dehydrogenase. Hamilton NM, Dawson M, Fairweather EE, Hamilton NS, Hitchin JR, James DI, Jones SD, Jordan AM, Lyons AJ, Small HF, Thomson GJ, Waddell ID, Ogilvie DJ.: Novel steroid inhibitors of glucose 6-phosphate dehydrogenase. J Med Chem, Volume 55 (9), 2012 J Med Chem 2012 22506561
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Hammad A, Abutaleb NS, Elsebaei MM, Norvil AB, Alswah M,...
Hammad A, Abutaleb NS, Elsebaei MM, Norvil AB, Alswah M, Ali AO, Abdel-Aleem JA, Alattar A, Bayoumi SA, Gowher H, Seleem MN, Mayhoub AS.
From Phenylthiazoles to Phenylpyrazoles: Broadening the Antibacterial Spectrum toward Carbapenem-Resistant Bacteria. Hammad A, Abutaleb NS, Elsebaei MM, Norvil AB, Alswah M, Ali AO, Abdel-Aleem JA, Alattar A, Bayoumi SA, Gowher H, Seleem MN, Mayhoub AS.: From Phenylthiazoles to Phenylpyrazoles: Broadening the Antibacterial Spectrum toward Carbapenem-Resistant Bacteria. J Med Chem, Volume 62 (17), 2019 J Med Chem 2019 31369262
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Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu...
Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.
Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J Med Chem, Volume 61 (7), 2018 J Med Chem 2018 29547696
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Hammock BD, McReynolds CB, Wagner K, Buckpitt A,...
Hammock BD, McReynolds CB, Wagner K, Buckpitt A, Cortes-Puch I, Croston G, Lee KSS, Yang J, Schmidt WK, Hwang SH.
Movement to the Clinic of Soluble Epoxide Hydrolase Inhibitor EC5026 as an Analgesic for Neuropathic Pain and for Use... Hammock BD, McReynolds CB, Wagner K, Buckpitt A, Cortes-Puch I, Croston G, Lee KSS, Yang J, Schmidt WK, Hwang SH.: Movement to the Clinic of Soluble Epoxide Hydrolase Inhibitor EC5026 as an Analgesic for Neuropathic Pain and for Use as a Nonaddictive Opioid Alternative. J Med Chem, Volume 64 (4), 2021 J Med Chem 2021 33550801
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Hammond JR, Archer RG.
Hammond JR, Archer RG.
Interaction of the novel adenosine uptake inhibitor... Hammond JR, Archer RG.: Interaction of the novel adenosine uptake inhibitor 3-[1-(6,7-diethoxy-2-morpholinoquinazolin-4-yl)piperidin-4-yl]-1,6-dimethyl-2,4(1H,3H)-quinazolinedione hydrochloride (KF24345) with the es and ei subtypes of equilibrative nucleoside transporters. J Pharmacol Exp Ther, Volume 308 (3), 2004 J Pharmacol Exp Ther 2004 14634039
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Hammond JR.
Hammond JR.
Interaction of a series of draflazine analogues with equilibrative nucleoside transporters: species differences and... Hammond JR.: Interaction of a series of draflazine analogues with equilibrative nucleoside transporters: species differences and transporter subtype selectivity. Naunyn Schmiedebergs Arch Pharmacol, Volume 361 (4), 2000 Naunyn Schmiedebergs Arch Pharmacol 2000 10763851
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Han F, Lin S, Liu P, Liu X, Tao J, Deng X, Yi C, Xu H.
Han F, Lin S, Liu P, Liu X, Tao J, Deng X, Yi C, Xu H.
Discovery of a Novel Series of Thienopyrimidine as Highly Potent and Selective PI3K Inhibitors. Han F, Lin S, Liu P, Liu X, Tao J, Deng X, Yi C, Xu H.: Discovery of a Novel Series of Thienopyrimidine as Highly Potent and Selective PI3K Inhibitors. ACS Med Chem Lett, Volume 6 (4), 2015 ACS Med Chem Lett 2015 25893045
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Han F, Lin S, Liu P, Tao J, Yi C, Xu H.
Han F, Lin S, Liu P, Tao J, Yi C, Xu H.
Synthesis and structure-activity relationships of PI3K/mTOR dual inhibitors from a series of... Han F, Lin S, Liu P, Tao J, Yi C, Xu H.: Synthesis and structure-activity relationships of PI3K/mTOR dual inhibitors from a series of 2-amino-4-methylpyrido[2,3-d]pyrimidine derivatives. Bioorg Med Chem Lett, Volume 24 (18), 2014 Bioorg Med Chem Lett 2014 25139570
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Han H, de Vrueh RL, Rhie JK, Covitz KM, Smith PL, Lee CP,...
Han H, de Vrueh RL, Rhie JK, Covitz KM, Smith PL, Lee CP, Oh DM, Sadée W, Amidon GL.
5'-Amino acid esters of antiviral nucleosides, acyclovir, and AZT are absorbed by the intestinal PEPT1 peptide... Han H, de Vrueh RL, Rhie JK, Covitz KM, Smith PL, Lee CP, Oh DM, Sadée W, Amidon GL.: 5'-Amino acid esters of antiviral nucleosides, acyclovir, and AZT are absorbed by the intestinal PEPT1 peptide transporter. Pharm Res, Volume 15 (8), 1998 Pharm Res 1998 9706043
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Han HK.
Han HK.
Role of transporters in drug interactions. Han HK.: Role of transporters in drug interactions. Arch Pharm Res, Volume 34 (11), 2011 Arch Pharm Res 2011 22139686
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Han M, Song C, Jeong N, Hahn HG.
Han M, Song C, Jeong N, Hahn HG.
Exploration of 3-Aminoazetidines as Triple Reuptake Inhibitors by Bioisosteric Modification of 3-α-Oxyazetidine. Han M, Song C, Jeong N, Hahn HG.: Exploration of 3-Aminoazetidines as Triple Reuptake Inhibitors by Bioisosteric Modification of 3-α-Oxyazetidine. ACS Med Chem Lett, Volume 5 (9), 2014 ACS Med Chem Lett 2014 25221656
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Han SY, Choi JW, Yang J, Chae CH, Lee J, Jung H, Lee K, Ha...
Han SY, Choi JW, Yang J, Chae CH, Lee J, Jung H, Lee K, Ha JD, Kim HR, Cho SY.
Design and synthesis of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-ones as VEGFR-2 kinase... Han SY, Choi JW, Yang J, Chae CH, Lee J, Jung H, Lee K, Ha JD, Kim HR, Cho SY.: Design and synthesis of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-ones as VEGFR-2 kinase inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22450128
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Han W, Ding Y, Chen Z, Langowski JL, Bellamacina C, Rico A,...
Han W, Ding Y, Chen Z, Langowski JL, Bellamacina C, Rico A, Nishiguchi GA, Lan J, Atallah G, Lindvall M, Lin S, Zang R, Feucht P, Zavorotinskaya T, Dai Y, Garcia P, Burger MT.
Synthesis and Structure-Activity Relationship of Tetra-Substituted Cyclohexyl Diol Inhibitors of Proviral Insertion of... Han W, Ding Y, Chen Z, Langowski JL, Bellamacina C, Rico A, Nishiguchi GA, Lan J, Atallah G, Lindvall M, Lin S, Zang R, Feucht P, Zavorotinskaya T, Dai Y, Garcia P, Burger MT.: Synthesis and Structure-Activity Relationship of Tetra-Substituted Cyclohexyl Diol Inhibitors of Proviral Insertion of Moloney Virus (PIM) Kinases. J Med Chem, Volume 63 (23), 2020 J Med Chem 2020 33258605
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Han W, Ding Y, Xu Y, Pfister K, Zhu S, Warne B, Doyle M,...
Han W, Ding Y, Xu Y, Pfister K, Zhu S, Warne B, Doyle M, Aikawa M, Amiri P, Appleton B, Stuart DD, Fanidi A, Shafer CM.
Discovery of a Selective and Potent Inhibitor of Mitogen-Activated Protein Kinase-Interacting Kinases 1 and 2 (MNK1/2)... Han W, Ding Y, Xu Y, Pfister K, Zhu S, Warne B, Doyle M, Aikawa M, Amiri P, Appleton B, Stuart DD, Fanidi A, Shafer CM.: Discovery of a Selective and Potent Inhibitor of Mitogen-Activated Protein Kinase-Interacting Kinases 1 and 2 (MNK1/2) Utilizing Structure-Based Drug Design. J Med Chem, Volume 59 (7), 2016 J Med Chem 2016 27002243
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Han W, Menezes DL, Xu Y, Knapp MS, Elling R, Burger MT, Ni...
Han W, Menezes DL, Xu Y, Knapp MS, Elling R, Burger MT, Ni ZJ, Smith A, Lan J, Williams TE, Verhagen J, Huh K, Merritt H, Chan J, Kaufman S, Voliva CF, Pecchi S.
Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model. Han W, Menezes DL, Xu Y, Knapp MS, Elling R, Burger MT, Ni ZJ, Smith A, Lan J, Williams TE, Verhagen J, Huh K, Merritt H, Chan J, Kaufman S, Voliva CF, Pecchi S.: Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model. Bioorg Med Chem Lett, Volume 26 (3), 2016 Bioorg Med Chem Lett 2016 26774655
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Han Y, Han M, Shin D, Song C, Hahn HG.
Han Y, Han M, Shin D, Song C, Hahn HG.
Exploration of novel 3-substituted azetidine derivatives as triple reuptake inhibitors. Han Y, Han M, Shin D, Song C, Hahn HG.: Exploration of novel 3-substituted azetidine derivatives as triple reuptake inhibitors. J Med Chem, Volume 55 (18), 2012 J Med Chem 2012 22938049
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Han Z, Pinkner JS, Ford B, Chorell E, Crowley JM, Cusumano...
Han Z, Pinkner JS, Ford B, Chorell E, Crowley JM, Cusumano CK, Campbell S, Henderson JP, Hultgren SJ, Janetka JW.
Lead optimization studies on FimH antagonists: discovery of potent and orally bioavailable ortho-substituted biphenyl... Han Z, Pinkner JS, Ford B, Chorell E, Crowley JM, Cusumano CK, Campbell S, Henderson JP, Hultgren SJ, Janetka JW.: Lead optimization studies on FimH antagonists: discovery of potent and orally bioavailable ortho-substituted biphenyl mannosides. J Med Chem, Volume 55 (8), 2012 J Med Chem 2012 22449031
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Hanan EJ, Baumgardner M, Bryan MC, Chen Y, Eigenbrot C, Fan...
Hanan EJ, Baumgardner M, Bryan MC, Chen Y, Eigenbrot C, Fan P, Gu XH, La H, Malek S, Purkey HE, Schaefer G, Schmidt S, Sideris S, Yen I, Yu C, Heffron TP.
4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor... Hanan EJ, Baumgardner M, Bryan MC, Chen Y, Eigenbrot C, Fan P, Gu XH, La H, Malek S, Purkey HE, Schaefer G, Schmidt S, Sideris S, Yen I, Yu C, Heffron TP.: 4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. Bioorg Med Chem Lett, Volume 26 (2), 2016 Bioorg Med Chem Lett 2016 26639762
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Hanan EJ, van Abbema A, Barrett K, Blair WS, Blaney J,...
Hanan EJ, van Abbema A, Barrett K, Blair WS, Blaney J, Chang C, Eigenbrot C, Flynn S, Gibbons P, Hurley CA, Kenny JR, Kulagowski J, Lee L, Magnuson SR, Morris C, Murray J, Pastor RM, Rawson T, Siu M, Ultsch M, Zhou A, Sampath D, Lyssikatos JP.
Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. Hanan EJ, van Abbema A, Barrett K, Blair WS, Blaney J, Chang C, Eigenbrot C, Flynn S, Gibbons P, Hurley CA, Kenny JR, Kulagowski J, Lee L, Magnuson SR, Morris C, Murray J, Pastor RM, Rawson T, Siu M, Ultsch M, Zhou A, Sampath D, Lyssikatos JP.: Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. J Med Chem, Volume 55 (22), 2012 J Med Chem 2012 23061660
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Hannaert P, Alvarez-Guerra M, Pirot D, Nazaret C, Garay RP.
Hannaert P, Alvarez-Guerra M, Pirot D, Nazaret C, Garay RP.
Rat NKCC2/NKCC1 cotransporter selectivity for loop diuretic drugs. Hannaert P, Alvarez-Guerra M, Pirot D, Nazaret C, Garay RP.: Rat NKCC2/NKCC1 cotransporter selectivity for loop diuretic drugs. Naunyn Schmiedebergs Arch Pharmacol, Volume 365 (3), 2002 Naunyn Schmiedebergs Arch Pharmacol 2002 11882915
Total substances: 3
Total passive interactions: 0
Total active interactions: 5
Hansen BB, Jepsen TH, Larsen M, Sindet R, Vifian T,...
Hansen BB, Jepsen TH, Larsen M, Sindet R, Vifian T, Burhardt MN, Larsen J, Seitzberg JG, Carnerup MA, Jerre A, Mølck C, Lovato P, Rai S, Nasipireddy VR, Ritzén A.
Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. Hansen BB, Jepsen TH, Larsen M, Sindet R, Vifian T, Burhardt MN, Larsen J, Seitzberg JG, Carnerup MA, Jerre A, Mølck C, Lovato P, Rai S, Nasipireddy VR, Ritzén A.: Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J Med Chem, Volume 63 (13), 2020 J Med Chem 2020 32462873
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Harcken C, Csengery J, Turner M, Wu L, Liang S, Sibley R,...
Harcken C, Csengery J, Turner M, Wu L, Liang S, Sibley R, Brunette S, Labadia M, Hoyt K, Wayne A, Wieckowski T, Davis G, Panzenbeck M, Souza D, Kugler S, Terenzio D, Collin D, Smith D, Fryer RM, Tseng YC, Hehn JP, Fletcher K, Hughes RO.
Discovery of a Series of Pyrazinone RORγ Antagonists and Identification of the Clinical Candidate BI 730357. Harcken C, Csengery J, Turner M, Wu L, Liang S, Sibley R, Brunette S, Labadia M, Hoyt K, Wayne A, Wieckowski T, Davis G, Panzenbeck M, Souza D, Kugler S, Terenzio D, Collin D, Smith D, Fryer RM, Tseng YC, Hehn JP, Fletcher K, Hughes RO.: Discovery of a Series of Pyrazinone RORγ Antagonists and Identification of the Clinical Candidate BI 730357. ACS Med Chem Lett, Volume 12 (1), 2021 ACS Med Chem Lett 2021 33488976
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Harcken C, Riether D, Kuzmich D, Liu P, Betageri R, Ralph...
Harcken C, Riether D, Kuzmich D, Liu P, Betageri R, Ralph M, Emmanuel M, Reeves JT, Berry A, Souza D, Nelson RM, Kukulka A, Fadra TN, Zuvela-Jelaska L, Dinallo R, Bentzien J, Nabozny GH, Thomson DS.
Identification of highly efficacious glucocorticoid receptor agonists with a potential for reduced clinical bone side... Harcken C, Riether D, Kuzmich D, Liu P, Betageri R, Ralph M, Emmanuel M, Reeves JT, Berry A, Souza D, Nelson RM, Kukulka A, Fadra TN, Zuvela-Jelaska L, Dinallo R, Bentzien J, Nabozny GH, Thomson DS.: Identification of highly efficacious glucocorticoid receptor agonists with a potential for reduced clinical bone side effects. J Med Chem, Volume 57 (4), 2014 J Med Chem 2014 24506830
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Harding SD, Armstrong JF, Faccenda E, Southan C, Alexander...
Harding SD, Armstrong JF, Faccenda E, Southan C, Alexander SPH, Davenport AP, Spedding M, Davies JA.
The IUPHAR/BPS Guide to PHARMACOLOGY in 2024. Harding SD, Armstrong JF, Faccenda E, Southan C, Alexander SPH, Davenport AP, Spedding M, Davies JA.: The IUPHAR/BPS Guide to PHARMACOLOGY in 2024. Nucleic Acids Res, Volume 52 (d1), D1438-D1449, 2024 Nucleic Acids Res 2024 37897341
Total substances: 155
Total passive interactions: 0
Total active interactions: 209
Harrington PE, Croghan MD, Fotsch C, Frohn M, Lanman BA,...
Harrington PE, Croghan MD, Fotsch C, Frohn M, Lanman BA, Pennington LD, Pickrell AJ, Reed AB, Sham KK, Tasker A, Arnett HA, Fiorino M, Lee MR, McElvain M, Morrison HG, Xu H, Xu Y, Zhang X, Wong M, Cee VJ.
Optimization of a Potent, Orally Active S1P1 Agonist Containing a Quinolinone Core. Harrington PE, Croghan MD, Fotsch C, Frohn M, Lanman BA, Pennington LD, Pickrell AJ, Reed AB, Sham KK, Tasker A, Arnett HA, Fiorino M, Lee MR, McElvain M, Morrison HG, Xu H, Xu Y, Zhang X, Wong M, Cee VJ.: Optimization of a Potent, Orally Active S1P1 Agonist Containing a Quinolinone Core. ACS Med Chem Lett, Volume 3 (1), 2012 ACS Med Chem Lett 2012 24900374
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Harris PA, Berger SB, Jeong JU, Nagilla R, Bandyopadhyay D,...
Harris PA, Berger SB, Jeong JU, Nagilla R, Bandyopadhyay D, Campobasso N, Capriotti CA, Cox JA, Dare L, Dong X, Eidam PM, Finger JN, Hoffman SJ, Kang J, Kasparcova V, King BW, Lehr R, Lan Y, Leister LK, Lich JD, MacDonald TT, Miller NA, Ouellette MT, Pao CS, Rahman A, Reilly MA, Rendina AR, Rivera EJ, Schaeffer MC, Sehon CA, Singhaus RR, Sun HH, Swift BA, Totoritis RD, Vossenkämper A, Ward P, Wisnoski DD, Zhang D, Marquis RW, Gough PJ, Bertin J.
Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for... Harris PA, Berger SB, Jeong JU, Nagilla R, Bandyopadhyay D, Campobasso N, Capriotti CA, Cox JA, Dare L, Dong X, Eidam PM, Finger JN, Hoffman SJ, Kang J, Kasparcova V, King BW, Lehr R, Lan Y, Leister LK, Lich JD, MacDonald TT, Miller NA, Ouellette MT, Pao CS, Rahman A, Reilly MA, Rendina AR, Rivera EJ, Schaeffer MC, Sehon CA, Singhaus RR, Sun HH, Swift BA, Totoritis RD, Vossenkämper A, Ward P, Wisnoski DD, Zhang D, Marquis RW, Gough PJ, Bertin J.: Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases. J Med Chem, Volume 60 (4), 2017 J Med Chem 2017 28151659
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Harrison D, Bock MG, Doedens JR, Gabel CA, Holloway MK,...
Harrison D, Bock MG, Doedens JR, Gabel CA, Holloway MK, Lewis A, Scanlon J, Sharpe A, Simpson ID, Smolak P, Wishart G, Watt AP.
Discovery and Optimization of Triazolopyrimidinone Derivatives as Selective NLRP3 Inflammasome Inhibitors. Harrison D, Bock MG, Doedens JR, Gabel CA, Holloway MK, Lewis A, Scanlon J, Sharpe A, Simpson ID, Smolak P, Wishart G, Watt AP.: Discovery and Optimization of Triazolopyrimidinone Derivatives as Selective NLRP3 Inflammasome Inhibitors. ACS Med Chem Lett, Volume 13 (8), 2022 ACS Med Chem Lett 2022 35978696
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Harrison D, Boutard N, Brzozka K, Bugaj M, Chmielewski S,...
Harrison D, Boutard N, Brzozka K, Bugaj M, Chmielewski S, Cierpich A, Doedens JR, Fabritius CRY, Gabel CA, Galezowski M, Kowalczyk P, Levenets O, Mroczkowska M, Palica K, Porter RA, Schultz D, Sowinska M, Topolnicki G, Urbanski P, Woyciechowski J, Watt AP.
Discovery of a series of ester-substituted NLRP3 inflammasome inhibitors. Harrison D, Boutard N, Brzozka K, Bugaj M, Chmielewski S, Cierpich A, Doedens JR, Fabritius CRY, Gabel CA, Galezowski M, Kowalczyk P, Levenets O, Mroczkowska M, Palica K, Porter RA, Schultz D, Sowinska M, Topolnicki G, Urbanski P, Woyciechowski J, Watt AP.: Discovery of a series of ester-substituted NLRP3 inflammasome inhibitors. Bioorg Med Chem Lett, Volume 30 (23), 2020 Bioorg Med Chem Lett 2020 32956781
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Harrison TJ, Bauer D, Berdichevsky A, Chen X, Duvadie R,...
Harrison TJ, Bauer D, Berdichevsky A, Chen X, Duvadie R, Hoogheem B, Hatsis P, Liu Q, Mao J, Miduturu V, Rocheford E, Zecri F, Zessis R, Zheng R, Zhu Q, Streeper R, Patel SJ.
Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor. Harrison TJ, Bauer D, Berdichevsky A, Chen X, Duvadie R, Hoogheem B, Hatsis P, Liu Q, Mao J, Miduturu V, Rocheford E, Zecri F, Zessis R, Zheng R, Zhu Q, Streeper R, Patel SJ.: Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor. ACS Med Chem Lett, Volume 10 (8), 2019 ACS Med Chem Lett 2019 31413796
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Hart AC, Schroeder GM, Wan H, Grebinski J, Inghrim J,...
Hart AC, Schroeder GM, Wan H, Grebinski J, Inghrim J, Kempson J, Guo J, Pitts WJ, Tokarski JS, Sack JS, Khan JA, Lippy J, Lorenzi MV, You D, McDevitt T, Vuppugalla R, Zhang Y, Lombardo LJ, Trainor GL, Purandare AV.
Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors. Hart AC, Schroeder GM, Wan H, Grebinski J, Inghrim J, Kempson J, Guo J, Pitts WJ, Tokarski JS, Sack JS, Khan JA, Lippy J, Lorenzi MV, You D, McDevitt T, Vuppugalla R, Zhang Y, Lombardo LJ, Trainor GL, Purandare AV.: Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors. ACS Med Chem Lett, Volume 6 (8), 2015 ACS Med Chem Lett 2015 26288682
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Hartz RA, Ahuja VT, Nara SJ, Kumar CMV, Brown JM, Bristow...
Hartz RA, Ahuja VT, Nara SJ, Kumar CMV, Brown JM, Bristow LJ, Rajamani R, Muckelbauer JK, Camac D, Kiefer SE, Hunihan L, Gulianello M, Lewis M, Easton A, Lippy JS, Surti N, Pattipati SN, Dokania M, Elavazhagan S, Dandapani K, Hamman BD, Allen J, Kostich W, Bronson JJ, Macor JE, Dzierba CD.
Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor... Hartz RA, Ahuja VT, Nara SJ, Kumar CMV, Brown JM, Bristow LJ, Rajamani R, Muckelbauer JK, Camac D, Kiefer SE, Hunihan L, Gulianello M, Lewis M, Easton A, Lippy JS, Surti N, Pattipati SN, Dokania M, Elavazhagan S, Dandapani K, Hamman BD, Allen J, Kostich W, Bronson JJ, Macor JE, Dzierba CD.: Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J Med Chem, Volume 64 (15), 2021 J Med Chem 2021 34270254
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Hartz RA, Ahuja VT, Nara SJ, Kumar CMV, Manepalli RKVLP,...
Hartz RA, Ahuja VT, Nara SJ, Kumar CMV, Manepalli RKVLP, Sarvasiddhi SK, Honkhambe S, Patankar V, Dasgupta B, Rajamani R, Muckelbauer JK, Camac DM, Ghosh K, Pokross M, Kiefer SE, Brown JM, Hunihan L, Gulianello M, Lewis M, Lippy JS, Surti N, Hamman BD, Allen J, Kostich WA, Bronson JJ, Macor JE, Dzierba CD.
Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated... Hartz RA, Ahuja VT, Nara SJ, Kumar CMV, Manepalli RKVLP, Sarvasiddhi SK, Honkhambe S, Patankar V, Dasgupta B, Rajamani R, Muckelbauer JK, Camac DM, Ghosh K, Pokross M, Kiefer SE, Brown JM, Hunihan L, Gulianello M, Lewis M, Lippy JS, Surti N, Hamman BD, Allen J, Kostich WA, Bronson JJ, Macor JE, Dzierba CD.: Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J Med Chem, Volume 65 (5), 2022 J Med Chem 2022 35171586
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Harvey AJ, Avery TD, Schaeffer L, Joseph C, Huff BC, Singh...
Harvey AJ, Avery TD, Schaeffer L, Joseph C, Huff BC, Singh R, Morice C, Giethlen B, Grishin AA, Coles CJ, Kolesik P, Wagner S, Andriambeloson E, Huyard B, Poiraud E, Paul D, O'Connor SM.
Discovery of BNC375, a Potent, Selective, and Orally Available Type I Positive Allosteric Modulator of α7 nAChRs. Harvey AJ, Avery TD, Schaeffer L, Joseph C, Huff BC, Singh R, Morice C, Giethlen B, Grishin AA, Coles CJ, Kolesik P, Wagner S, Andriambeloson E, Huyard B, Poiraud E, Paul D, O'Connor SM.: Discovery of BNC375, a Potent, Selective, and Orally Available Type I Positive Allosteric Modulator of α7 nAChRs. ACS Med Chem Lett, Volume 10 (5), 2019 ACS Med Chem Lett 2019 31097995
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Hashimoto K, Saito B, Miyamoto N, Oguro Y, Tomita D,...
Hashimoto K, Saito B, Miyamoto N, Oguro Y, Tomita D, Shiokawa Z, Asano M, Kakei H, Taya N, Kawasaki M, Sumi H, Yabuki M, Iwai K, Yoshida S, Yoshimatsu M, Aoyama K, Kosugi Y, Kojima T, Morishita N, Dougan DR, Snell GP, Imamura S, Ishikawa T.
Design and synthesis of potent inhibitor of apoptosis (IAP) proteins antagonists bearing an... Hashimoto K, Saito B, Miyamoto N, Oguro Y, Tomita D, Shiokawa Z, Asano M, Kakei H, Taya N, Kawasaki M, Sumi H, Yabuki M, Iwai K, Yoshida S, Yoshimatsu M, Aoyama K, Kosugi Y, Kojima T, Morishita N, Dougan DR, Snell GP, Imamura S, Ishikawa T.: Design and synthesis of potent inhibitor of apoptosis (IAP) proteins antagonists bearing an octahydropyrrolo[1,2-a]pyrazine scaffold as a novel proline mimetic. J Med Chem, Volume 56 (3), 2013 J Med Chem 2013 23298277
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Hassan MM, Israelian J, Nawar N, Ganda G, Manaswiyoungkul...
Hassan MM, Israelian J, Nawar N, Ganda G, Manaswiyoungkul P, Raouf YS, Armstrong D, Sedighi A, Olaoye OO, Erdogan F, Cabral AD, Angeles F, Altintas R, de Araujo ED, Gunning PT.
Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting. Hassan MM, Israelian J, Nawar N, Ganda G, Manaswiyoungkul P, Raouf YS, Armstrong D, Sedighi A, Olaoye OO, Erdogan F, Cabral AD, Angeles F, Altintas R, de Araujo ED, Gunning PT.: Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting. J Med Chem, Volume 63 (15), 2020 J Med Chem 2020 32672458
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Hayashi S, Nakata E, Morita A, Mizuno K, Yamamura K, Kato...
Hayashi S, Nakata E, Morita A, Mizuno K, Yamamura K, Kato A, Ohashi K.
Discovery of {1-[4-(2-{hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-1H-benzimidazol-1-yl)piperidin-1-yl]cyclooctyl}methanol,... Hayashi S, Nakata E, Morita A, Mizuno K, Yamamura K, Kato A, Ohashi K.: Discovery of {1-[4-(2-{hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-1H-benzimidazol-1-yl)piperidin-1-yl]cyclooctyl}methanol, systemically potent novel non-peptide agonist of nociceptin/orphanin FQ receptor as analgesic for the treatment of neuropathic pain: design, synthesis, and structure-activity relationships. Bioorg Med Chem, Volume 18 (21), 2010 Bioorg Med Chem 2010 20875743
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Hayashi T, Tsuchikawa H, Umegawa Y, Murata M.
Hayashi T, Tsuchikawa H, Umegawa Y, Murata M.
Small structural alterations greatly influence the membrane affinity of lipophilic ligands: Membrane interactions of... Hayashi T, Tsuchikawa H, Umegawa Y, Murata M.: Small structural alterations greatly influence the membrane affinity of lipophilic ligands: Membrane interactions of bafilomycin A1 and its desmethyl derivative bearing 19F-labeling. Bioorg Med Chem, Volume 27 (8), 2019 Bioorg Med Chem 2019 30878192
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Hayashi Y, Takayama K, Suehisa Y, Fujita T, Nguyen JT,...
Hayashi Y, Takayama K, Suehisa Y, Fujita T, Nguyen JT, Futaki S, Yamamoto A, Kiso Y.
Development of oligoarginine-drug conjugates linked to new peptidic self-cleavable spacers toward effective intestinal... Hayashi Y, Takayama K, Suehisa Y, Fujita T, Nguyen JT, Futaki S, Yamamoto A, Kiso Y.: Development of oligoarginine-drug conjugates linked to new peptidic self-cleavable spacers toward effective intestinal absorption. Bioorg Med Chem Lett, Volume 17 (18), 2007 Bioorg Med Chem Lett 2007 17662604
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Haydar SN, Yun H, Andrae PM, Mattes J, Zhang J, Kramer A,...
Haydar SN, Yun H, Andrae PM, Mattes J, Zhang J, Kramer A, Smith DL, Huselton C, Graf R, Aschmies S, Schechter LE, Comery TA, Robichaud AJ.
5-Cyclic amine-3-arylsulfonylindazoles as novel 5-HT6 receptor antagonists. Haydar SN, Yun H, Andrae PM, Mattes J, Zhang J, Kramer A, Smith DL, Huselton C, Graf R, Aschmies S, Schechter LE, Comery TA, Robichaud AJ.: 5-Cyclic amine-3-arylsulfonylindazoles as novel 5-HT6 receptor antagonists. J Med Chem, Volume 53 (6), 2010 J Med Chem 2010 20170099
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Hayer-Zillgen M, Brüss M, Bönisch H.
Hayer-Zillgen M, Brüss M, Bönisch H.
Expression and pharmacological profile of the human organic cation transporters hOCT1, hOCT2 and hOCT3. Hayer-Zillgen M, Brüss M, Bönisch H.: Expression and pharmacological profile of the human organic cation transporters hOCT1, hOCT2 and hOCT3. Br J Pharmacol, Volume 136 (6), 2002 Br J Pharmacol 2002 12110607
Total substances: 7
Total passive interactions: 0
Total active interactions: 9
Hazlitt RA, Teitz T, Bonga JD, Fang J, Diao S, Iconaru L,...
Hazlitt RA, Teitz T, Bonga JD, Fang J, Diao S, Iconaru L, Yang L, Goktug AN, Currier DG, Chen T, Rankovic Z, Min J, Zuo J.
Development of Second-Generation CDK2 Inhibitors for the Prevention of Cisplatin-Induced Hearing Loss. Hazlitt RA, Teitz T, Bonga JD, Fang J, Diao S, Iconaru L, Yang L, Goktug AN, Currier DG, Chen T, Rankovic Z, Min J, Zuo J.: Development of Second-Generation CDK2 Inhibitors for the Prevention of Cisplatin-Induced Hearing Loss. J Med Chem, Volume 61 (17), 2018 J Med Chem 2018 30091915
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He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X,...
He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.
Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication... He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017 J Med Chem 2017 28636348
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He S, Xiao J, Dulcey AE, Lin B, Rolt A, Hu Z, Hu X, Wang...
He S, Xiao J, Dulcey AE, Lin B, Rolt A, Hu Z, Hu X, Wang AQ, Xu X, Southall N, Ferrer M, Zheng W, Liang TJ, Marugan JJ.
Discovery, Optimization, and Characterization of Novel Chlorcyclizine Derivatives for the Treatment of Hepatitis C... He S, Xiao J, Dulcey AE, Lin B, Rolt A, Hu Z, Hu X, Wang AQ, Xu X, Southall N, Ferrer M, Zheng W, Liang TJ, Marugan JJ.: Discovery, Optimization, and Characterization of Novel Chlorcyclizine Derivatives for the Treatment of Hepatitis C Virus Infection. J Med Chem, Volume 59 (3), 2016 J Med Chem 2016 26599718
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He T, Edwards TC, Xie J, Aihara H, Geraghty RJ, Wang Z.
He T, Edwards TC, Xie J, Aihara H, Geraghty RJ, Wang Z.
4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus... He T, Edwards TC, Xie J, Aihara H, Geraghty RJ, Wang Z.: 4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease. J Med Chem, Volume 65 (7), 2022 J Med Chem 2022 35377638
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He X, He G, Chu Z, Wu H, Wang J, Ge Y, Shen H, Zhang S,...
He X, He G, Chu Z, Wu H, Wang J, Ge Y, Shen H, Zhang S, Shan J, Peng K, Wei Z, Zou Y, Xu Y, Zhu Q.
Discovery of the First Potent IDO1/IDO2 Dual Inhibitors: A Promising Strategy for Cancer Immunotherapy. He X, He G, Chu Z, Wu H, Wang J, Ge Y, Shen H, Zhang S, Shan J, Peng K, Wei Z, Zou Y, Xu Y, Zhu Q.: Discovery of the First Potent IDO1/IDO2 Dual Inhibitors: A Promising Strategy for Cancer Immunotherapy. J Med Chem, Volume 64 (24), 2021 J Med Chem 2021 34854662
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Heald R, Bowman KK, Bryan MC, Burdick D, Chan B, Chan E,...
Heald R, Bowman KK, Bryan MC, Burdick D, Chan B, Chan E, Chen Y, Clausen S, Dominguez-Fernandez B, Eigenbrot C, Elliott R, Hanan EJ, Jackson P, Knight J, La H, Lainchbury M, Malek S, Mann S, Merchant M, Mortara K, Purkey H, Schaefer G, Schmidt S, Seward E, Sideris S, Shao L, Wang S, Yeap K, Yen I, Yu C, Heffron TP.
Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. Heald R, Bowman KK, Bryan MC, Burdick D, Chan B, Chan E, Chen Y, Clausen S, Dominguez-Fernandez B, Eigenbrot C, Elliott R, Hanan EJ, Jackson P, Knight J, La H, Lainchbury M, Malek S, Mann S, Merchant M, Mortara K, Purkey H, Schaefer G, Schmidt S, Seward E, Sideris S, Shao L, Wang S, Yeap K, Yen I, Yu C, Heffron TP.: Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J Med Chem, Volume 58 (22), 2015 J Med Chem 2015 26455919
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Heald RA, Jackson P, Savy P, Jones M, Gancia E, Burton B,...
Heald RA, Jackson P, Savy P, Jones M, Gancia E, Burton B, Newman R, Boggs J, Chan E, Chan J, Choo E, Merchant M, Rudewicz P, Ultsch M, Wiesmann C, Yue Q, Belvin M, Price S.
Discovery of novel allosteric mitogen-activated protein kinase kinase (MEK) 1,2 inhibitors possessing bidentate Ser212... Heald RA, Jackson P, Savy P, Jones M, Gancia E, Burton B, Newman R, Boggs J, Chan E, Chan J, Choo E, Merchant M, Rudewicz P, Ultsch M, Wiesmann C, Yue Q, Belvin M, Price S.: Discovery of novel allosteric mitogen-activated protein kinase kinase (MEK) 1,2 inhibitors possessing bidentate Ser212 interactions. J Med Chem, Volume 55 (10), 2012 J Med Chem 2012 22506516
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Heffernan GD, Coghlan RD, Manas ES, McDevitt RE, Li Y,...
Heffernan GD, Coghlan RD, Manas ES, McDevitt RE, Li Y, Mahaney PE, Robichaud AJ, Huselton C, Alfinito P, Bray JA, Cosmi SA, Johnston GH, Kenney T, Koury E, Winneker RC, Deecher DC, Trybulski EJ.
Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and... Heffernan GD, Coghlan RD, Manas ES, McDevitt RE, Li Y, Mahaney PE, Robichaud AJ, Huselton C, Alfinito P, Bray JA, Cosmi SA, Johnston GH, Kenney T, Koury E, Winneker RC, Deecher DC, Trybulski EJ.: Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles. Bioorg Med Chem, Volume 17 (22), 2009 Bioorg Med Chem 2009 19836247
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Heffron TP, Heald RA, Ndubaku C, Wei B, Augistin M, Do S,...
Heffron TP, Heald RA, Ndubaku C, Wei B, Augistin M, Do S, Edgar K, Eigenbrot C, Friedman L, Gancia E, Jackson PS, Jones G, Kolesnikov A, Lee LB, Lesnick JD, Lewis C, McLean N, Mörtl M, Nonomiya J, Pang J, Price S, Prior WW, Salphati L, Sideris S, Staben ST, Steinbacher S, Tsui V, Wallin J, Sampath D, Olivero AG.
The Rational Design of Selective Benzoxazepin Inhibitors of the α-Isoform of Phosphoinositide 3-Kinase Culminating in... Heffron TP, Heald RA, Ndubaku C, Wei B, Augistin M, Do S, Edgar K, Eigenbrot C, Friedman L, Gancia E, Jackson PS, Jones G, Kolesnikov A, Lee LB, Lesnick JD, Lewis C, McLean N, Mörtl M, Nonomiya J, Pang J, Price S, Prior WW, Salphati L, Sideris S, Staben ST, Steinbacher S, Tsui V, Wallin J, Sampath D, Olivero AG.: The Rational Design of Selective Benzoxazepin Inhibitors of the α-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J Med Chem, Volume 59 (3), 2016 J Med Chem 2016 26741947
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Hegedus C, Ozvegy-Laczka C, Apáti A, Magócsi M, Német K,...
Hegedus C, Ozvegy-Laczka C, Apáti A, Magócsi M, Német K, Orfi L, Kéri G, Katona M, Takáts Z, Váradi A, Szakács G, Sarkadi B.
Interaction of nilotinib, dasatinib and bosutinib with ABCB1 and ABCG2: implications for altered anti-cancer effects... Hegedus C, Ozvegy-Laczka C, Apáti A, Magócsi M, Német K, Orfi L, Kéri G, Katona M, Takáts Z, Váradi A, Szakács G, Sarkadi B.: Interaction of nilotinib, dasatinib and bosutinib with ABCB1 and ABCG2: implications for altered anti-cancer effects and pharmacological properties. Br J Pharmacol, Volume 158 (4), 2009 Br J Pharmacol 2009 19785662
Total substances: 1
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Heightman TD, Berdini V, Braithwaite H, Buck IM, Cassidy M,...
Heightman TD, Berdini V, Braithwaite H, Buck IM, Cassidy M, Castro J, Courtin A, Day JEH, East C, Fazal L, Graham B, Griffiths-Jones CM, Lyons JF, Martins V, Muench S, Munck JM, Norton D, O'Reilly M, Palmer N, Pathuri P, Reader M, Rees DC, Rich SJ, Richardson C, Saini H, Thompson NT, Wallis NG, Walton H, Wilsher NE, Woolford AJ, Cooke M, Cousin D, Onions S, Shannon J, Watts J, Murray CW.
Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic... Heightman TD, Berdini V, Braithwaite H, Buck IM, Cassidy M, Castro J, Courtin A, Day JEH, East C, Fazal L, Graham B, Griffiths-Jones CM, Lyons JF, Martins V, Muench S, Munck JM, Norton D, O'Reilly M, Palmer N, Pathuri P, Reader M, Rees DC, Rich SJ, Richardson C, Saini H, Thompson NT, Wallis NG, Walton H, Wilsher NE, Woolford AJ, Cooke M, Cousin D, Onions S, Shannon J, Watts J, Murray CW.: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J Med Chem, Volume 61 (11), 2018 J Med Chem 2018 29775310
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Heinrich T, Böttcher H, Gericke R, Bartoszyk GD, Anzali S,...
Heinrich T, Böttcher H, Gericke R, Bartoszyk GD, Anzali S, Seyfried CA, Greiner HE, Van Amsterdam C.
Synthesis and structure--activity relationship in a class of indolebutylpiperazines as dual 5-HT(1A) receptor agonists... Heinrich T, Böttcher H, Gericke R, Bartoszyk GD, Anzali S, Seyfried CA, Greiner HE, Van Amsterdam C.: Synthesis and structure--activity relationship in a class of indolebutylpiperazines as dual 5-HT(1A) receptor agonists and serotonin reuptake inhibitors. J Med Chem, Volume 47 (19), 2004 J Med Chem 2004 15341484
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Heinrich T, Seenisamy J, Becker F, Blume B, Bomke J, Dietz...
Heinrich T, Seenisamy J, Becker F, Blume B, Bomke J, Dietz M, Eckert U, Friese-Hamim M, Gunera J, Hansen K, Leuthner B, Musil D, Pfalzgraf J, Rohdich F, Siegl C, Spuck D, Wegener A, Zenke FT.
Identification of Methionine Aminopeptidase-2 (MetAP-2) Inhibitor M8891: A Clinical Compound for the Treatment... Heinrich T, Seenisamy J, Becker F, Blume B, Bomke J, Dietz M, Eckert U, Friese-Hamim M, Gunera J, Hansen K, Leuthner B, Musil D, Pfalzgraf J, Rohdich F, Siegl C, Spuck D, Wegener A, Zenke FT.: Identification of Methionine Aminopeptidase-2 (MetAP-2) Inhibitor M8891: A Clinical Compound for the Treatment of Cancer. J Med Chem, Volume 62 (24), 2019 J Med Chem 2019 31725285
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Heinrich T, Seenisamy J, Blume B, Bomke J, Calderini M,...
Heinrich T, Seenisamy J, Blume B, Bomke J, Calderini M, Eckert U, Friese-Hamim M, Kohl R, Lehmann M, Leuthner B, Musil D, Rohdich F, Zenke FT.
Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2)... Heinrich T, Seenisamy J, Blume B, Bomke J, Calderini M, Eckert U, Friese-Hamim M, Kohl R, Lehmann M, Leuthner B, Musil D, Rohdich F, Zenke FT.: Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors. J Med Chem, Volume 62 (10), 2019 J Med Chem 2019 30939017
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Helal CJ, Arnold E, Boyden T, Chang C, Chappie TA, Fisher...
Helal CJ, Arnold E, Boyden T, Chang C, Chappie TA, Fisher E, Hajos M, Harms JF, Hoffman WE, Humphrey JM, Pandit J, Kang Z, Kleiman RJ, Kormos BL, Lee CW, Lu J, Maklad N, McDowell L, McGinnis D, O'Connor RE, O'Donnell CJ, Ogden A, Piotrowski M, Schmidt CJ, Seymour PA, Ueno H, Vansell N, Verhoest PR, Yang EX.
Identification of a Potent, Highly Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor Clinical Candidate. Helal CJ, Arnold E, Boyden T, Chang C, Chappie TA, Fisher E, Hajos M, Harms JF, Hoffman WE, Humphrey JM, Pandit J, Kang Z, Kleiman RJ, Kormos BL, Lee CW, Lu J, Maklad N, McDowell L, McGinnis D, O'Connor RE, O'Donnell CJ, Ogden A, Piotrowski M, Schmidt CJ, Seymour PA, Ueno H, Vansell N, Verhoest PR, Yang EX.: Identification of a Potent, Highly Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor Clinical Candidate. J Med Chem, Volume 61 (3), 2018 J Med Chem 2018 29293004
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Helal CJ, Kang Z, Hou X, Pandit J, Chappie TA, Humphrey JM,...
Helal CJ, Kang Z, Hou X, Pandit J, Chappie TA, Humphrey JM, Marr ES, Fennell KF, Chenard LK, Fox C, Schmidt CJ, Williams RD, Chapin DS, Siuciak J, Lebel L, Menniti F, Cianfrogna J, Fonseca KR, Nelson FR, O'Connor R, MacDougall M, McDowell L, Liras S.
Use of structure-based design to discover a potent, selective, in vivo active phosphodiesterase 10A inhibitor lead... Helal CJ, Kang Z, Hou X, Pandit J, Chappie TA, Humphrey JM, Marr ES, Fennell KF, Chenard LK, Fox C, Schmidt CJ, Williams RD, Chapin DS, Siuciak J, Lebel L, Menniti F, Cianfrogna J, Fonseca KR, Nelson FR, O'Connor R, MacDougall M, McDowell L, Liras S.: Use of structure-based design to discover a potent, selective, in vivo active phosphodiesterase 10A inhibitor lead series for the treatment of schizophrenia. J Med Chem, Volume 54 (13), 2011 J Med Chem 2011 21650160
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Helal CJ, Kang Z, Lucas JC, Gant T, Ahlijanian MK,...
Helal CJ, Kang Z, Lucas JC, Gant T, Ahlijanian MK, Schachter JB, Richter KE, Cook JM, Menniti FS, Kelly K, Mente S, Pandit J, Hosea N.
Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of... Helal CJ, Kang Z, Lucas JC, Gant T, Ahlijanian MK, Schachter JB, Richter KE, Cook JM, Menniti FS, Kelly K, Mente S, Pandit J, Hosea N.: Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 19 (19), 2009 Bioorg Med Chem Lett 2009 19700321
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Henderson AJ, Guzzo PR, Ghosh A, Kaur J, Koo JM, Nacro K,...
Henderson AJ, Guzzo PR, Ghosh A, Kaur J, Koo JM, Nacro K, Panduga S, Pathak R, Shimpukade B, Tan V, Xiang K, Wierschke JD, Isherwood ML.
Epiminocyclohepta[b]indole analogs as 5-HT6 antagonists. Henderson AJ, Guzzo PR, Ghosh A, Kaur J, Koo JM, Nacro K, Panduga S, Pathak R, Shimpukade B, Tan V, Xiang K, Wierschke JD, Isherwood ML.: Epiminocyclohepta[b]indole analogs as 5-HT6 antagonists. Bioorg Med Chem Lett, Volume 22 (4), 2012 Bioorg Med Chem Lett 2012 22290076
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Henderson EA, Alber DG, Baxter RC, Bithell SK, Budworth J,...
Henderson EA, Alber DG, Baxter RC, Bithell SK, Budworth J, Carter MC, Chubb A, Cockerill GS, Dowdell VC, Fraser IJ, Harris RA, Keegan SJ, Kelsey RD, Lumley JA, Stables JN, Weerasekera N, Wilson LJ, Powell KL.
1,4-benzodiazepines as inhibitors of respiratory syncytial virus. The identification of a clinical candidate. Henderson EA, Alber DG, Baxter RC, Bithell SK, Budworth J, Carter MC, Chubb A, Cockerill GS, Dowdell VC, Fraser IJ, Harris RA, Keegan SJ, Kelsey RD, Lumley JA, Stables JN, Weerasekera N, Wilson LJ, Powell KL.: 1,4-benzodiazepines as inhibitors of respiratory syncytial virus. The identification of a clinical candidate. J Med Chem, Volume 50 (7), 2007 J Med Chem 2007 17341059
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Henderson JA, Bilimoria D, Bubenik M, Cadilhac C, Cottrell...
Henderson JA, Bilimoria D, Bubenik M, Cadilhac C, Cottrell KM, Dietrich E, Denis F, Ewing N, Falardeau G, Giroux S, Grey R, L'Heureux L, Liu B, Mani N, Morris M, Nicolas O, Pereira OZ, Poisson C, Govinda Rao B, Reddy TJ, Selliah S, Shawgo RS, Vaillancourt L, Wang J, Yannopoulos CG, Chauret N, Berlioz-Seux F, Chan LC, Das SK, Grillot AL, Bennani YL, Maxwell JP.
Benzimidazole-containing HCV NS5A inhibitors: effect of 4-substituted pyrrolidines in balancing genotype 1a and 1b... Henderson JA, Bilimoria D, Bubenik M, Cadilhac C, Cottrell KM, Dietrich E, Denis F, Ewing N, Falardeau G, Giroux S, Grey R, L'Heureux L, Liu B, Mani N, Morris M, Nicolas O, Pereira OZ, Poisson C, Govinda Rao B, Reddy TJ, Selliah S, Shawgo RS, Vaillancourt L, Wang J, Yannopoulos CG, Chauret N, Berlioz-Seux F, Chan LC, Das SK, Grillot AL, Bennani YL, Maxwell JP.: Benzimidazole-containing HCV NS5A inhibitors: effect of 4-substituted pyrrolidines in balancing genotype 1a and 1b potency. Bioorg Med Chem Lett, Volume 25 (4), 2015 Bioorg Med Chem Lett 2015 25577041
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Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE,...
Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.
Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes... Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.: Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009 Bioorg Med Chem Lett 2009 19447623
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Hendrickx R, Johansson JG, Lohmann C, Jenvert RM, Blomgren...
Hendrickx R, Johansson JG, Lohmann C, Jenvert RM, Blomgren A, Börjesson L, Gustavsson L.
Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic... Hendrickx R, Johansson JG, Lohmann C, Jenvert RM, Blomgren A, Börjesson L, Gustavsson L.: Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2. J Med Chem, Volume 56 (18), 2013 J Med Chem 2013 23984907
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Hennessy EJ, Grewal G, Byth K, Kamhi VM, Li D, Lyne P, Oza...
Hennessy EJ, Grewal G, Byth K, Kamhi VM, Li D, Lyne P, Oza V, Ronco L, Rooney MT, Saeh JC, Su Q.
Discovery of heterocyclic sulfonamides as sphingosine 1-phosphate receptor 1 (S1P1) antagonists. Hennessy EJ, Grewal G, Byth K, Kamhi VM, Li D, Lyne P, Oza V, Ronco L, Rooney MT, Saeh JC, Su Q.: Discovery of heterocyclic sulfonamides as sphingosine 1-phosphate receptor 1 (S1P1) antagonists. Bioorg Med Chem Lett, Volume 25 (10), 2015 Bioorg Med Chem Lett 2015 25890801
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Henry JR, Kaufman MD, Peng SB, Ahn YM, Caldwell TM, Vogeti...
Henry JR, Kaufman MD, Peng SB, Ahn YM, Caldwell TM, Vogeti L, Telikepalli H, Lu WP, Hood MM, Rutkoski TJ, Smith BD, Vogeti S, Miller D, Wise SC, Chun L, Zhang X, Zhang Y, Kays L, Hipskind PA, Wrobleski AD, Lobb KL, Clay JM, Cohen JD, Walgren JL, McCann D, Patel P, Clawson DK, Guo S, Manglicmot D, Groshong C, Logan C, Starling JJ, Flynn DL.
Discovery of... Henry JR, Kaufman MD, Peng SB, Ahn YM, Caldwell TM, Vogeti L, Telikepalli H, Lu WP, Hood MM, Rutkoski TJ, Smith BD, Vogeti S, Miller D, Wise SC, Chun L, Zhang X, Zhang Y, Kays L, Hipskind PA, Wrobleski AD, Lobb KL, Clay JM, Cohen JD, Walgren JL, McCann D, Patel P, Clawson DK, Guo S, Manglicmot D, Groshong C, Logan C, Starling JJ, Flynn DL.: Discovery of 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea (LY3009120) as a pan-RAF inhibitor with minimal paradoxical activation and activity against BRAF or RAS mutant tumor cells. J Med Chem, Volume 58 (10), 2015 J Med Chem 2015 25965804
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Henry SP, Liosi ME, Ippolito JA, Cutrona KJ, Krimmer SG,...
Henry SP, Liosi ME, Ippolito JA, Cutrona KJ, Krimmer SG, Newton AS, Schlessinger J, Jorgensen WL.
Conversion of a False Virtual Screen Hit into Selective JAK2 JH2 Domain Binders Using Convergent Design Strategies. Henry SP, Liosi ME, Ippolito JA, Cutrona KJ, Krimmer SG, Newton AS, Schlessinger J, Jorgensen WL.: Conversion of a False Virtual Screen Hit into Selective JAK2 JH2 Domain Binders Using Convergent Design Strategies. ACS Med Chem Lett, Volume 13 (5), 2022 ACS Med Chem Lett 2022 35586418
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Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L,...
Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.
The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for... Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018 Eur J Med Chem 2018 29533874
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Herberich B, Cao GQ, Chakrabarti PP, Falsey JR, Pettus L,...
Herberich B, Cao GQ, Chakrabarti PP, Falsey JR, Pettus L, Rzasa RM, Reed AB, Reichelt A, Sham K, Thaman M, Wurz RP, Xu S, Zhang D, Hsieh F, Lee MR, Syed R, Li V, Grosfeld D, Plant MH, Henkle B, Sherman L, Middleton S, Wong LM, Tasker AS.
Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. Herberich B, Cao GQ, Chakrabarti PP, Falsey JR, Pettus L, Rzasa RM, Reed AB, Reichelt A, Sham K, Thaman M, Wurz RP, Xu S, Zhang D, Hsieh F, Lee MR, Syed R, Li V, Grosfeld D, Plant MH, Henkle B, Sherman L, Middleton S, Wong LM, Tasker AS.: Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J Med Chem, Volume 51 (20), 2008 J Med Chem 2008 18817365
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Hernández Prada JA, Ferreira AJ, Katovich MJ, Shenoy V, Qi...
Hernández Prada JA, Ferreira AJ, Katovich MJ, Shenoy V, Qi Y, Santos RA, Castellano RK, Lampkins AJ, Gubala V, Ostrov DA, Raizada MK.
Structure-based identification of small-molecule angiotensin-converting enzyme 2 activators as novel antihypertensive... Hernández Prada JA, Ferreira AJ, Katovich MJ, Shenoy V, Qi Y, Santos RA, Castellano RK, Lampkins AJ, Gubala V, Ostrov DA, Raizada MK.: Structure-based identification of small-molecule angiotensin-converting enzyme 2 activators as novel antihypertensive agents. Hypertension, Volume 51 (5), 2008 Hypertension 2008 18391097
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Herrera-Arozamena C, Estrada-Valencia M, López-Caballero...
Herrera-Arozamena C, Estrada-Valencia M, López-Caballero P, Pérez C, Morales-García JA, Pérez-Castillo A, Sastre ED, Fernández-Mendívil C, Duarte P, Michalska P, Lombardía J, Senar S, León R, López MG, Rodríguez-Franco MI.
Resveratrol-Based MTDLs to Stimulate Defensive and Regenerative Pathways and Block Early Events in Neurodegenerative... Herrera-Arozamena C, Estrada-Valencia M, López-Caballero P, Pérez C, Morales-García JA, Pérez-Castillo A, Sastre ED, Fernández-Mendívil C, Duarte P, Michalska P, Lombardía J, Senar S, León R, López MG, Rodríguez-Franco MI.: Resveratrol-Based MTDLs to Stimulate Defensive and Regenerative Pathways and Block Early Events in Neurodegenerative Cascades. J Med Chem, Volume 65 (6), 2022 J Med Chem 2022 35245051
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Herrington J, Solly K, Ratliff KS, Li N, Zhou YP, Howard A,...
Herrington J, Solly K, Ratliff KS, Li N, Zhou YP, Howard A, Kiss L, Garcia ML, McManus OB, Deng Q, Desai R, Xiong Y, Kaczorowski GJ.
Identification of novel and selective Kv2 channel inhibitors. Herrington J, Solly K, Ratliff KS, Li N, Zhou YP, Howard A, Kiss L, Garcia ML, McManus OB, Deng Q, Desai R, Xiong Y, Kaczorowski GJ.: Identification of novel and selective Kv2 channel inhibitors. Mol Pharmacol, Volume 80 (6), 2011 Mol Pharmacol 2011 21948463
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo...
Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.
Imidazole-derived agonists for the neurotensin 1 receptor. Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014 Bioorg Med Chem Lett 2014 24332089
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Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A,...
Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A, Halbfinger E, Lapidot T, Winkler I, Gabinet Y, Faier A, Yarden D, Xiang Z, Portillo FP, Haskell-Luevano C, Gilon C, Hoffman A.
Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating... Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A, Halbfinger E, Lapidot T, Winkler I, Gabinet Y, Faier A, Yarden D, Xiang Z, Portillo FP, Haskell-Luevano C, Gilon C, Hoffman A.: Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating obesity. J Med Chem, Volume 51 (4), 2008 J Med Chem 2008 18220330
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Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B,...
Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.
Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on... Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007 J Med Chem 2007 17983214
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Hewawasam P, Tu Y, Gao M, Hanumegowda U, Knipe J, Lemm JA,...
Hewawasam P, Tu Y, Gao M, Hanumegowda U, Knipe J, Lemm JA, Parker DD, Rigat KL, Roberts SB, Meanwell NA, Kadow JF.
Discovery and preclinical evaluation of potent, orally bioavailable, metabolically stable cyclopropylindolobenzazepine... Hewawasam P, Tu Y, Gao M, Hanumegowda U, Knipe J, Lemm JA, Parker DD, Rigat KL, Roberts SB, Meanwell NA, Kadow JF.: Discovery and preclinical evaluation of potent, orally bioavailable, metabolically stable cyclopropylindolobenzazepine acylsulfonamides as thumb site 1 inhibitors of the hepatitis c virus NS5B RNA-dependent, RNA polymerase. Bioorg Med Chem Lett, Volume 26 (3), 2016 Bioorg Med Chem Lett 2016 26747393
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Hickey JL, Zaretsky S, St Denis MA, Kumar Chakka S, Morshed...
Hickey JL, Zaretsky S, St Denis MA, Kumar Chakka S, Morshed MM, Scully CC, Roughton AL, Yudin AK.
Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds. Hickey JL, Zaretsky S, St Denis MA, Kumar Chakka S, Morshed MM, Scully CC, Roughton AL, Yudin AK.: Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds. J Med Chem, Volume 59 (11), 2016 J Med Chem 2016 27120576
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Hill WG, Rivers RL, Zeidel ML.
Hill WG, Rivers RL, Zeidel ML.
Role of leaflet asymmetry in the permeability of model biological membranes to protons, solutes, and gases. Hill WG, Rivers RL, Zeidel ML.: Role of leaflet asymmetry in the permeability of model biological membranes to protons, solutes, and gases. J Gen Physiol, Volume 114 (3), 405-414, 1999 J Gen Physiol 1999 10469730
Total substances: 5
Total passive interactions: 5
Total active interactions: 0
Hillisch A, Gericke KM, Allerheiligen S, Roehrig S,...
Hillisch A, Gericke KM, Allerheiligen S, Roehrig S, Schaefer M, Tersteegen A, Schulz S, Lienau P, Gnoth M, Puetter V, Hillig RC, Heitmeier S.
Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral... Hillisch A, Gericke KM, Allerheiligen S, Roehrig S, Schaefer M, Tersteegen A, Schulz S, Lienau P, Gnoth M, Puetter V, Hillig RC, Heitmeier S.: Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J Med Chem, Volume 63 (21), 2020 J Med Chem 2020 33108181
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Hilpert H, Mauser H, Humm R, Anselm L, Kuehne H, Hartmann...
Hilpert H, Mauser H, Humm R, Anselm L, Kuehne H, Hartmann G, Gruener S, Banner DW, Benz J, Gsell B, Kuglstatter A, Stihle M, Thoma R, Sanchez RA, Iding H, Wirz B, Haap W.
Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds. Hilpert H, Mauser H, Humm R, Anselm L, Kuehne H, Hartmann G, Gruener S, Banner DW, Benz J, Gsell B, Kuglstatter A, Stihle M, Thoma R, Sanchez RA, Iding H, Wirz B, Haap W.: Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds. J Med Chem, Volume 56 (23), 2013 J Med Chem 2013 24224654
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Hirabayashi A, Mukaiyama H, Kobayashi H, Shiohara H,...
Hirabayashi A, Mukaiyama H, Kobayashi H, Shiohara H, Nakayama S, Ozawa M, Tsuji E, Miyazawa K, Misawa K, Ohnota H, Isaji M.
Structure-activity relationship studies of imidazo[1,2-c]pyrimidine derivatives as potent and orally effective Syk... Hirabayashi A, Mukaiyama H, Kobayashi H, Shiohara H, Nakayama S, Ozawa M, Tsuji E, Miyazawa K, Misawa K, Ohnota H, Isaji M.: Structure-activity relationship studies of imidazo[1,2-c]pyrimidine derivatives as potent and orally effective Syk family kinases inhibitors. Bioorg Med Chem, Volume 16 (20), 2008 Bioorg Med Chem 2008 18823784
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Hirai K, Yamashita H, Tomoshige S, Mishima Y, Niwa T,...
Hirai K, Yamashita H, Tomoshige S, Mishima Y, Niwa T, Ohgane K, Ishii M, Kanamitsu K, Ikemi Y, Nakagawa S, Taguchi H, Sato S, Hashimoto Y, Ishikawa M.
Conversion of a PROTAC Mutant Huntingtin Degrader into Small-Molecule Hydrophobic Tags Focusing on Drug-like Properties. Hirai K, Yamashita H, Tomoshige S, Mishima Y, Niwa T, Ohgane K, Ishii M, Kanamitsu K, Ikemi Y, Nakagawa S, Taguchi H, Sato S, Hashimoto Y, Ishikawa M.: Conversion of a PROTAC Mutant Huntingtin Degrader into Small-Molecule Hydrophobic Tags Focusing on Drug-like Properties. ACS Med Chem Lett, Volume 13 (3), 2022 ACS Med Chem Lett 2022 35300080
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Hirano M, Maeda K, Shitara Y, Sugiyama Y.
Hirano M, Maeda K, Shitara Y, Sugiyama Y.
Drug-drug interaction between pitavastatin and various drugs via OATP1B1. Hirano M, Maeda K, Shitara Y, Sugiyama Y.: Drug-drug interaction between pitavastatin and various drugs via OATP1B1. Drug Metab Dispos, Volume 34 (7), 2006 Drug Metab Dispos 2006 16595711
Total substances: 29
Total passive interactions: 0
Total active interactions: 29
Hirashima S, Suzuki T, Ishida T, Noji S, Yata S, Ando I,...
Hirashima S, Suzuki T, Ishida T, Noji S, Yata S, Ando I, Komatsu M, Ikeda S, Hashimoto H.
Benzimidazole derivatives bearing substituted biphenyls as hepatitis C virus NS5B RNA-dependent RNA polymerase... Hirashima S, Suzuki T, Ishida T, Noji S, Yata S, Ando I, Komatsu M, Ikeda S, Hashimoto H.: Benzimidazole derivatives bearing substituted biphenyls as hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitors: structure-activity relationship studies and identification of a potent and highly selective inhibitor JTK-109. J Med Chem, Volume 49 (15), 2006 J Med Chem 2006 16854079
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Hirayama F, Koshio H, Ishihara T, Hachiya S, Sugasawa K,...
Hirayama F, Koshio H, Ishihara T, Hachiya S, Sugasawa K, Koga Y, Seki N, Shiraki R, Shigenaga T, Iwatsuki Y, Moritani Y, Mori K, Kadokura T, Kawasaki T, Matsumoto Y, Sakamoto S, Tsukamoto S.
Discovery of N-[2-hydroxy-6-(4-methoxybenzamido)phenyl]-4- (4-methyl-1,4-diazepan-1-yl)benzamide (darexaban, YM150) as... Hirayama F, Koshio H, Ishihara T, Hachiya S, Sugasawa K, Koga Y, Seki N, Shiraki R, Shigenaga T, Iwatsuki Y, Moritani Y, Mori K, Kadokura T, Kawasaki T, Matsumoto Y, Sakamoto S, Tsukamoto S.: Discovery of N-[2-hydroxy-6-(4-methoxybenzamido)phenyl]-4- (4-methyl-1,4-diazepan-1-yl)benzamide (darexaban, YM150) as a potent and orally available factor Xa inhibitor. J Med Chem, Volume 54 (23), 2011 J Med Chem 2011 21995444
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Hirayama T, Okaniwa M, Imada T, Ohashi A, Ohori M, Iwai K,...
Hirayama T, Okaniwa M, Imada T, Ohashi A, Ohori M, Iwai K, Mori K, Kawamoto T, Yokota A, Tanaka T, Ishikawa T.
Synthetic studies of centromere-associated protein-E (CENP-E) inhibitors: 1.Exploration of fused bicyclic core... Hirayama T, Okaniwa M, Imada T, Ohashi A, Ohori M, Iwai K, Mori K, Kawamoto T, Yokota A, Tanaka T, Ishikawa T.: Synthetic studies of centromere-associated protein-E (CENP-E) inhibitors: 1.Exploration of fused bicyclic core scaffolds using electrostatic potential map. Bioorg Med Chem, Volume 21 (17), 2013 Bioorg Med Chem 2013 23816042
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Hirose W, Kato Y, Natsutani I, Takata M, Kitaichi M, Imai...
Hirose W, Kato Y, Natsutani I, Takata M, Kitaichi M, Imai S, Hayashi S, Arai Y, Hoshino K, Yoshida K.
Synthesis and optimization of 4,5,6,7-tetrahydrooxazolo[4,5-c]pyridines as potent and orally-active metabotropic... Hirose W, Kato Y, Natsutani I, Takata M, Kitaichi M, Imai S, Hayashi S, Arai Y, Hoshino K, Yoshida K.: Synthesis and optimization of 4,5,6,7-tetrahydrooxazolo[4,5-c]pyridines as potent and orally-active metabotropic glutamate receptor 5 negative allosteric modulators. Bioorg Med Chem Lett, Volume 27 (18), 2017 Bioorg Med Chem Lett 2017 28838696
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Hirose W, Kato Y, Yamamoto T, Kassai M, Takata M, Hayashi...
Hirose W, Kato Y, Yamamoto T, Kassai M, Takata M, Hayashi S, Arai Y, Imai S, Yoshida K.
Synthesis, structure-activity relationships and biological evaluation of 4,5,6,7-tetrahydropyrazolopyrazines as... Hirose W, Kato Y, Yamamoto T, Kassai M, Takata M, Hayashi S, Arai Y, Imai S, Yoshida K.: Synthesis, structure-activity relationships and biological evaluation of 4,5,6,7-tetrahydropyrazolopyrazines as metabotropic glutamate receptor 5 negative allosteric modulators. Bioorg Med Chem Lett, Volume 26 (16), 2016 Bioorg Med Chem Lett 2016 27432763
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Hirsh AJ, Molino BF, Zhang J, Astakhova N, Geiss WB,...
Hirsh AJ, Molino BF, Zhang J, Astakhova N, Geiss WB, Sargent BJ, Swenson BD, Usyatinsky A, Wyle MJ, Boucher RC, Smith RT, Zamurs A, Johnson MR.
Design, synthesis, and structure-activity relationships of novel 2-substituted pyrazinoylguanidine epithelial sodium... Hirsh AJ, Molino BF, Zhang J, Astakhova N, Geiss WB, Sargent BJ, Swenson BD, Usyatinsky A, Wyle MJ, Boucher RC, Smith RT, Zamurs A, Johnson MR.: Design, synthesis, and structure-activity relationships of novel 2-substituted pyrazinoylguanidine epithelial sodium channel blockers: drugs for cystic fibrosis and chronic bronchitis. J Med Chem, Volume 49 (14), 2006 J Med Chem 2006 16821771
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Hitchcock SA.
Hitchcock SA.
Structural modifications that alter the P-glycoprotein efflux properties of compounds. Hitchcock SA.: Structural modifications that alter the P-glycoprotein efflux properties of compounds. J Med Chem, Volume 55 (11), 2012 J Med Chem 2012 22506484
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Ho KK, Parnell KM, Yuan Y, Xu Y, Kultgen SG, Hamblin S,...
Ho KK, Parnell KM, Yuan Y, Xu Y, Kultgen SG, Hamblin S, Hendrickson TF, Luo B, Foulks JM, McCullar MV, Kanner SB.
Discovery of 4-phenyl-2-phenylaminopyridine based TNIK inhibitors. Ho KK, Parnell KM, Yuan Y, Xu Y, Kultgen SG, Hamblin S, Hendrickson TF, Luo B, Foulks JM, McCullar MV, Kanner SB.: Discovery of 4-phenyl-2-phenylaminopyridine based TNIK inhibitors. Bioorg Med Chem Lett, Volume 23 (2), 2013 Bioorg Med Chem Lett 2013 23232060
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Ho RH, Tirona RG, Leake BF, Glaeser H, Lee W, Lemke CJ,...
Ho RH, Tirona RG, Leake BF, Glaeser H, Lee W, Lemke CJ, Wang Y, Kim RB.
Drug and bile acid transporters in rosuvastatin hepatic uptake: function, expression, and pharmacogenetics. Ho RH, Tirona RG, Leake BF, Glaeser H, Lee W, Lemke CJ, Wang Y, Kim RB.: Drug and bile acid transporters in rosuvastatin hepatic uptake: function, expression, and pharmacogenetics. Gastroenterology, Volume 130 (6), 2006 Gastroenterology 2006 16697742
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Hoang HT, Haubitz T, Kumke MU.
Hoang HT, Haubitz T, Kumke MU.
Photophysics of "Floppy" Dyads as Potential Biomembrane Probes. Hoang HT, Haubitz T, Kumke MU.: Photophysics of "Floppy" Dyads as Potential Biomembrane Probes. J Fluoresc, Volume 28 (5), 1225-1237, 2018 J Fluoresc 2018 30145784
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Hoang VH, Tran PT, Cui M, Ngo VT, Ann J, Park J, Lee J,...
Hoang VH, Tran PT, Cui M, Ngo VT, Ann J, Park J, Lee J, Choi K, Cho H, Kim H, Ha HJ, Hong HS, Choi S, Kim YH, Lee J.
Discovery of Potent Human Glutaminyl Cyclase Inhibitors as Anti-Alzheimer's Agents Based on Rational Design. Hoang VH, Tran PT, Cui M, Ngo VT, Ann J, Park J, Lee J, Choi K, Cho H, Kim H, Ha HJ, Hong HS, Choi S, Kim YH, Lee J.: Discovery of Potent Human Glutaminyl Cyclase Inhibitors as Anti-Alzheimer's Agents Based on Rational Design. J Med Chem, Volume 60 (6), 2017 J Med Chem 2017 28234463
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Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P,...
Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.
Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018 J Med Chem 2018 30384606
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Hochegger P, Faist J, Seebacher W, Saf R, Mäser P, Kaiser...
Hochegger P, Faist J, Seebacher W, Saf R, Mäser P, Kaiser M, Weis R.
Synthesis and structure-activity relationships for new 6-fluoroquinoline derivatives with antiplasmodial activity. Hochegger P, Faist J, Seebacher W, Saf R, Mäser P, Kaiser M, Weis R.: Synthesis and structure-activity relationships for new 6-fluoroquinoline derivatives with antiplasmodial activity. Bioorg Med Chem, Volume 27 (10), 2019 Bioorg Med Chem 2019 30962114
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Hodgetts KJ, Blum CA, Caldwell T, Bakthavatchalam R, Zheng...
Hodgetts KJ, Blum CA, Caldwell T, Bakthavatchalam R, Zheng X, Capitosti S, Krause JE, Cortright D, Crandall M, Murphy BA, Boyce S, Brian Jones A, Chenard BL.
Pyrido[2,3-b]pyrazines, discovery of TRPV1 antagonists with reduced potential for the formation of reactive metabolites. Hodgetts KJ, Blum CA, Caldwell T, Bakthavatchalam R, Zheng X, Capitosti S, Krause JE, Cortright D, Crandall M, Murphy BA, Boyce S, Brian Jones A, Chenard BL.: Pyrido[2,3-b]pyrazines, discovery of TRPV1 antagonists with reduced potential for the formation of reactive metabolites. Bioorg Med Chem Lett, Volume 20 (15), 2010 Bioorg Med Chem Lett 2010 20615696
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Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ,...
Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.
Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with... Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016 Bioorg Med Chem Lett 2016 27816514
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Hoegenauer K, Soldermann N, Stauffer F, Furet P, Graveleau...
Hoegenauer K, Soldermann N, Stauffer F, Furet P, Graveleau N, Smith AB, Hebach C, Hollingworth GJ, Lewis I, Gutmann S, Rummel G, Knapp M, Wolf RM, Blanz J, Feifel R, Burkhart C, Zécri F.
Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors. Hoegenauer K, Soldermann N, Stauffer F, Furet P, Graveleau N, Smith AB, Hebach C, Hollingworth GJ, Lewis I, Gutmann S, Rummel G, Knapp M, Wolf RM, Blanz J, Feifel R, Burkhart C, Zécri F.: Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors. ACS Med Chem Lett, Volume 7 (8), 2016 ACS Med Chem Lett 2016 27563400
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Hoegenauer K, Soldermann N, Zécri F, Strang RS, Graveleau...
Hoegenauer K, Soldermann N, Zécri F, Strang RS, Graveleau N, Wolf RM, Cooke NG, Smith AB, Hollingworth GJ, Blanz J, Gutmann S, Rummel G, Littlewood-Evans A, Burkhart C.
Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. Hoegenauer K, Soldermann N, Zécri F, Strang RS, Graveleau N, Wolf RM, Cooke NG, Smith AB, Hollingworth GJ, Blanz J, Gutmann S, Rummel G, Littlewood-Evans A, Burkhart C.: Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett, Volume 8 (9), 2017 ACS Med Chem Lett 2017 28947947
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Hoepping A, Johnson KM, George C, Flippen-Anderson J,...
Hoepping A, Johnson KM, George C, Flippen-Anderson J, Kozikowski AP.
Novel conformationally constrained tropane analogues by 6-endo-trig radical cyclization and stille coupling - switch of... Hoepping A, Johnson KM, George C, Flippen-Anderson J, Kozikowski AP.: Novel conformationally constrained tropane analogues by 6-endo-trig radical cyclization and stille coupling - switch of activity toward the serotonin and/or norepinephrine transporter. J Med Chem, Volume 43 (10), 2000 J Med Chem 2000 10821718
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Hoffman A, Qadri B, Frant J, Katz Y, Bhusare SR, Breuer E,...
Hoffman A, Qadri B, Frant J, Katz Y, Bhusare SR, Breuer E, Hadar R, Reich R.
Carbamoylphosphonate matrix metalloproteinase inhibitors 6: cis-2-aminocyclohexylcarbamoylphosphonic acid, a novel... Hoffman A, Qadri B, Frant J, Katz Y, Bhusare SR, Breuer E, Hadar R, Reich R.: Carbamoylphosphonate matrix metalloproteinase inhibitors 6: cis-2-aminocyclohexylcarbamoylphosphonic acid, a novel orally active antimetastatic matrix metalloproteinase-2 selective inhibitor--synthesis and pharmacodynamic and pharmacokinetic analysis. J Med Chem, Volume 51 (5), 2008 J Med Chem 2008 18257543
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Hoffmann G, Funk C, Fowler S, Otteneder MB, Breidenbach A,...
Hoffmann G, Funk C, Fowler S, Otteneder MB, Breidenbach A, Rayner CR, Chu T, Prinssen EP.
Nonclinical pharmacokinetics of oseltamivir and oseltamivir carboxylate in the central nervous system. Hoffmann G, Funk C, Fowler S, Otteneder MB, Breidenbach A, Rayner CR, Chu T, Prinssen EP.: Nonclinical pharmacokinetics of oseltamivir and oseltamivir carboxylate in the central nervous system. Antimicrob Agents Chemother, Volume 53 (11), 2009 Antimicrob Agents Chemother 2009 19721074
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Hollinshead SP, Astles PC, Chambers MG, Johnson MP, Palmer...
Hollinshead SP, Astles PC, Chambers MG, Johnson MP, Palmer J, Tidwell MW.
Discovery and optimization of novel purines as potent and selective CB2 agonists. Hollinshead SP, Astles PC, Chambers MG, Johnson MP, Palmer J, Tidwell MW.: Discovery and optimization of novel purines as potent and selective CB2 agonists. Bioorg Med Chem Lett, Volume 22 (15), 2012 Bioorg Med Chem Lett 2012 22765893
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Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T,...
Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.
Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing... Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem, Volume 58 (16), 2015 J Med Chem 2015 26181851
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Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel...
Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel ML, Neitz RJ, Fang L, Brogley L, Wu J, Konradi AW, Sham HL, Tóth G, Pan H, Yao N, Artis DR, Quinn K, Sauer JM, Powell K, Ren Z, Bard F, Yednock TA, Griswold-Prenner I.
Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel ML, Neitz RJ, Fang L, Brogley L, Wu J, Konradi AW, Sham HL, Tóth G, Pan H, Yao N, Artis DR, Quinn K, Sauer JM, Powell K, Ren Z, Bard F, Yednock TA, Griswold-Prenner I.: Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett, Volume 20 (24), 2010 Bioorg Med Chem Lett 2010 21071223
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Hombrouck A, Van Remoortel B, Michiels M, Noppe W, Christ...
Hombrouck A, Van Remoortel B, Michiels M, Noppe W, Christ F, Eneroth A, Sahlberg BL, Benkestock K, Vrang L, Johansson NG, Barreca ML, De Luca L, Ferro S, Chimirri A, Debyser Z, Witvrouw M.
Preclinical evaluation of 1H-benzylindole derivatives as novel human immunodeficiency virus integrase strand transfer... Hombrouck A, Van Remoortel B, Michiels M, Noppe W, Christ F, Eneroth A, Sahlberg BL, Benkestock K, Vrang L, Johansson NG, Barreca ML, De Luca L, Ferro S, Chimirri A, Debyser Z, Witvrouw M.: Preclinical evaluation of 1H-benzylindole derivatives as novel human immunodeficiency virus integrase strand transfer inhibitors. Antimicrob Agents Chemother, Volume 52 (8), 2008 Antimicrob Agents Chemother 2008 18541726
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Hondo T, Warizaya M, Niimi T, Namatame I, Yamaguchi T,...
Hondo T, Warizaya M, Niimi T, Namatame I, Yamaguchi T, Nakanishi K, Hamajima T, Harada K, Sakashita H, Matsumoto Y, Orita M, Takeuchi M.
4-Hydroxypyridazin-3(2H)-one derivatives as novel D-amino acid oxidase inhibitors. Hondo T, Warizaya M, Niimi T, Namatame I, Yamaguchi T, Nakanishi K, Hamajima T, Harada K, Sakashita H, Matsumoto Y, Orita M, Takeuchi M.: 4-Hydroxypyridazin-3(2H)-one derivatives as novel D-amino acid oxidase inhibitors. J Med Chem, Volume 56 (9), 2013 J Med Chem 2013 23566269
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Hong S, Kim J, Yun SM, Lee H, Park Y, Hong SS, Hong S.
Hong S, Kim J, Yun SM, Lee H, Park Y, Hong SS, Hong S.
Discovery of new benzothiazole-based inhibitors of breakpoint cluster region-Abelson kinase including the T315I mutant. Hong S, Kim J, Yun SM, Lee H, Park Y, Hong SS, Hong S.: Discovery of new benzothiazole-based inhibitors of breakpoint cluster region-Abelson kinase including the T315I mutant. J Med Chem, Volume 56 (9), 2013 J Med Chem 2013 23600806
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Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD,...
Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.
Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011 J Med Chem 2011 21688779
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Hong WD, Gibbons PD, Leung SC, Amewu R, Stocks PA,...
Hong WD, Gibbons PD, Leung SC, Amewu R, Stocks PA, Stachulski A, Horta P, Cristiano MLS, Shone AE, Moss D, Ardrey A, Sharma R, Warman AJ, Bedingfield PTP, Fisher NE, Aljayyoussi G, Mead S, Caws M, Berry NG, Ward SA, Biagini GA, O'Neill PM, Nixon GL.
Rational Design, Synthesis, and Biological Evaluation of Heterocyclic Quinolones Targeting the Respiratory Chain of... Hong WD, Gibbons PD, Leung SC, Amewu R, Stocks PA, Stachulski A, Horta P, Cristiano MLS, Shone AE, Moss D, Ardrey A, Sharma R, Warman AJ, Bedingfield PTP, Fisher NE, Aljayyoussi G, Mead S, Caws M, Berry NG, Ward SA, Biagini GA, O'Neill PM, Nixon GL.: Rational Design, Synthesis, and Biological Evaluation of Heterocyclic Quinolones Targeting the Respiratory Chain of Mycobacterium tuberculosis. J Med Chem, Volume 60 (9), 2017 J Med Chem 2017 28304162
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Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.
Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.
Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase... Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014 Bioorg Med Chem Lett 2014 24894560
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Hopkins BT, Bame E, Bajrami B, Black C, Bohnert T, Boiselle...
Hopkins BT, Bame E, Bajrami B, Black C, Bohnert T, Boiselle C, Burdette D, Burns JC, Delva L, Donaldson D, Grater R, Gu C, Hoemberger M, Johnson J, Kapadnis S, King K, Lulla M, Ma B, Marx I, Magee T, Meissner R, Metrick CM, Mingueneau M, Murugan P, Otipoby KL, Polack E, Poreci U, Prince R, Roach AM, Rowbottom C, Santoro JC, Schroeder P, Tang H, Tien E, Zhang F, Lyssikatos J.
Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of... Hopkins BT, Bame E, Bajrami B, Black C, Bohnert T, Boiselle C, Burdette D, Burns JC, Delva L, Donaldson D, Grater R, Gu C, Hoemberger M, Johnson J, Kapadnis S, King K, Lulla M, Ma B, Marx I, Magee T, Meissner R, Metrick CM, Mingueneau M, Murugan P, Otipoby KL, Polack E, Poreci U, Prince R, Roach AM, Rowbottom C, Santoro JC, Schroeder P, Tang H, Tien E, Zhang F, Lyssikatos J.: Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis. J Med Chem, Volume 65 (2), 2022 J Med Chem 2022 34734694
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Hopkins BT, Bame E, Bell N, Bohnert T, Bowden-Verhoek JK,...
Hopkins BT, Bame E, Bell N, Bohnert T, Bowden-Verhoek JK, Bui M, Cancilla MT, Conlon P, Cullen P, Erlanson DA, Fan J, Fuchs-Knotts T, Hansen S, Heumann S, Jenkins TJ, Marcotte D, McDowell B, Mertsching E, Negrou E, Otipoby KL, Poreci U, Romanowski MJ, Scott D, Silvian L, Yang W, Zhong M.
Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens. Hopkins BT, Bame E, Bell N, Bohnert T, Bowden-Verhoek JK, Bui M, Cancilla MT, Conlon P, Cullen P, Erlanson DA, Fan J, Fuchs-Knotts T, Hansen S, Heumann S, Jenkins TJ, Marcotte D, McDowell B, Mertsching E, Negrou E, Otipoby KL, Poreci U, Romanowski MJ, Scott D, Silvian L, Yang W, Zhong M.: Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens. Bioorg Med Chem, Volume 27 (13), 2019 Bioorg Med Chem 2019 31138459
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Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S,...
Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.
SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA... Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010 Antimicrob Agents Chemother 2010 19933795
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Horikawa M, Kato Y, Tyson CA, Sugiyama Y.
Horikawa M, Kato Y, Tyson CA, Sugiyama Y.
The potential for an interaction between MRP2 (ABCC2) and various therapeutic agents: probenecid as a candidate... Horikawa M, Kato Y, Tyson CA, Sugiyama Y.: The potential for an interaction between MRP2 (ABCC2) and various therapeutic agents: probenecid as a candidate inhibitor of the biliary excretion of irinotecan metabolites. Drug Metab Pharmacokinet, Volume 17 (1), 2002 Drug Metab Pharmacokinet 2002 15618649
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Horton JR, Woodcock CB, Chen Q, Liu X, Zhang X, Shanks J,...
Horton JR, Woodcock CB, Chen Q, Liu X, Zhang X, Shanks J, Rai G, Mott BT, Jansen DJ, Kales SC, Henderson MJ, Cyr M, Pohida K, Hu X, Shah P, Xu X, Jadhav A, Maloney DJ, Hall MD, Simeonov A, Fu H, Vertino PM, Cheng X.
Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. Horton JR, Woodcock CB, Chen Q, Liu X, Zhang X, Shanks J, Rai G, Mott BT, Jansen DJ, Kales SC, Henderson MJ, Cyr M, Pohida K, Hu X, Shah P, Xu X, Jadhav A, Maloney DJ, Hall MD, Simeonov A, Fu H, Vertino PM, Cheng X.: Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J Med Chem, Volume 61 (23), 2018 J Med Chem 2018 30392349
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Hossain N, Ivanova S, Bergare J, Eriksson T.
Hossain N, Ivanova S, Bergare J, Eriksson T.
Spirocyclic compounds, potent CCR1 antagonists. Hossain N, Ivanova S, Bergare J, Eriksson T.: Spirocyclic compounds, potent CCR1 antagonists. Bioorg Med Chem Lett, Volume 23 (6), 2013 Bioorg Med Chem Lett 2013 23414842
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Hossain N, Ivanova S, Bergare J, Mensonides-Harsema M,...
Hossain N, Ivanova S, Bergare J, Mensonides-Harsema M, Cooper ME.
Design, synthesis and structure activity relationships of spirocyclic compounds as potent CCR1 antagonists. Hossain N, Ivanova S, Bergare J, Mensonides-Harsema M, Cooper ME.: Design, synthesis and structure activity relationships of spirocyclic compounds as potent CCR1 antagonists. Bioorg Med Chem Lett, Volume 23 (12), 2013 Bioorg Med Chem Lett 2013 23659855
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Hossain N, Mensonides-Harsema M, Cooper ME, Eriksson T,...
Hossain N, Mensonides-Harsema M, Cooper ME, Eriksson T, Ivanova S, Bergström L.
Structure activity relationships of fused bicyclic and urea derivatives of spirocyclic compounds as potent CCR1... Hossain N, Mensonides-Harsema M, Cooper ME, Eriksson T, Ivanova S, Bergström L.: Structure activity relationships of fused bicyclic and urea derivatives of spirocyclic compounds as potent CCR1 antagonists. Bioorg Med Chem Lett, Volume 24 (1), 2014 Bioorg Med Chem Lett 2014 24332486
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Hostalkova A, Marikova J, Opletal L, Korabecny J, Hulcova...
Hostalkova A, Marikova J, Opletal L, Korabecny J, Hulcova D, Kunes J, Novakova L, Perez DI, Jun D, Kucera T, Andrisano V, Siatka T, Cahlikova L.
Isoquinoline Alkaloids from Berberis vulgaris as Potential Lead Compounds for the Treatment of Alzheimer's Disease. Hostalkova A, Marikova J, Opletal L, Korabecny J, Hulcova D, Kunes J, Novakova L, Perez DI, Jun D, Kucera T, Andrisano V, Siatka T, Cahlikova L.: Isoquinoline Alkaloids from Berberis vulgaris as Potential Lead Compounds for the Treatment of Alzheimer's Disease. J Nat Prod, Volume 82 (2), 2019 J Nat Prod 2019 30701972
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Hou J, Li Z, Fang Q, Feng C, Zhang H, Guo W, Wang H, Gu G,...
Hou J, Li Z, Fang Q, Feng C, Zhang H, Guo W, Wang H, Gu G, Tian Y, Liu P, Liu R, Lin J, Shi YK, Yin Z, Shen J, Wang PG.
Discovery and extensive in vitro evaluations of NK-HDAC-1: a chiral histone deacetylase inhibitor as a promising lead. Hou J, Li Z, Fang Q, Feng C, Zhang H, Guo W, Wang H, Gu G, Tian Y, Liu P, Liu R, Lin J, Shi YK, Yin Z, Shen J, Wang PG.: Discovery and extensive in vitro evaluations of NK-HDAC-1: a chiral histone deacetylase inhibitor as a promising lead. J Med Chem, Volume 55 (7), 2012 J Med Chem 2012 22435669
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Houghton PJ, Germain GS, Harwood FC, Schuetz JD, Stewart...
Houghton PJ, Germain GS, Harwood FC, Schuetz JD, Stewart CF, Buchdunger E, Traxler P.
Imatinib mesylate is a potent inhibitor of the ABCG2 (BCRP) transporter and reverses resistance to topotecan and SN-38... Houghton PJ, Germain GS, Harwood FC, Schuetz JD, Stewart CF, Buchdunger E, Traxler P.: Imatinib mesylate is a potent inhibitor of the ABCG2 (BCRP) transporter and reverses resistance to topotecan and SN-38 in vitro. Cancer Res, Volume 64 (7), 2004 Cancer Res 2004 15059881
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Total active interactions: 2
Houlihan WJ, Kelly L, Pankuch J, Koletar J, Brand L,...
Houlihan WJ, Kelly L, Pankuch J, Koletar J, Brand L, Janowsky A, Kopajtic TA.
Mazindol analogues as potential inhibitors of the cocaine binding site at the dopamine transporter. Houlihan WJ, Kelly L, Pankuch J, Koletar J, Brand L, Janowsky A, Kopajtic TA.: Mazindol analogues as potential inhibitors of the cocaine binding site at the dopamine transporter. J Med Chem, Volume 45 (19), 2002 J Med Chem 2002 12213053
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Houštecká R, Hadzima M, Fanfrlík J, Brynda J, Pallová...
Houštecká R, Hadzima M, Fanfrlík J, Brynda J, Pallová L, Hánová I, Mertlíková-Kaiserová H, Lepšík M, Horn M, Smrčina M, Majer P, Mareš M.
Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. Houštecká R, Hadzima M, Fanfrlík J, Brynda J, Pallová L, Hánová I, Mertlíková-Kaiserová H, Lepšík M, Horn M, Smrčina M, Majer P, Mareš M.: Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J Med Chem, Volume 63 (4), 2020 J Med Chem 2020 32003991
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Hoveyda HR, Fraser GL, Dutheuil G, El Bousmaqui M, Korac J,...
Hoveyda HR, Fraser GL, Dutheuil G, El Bousmaqui M, Korac J, Lenoir F, Lapin A, Noël S.
Optimization of Novel Antagonists to the Neurokinin-3 Receptor for the Treatment of Sex-Hormone Disorders (Part II). Hoveyda HR, Fraser GL, Dutheuil G, El Bousmaqui M, Korac J, Lenoir F, Lapin A, Noël S.: Optimization of Novel Antagonists to the Neurokinin-3 Receptor for the Treatment of Sex-Hormone Disorders (Part II). ACS Med Chem Lett, Volume 6 (7), 2015 ACS Med Chem Lett 2015 26191358
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Hoveyda HR, Fraser GL, Roy MO, Dutheuil G, Batt F, El...
Hoveyda HR, Fraser GL, Roy MO, Dutheuil G, Batt F, El Bousmaqui M, Korac J, Lenoir F, Lapin A, Noël S, Blanc S.
Discovery and optimization of novel antagonists to the human neurokinin-3 receptor for the treatment of sex-hormone... Hoveyda HR, Fraser GL, Roy MO, Dutheuil G, Batt F, El Bousmaqui M, Korac J, Lenoir F, Lapin A, Noël S, Blanc S.: Discovery and optimization of novel antagonists to the human neurokinin-3 receptor for the treatment of sex-hormone disorders (Part I). J Med Chem, Volume 58 (7), 2015 J Med Chem 2015 25738882
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Hoveyda HR, Marsault E, Gagnon R, Mathieu AP, Vézina M,...
Hoveyda HR, Marsault E, Gagnon R, Mathieu AP, Vézina M, Landry A, Wang Z, Benakli K, Beaubien S, Saint-Louis C, Brassard M, Pinault JF, Ouellet L, Bhat S, Ramaseshan M, Peng X, Foucher L, Beauchemin S, Bhérer P, Veber DF, Peterson ML, Fraser GL.
Optimization of the potency and pharmacokinetic properties of a macrocyclic ghrelin receptor agonist (Part I):... Hoveyda HR, Marsault E, Gagnon R, Mathieu AP, Vézina M, Landry A, Wang Z, Benakli K, Beaubien S, Saint-Louis C, Brassard M, Pinault JF, Ouellet L, Bhat S, Ramaseshan M, Peng X, Foucher L, Beauchemin S, Bhérer P, Veber DF, Peterson ML, Fraser GL.: Optimization of the potency and pharmacokinetic properties of a macrocyclic ghrelin receptor agonist (Part I): Development of ulimorelin (TZP-101) from hit to clinic. J Med Chem, Volume 54 (24), 2011 J Med Chem 2011 22106937
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Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J,...
Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.
Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for... Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016 Bioorg Med Chem Lett 2016 27287370
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Hsiang B, Zhu Y, Wang Z, Wu Y, Sasseville V, Yang WP,...
Hsiang B, Zhu Y, Wang Z, Wu Y, Sasseville V, Yang WP, Kirchgessner TG.
A novel human hepatic organic anion transporting polypeptide (OATP2). Identification of a liver-specific human organic... Hsiang B, Zhu Y, Wang Z, Wu Y, Sasseville V, Yang WP, Kirchgessner TG.: A novel human hepatic organic anion transporting polypeptide (OATP2). Identification of a liver-specific human organic anion transporting polypeptide and identification of rat and human hydroxymethylglutaryl-CoA reductase inhibitor transporters. J Biol Chem, Volume 274 (52), 1999 J Biol Chem 1999 10601278
Total substances: 2
Total passive interactions: 0
Total active interactions: 4
Hsiao SH, Lu YJ, Yang CC, Tuo WC, Li YQ, Huang YH, Hsieh...
Hsiao SH, Lu YJ, Yang CC, Tuo WC, Li YQ, Huang YH, Hsieh CH, Hung TH, Wu CP.
Hernandezine, a Bisbenzylisoquinoline Alkaloid with Selective Inhibitory Activity against Multidrug-Resistance-Linked... Hsiao SH, Lu YJ, Yang CC, Tuo WC, Li YQ, Huang YH, Hsieh CH, Hung TH, Wu CP.: Hernandezine, a Bisbenzylisoquinoline Alkaloid with Selective Inhibitory Activity against Multidrug-Resistance-Linked ATP-Binding Cassette Drug Transporter ABCB1. J Nat Prod, Volume 79 (8), 2016 J Nat Prod 2016 27504669
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying...
Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.
Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018 Bioorg Med Chem Lett 2018 30348490
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Hu E, Ma J, Biorn C, Lester-Zeiner D, Cho R, Rumfelt S,...
Hu E, Ma J, Biorn C, Lester-Zeiner D, Cho R, Rumfelt S, Kunz RK, Nixey T, Michelsen K, Miller S, Shi J, Wong J, Hill Della Puppa G, Able J, Talreja S, Hwang DR, Hitchcock SA, Porter A, Immke D, Allen JR, Treanor J, Chen H.
Rapid identification of a novel small molecule phosphodiesterase 10A (PDE10A) tracer. Hu E, Ma J, Biorn C, Lester-Zeiner D, Cho R, Rumfelt S, Kunz RK, Nixey T, Michelsen K, Miller S, Shi J, Wong J, Hill Della Puppa G, Able J, Talreja S, Hwang DR, Hitchcock SA, Porter A, Immke D, Allen JR, Treanor J, Chen H.: Rapid identification of a novel small molecule phosphodiesterase 10A (PDE10A) tracer. J Med Chem, Volume 55 (10), 2012 J Med Chem 2012 22548439
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Hu HZ, Gu Q, Wang C, Colton CK, Tang J, Kinoshita-Kawada M,...
Hu HZ, Gu Q, Wang C, Colton CK, Tang J, Kinoshita-Kawada M, Lee LY, Wood JD, Zhu MX.
2-aminoethoxydiphenyl borate is a common activator of TRPV1, TRPV2, and TRPV3. Hu HZ, Gu Q, Wang C, Colton CK, Tang J, Kinoshita-Kawada M, Lee LY, Wood JD, Zhu MX.: 2-aminoethoxydiphenyl borate is a common activator of TRPV1, TRPV2, and TRPV3. J Biol Chem, Volume 279 (34), 2004 J Biol Chem 2004 15194687
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X,...
Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X, Hu J, Wang M, Xu Y, Wu Z, Li X, Tang Y, Mao F, Chen X, Zhang H, Li J.
Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents. Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X, Hu J, Wang M, Xu Y, Wu Z, Li X, Tang Y, Mao F, Chen X, Zhang H, Li J.: Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents. J Med Chem, Volume 63 (3), 2020 J Med Chem 2020 31910018
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Hu Y, Chen X, Smith DE.
Hu Y, Chen X, Smith DE.
Species-dependent uptake of glycylsarcosine but not oseltamivir in Pichia pastoris expressing the rat, mouse, and human... Hu Y, Chen X, Smith DE.: Species-dependent uptake of glycylsarcosine but not oseltamivir in Pichia pastoris expressing the rat, mouse, and human intestinal peptide transporter PEPT1. Drug Metab Dispos, Volume 40 (7), 2012 Drug Metab Dispos 2012 22490229
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Hu Y, Hau RK, Wang Y, Tuohy P, Zhang Y, Xu S, Ma C, Wang J.
Hu Y, Hau RK, Wang Y, Tuohy P, Zhang Y, Xu S, Ma C, Wang J.
Structure-Property Relationship Studies of Influenza A Virus AM2-S31N Proton Channel Blockers. Hu Y, Hau RK, Wang Y, Tuohy P, Zhang Y, Xu S, Ma C, Wang J.: Structure-Property Relationship Studies of Influenza A Virus AM2-S31N Proton Channel Blockers. ACS Med Chem Lett, Volume 9 (11), 2018 ACS Med Chem Lett 2018 30429954
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Hu Y, Xing L, Thomason JR, Xiang J, Ipek M, Guler S, Li H,...
Hu Y, Xing L, Thomason JR, Xiang J, Ipek M, Guler S, Li H, Sabatini J, Chockalingam P, Reifenberg E, Sheldon R, Morris EA, Georgiadis KE, Tam S.
Continued exploration of biphenylsulfonamide scaffold as a platform for aggrecanase-1 inhibition. Hu Y, Xing L, Thomason JR, Xiang J, Ipek M, Guler S, Li H, Sabatini J, Chockalingam P, Reifenberg E, Sheldon R, Morris EA, Georgiadis KE, Tam S.: Continued exploration of biphenylsulfonamide scaffold as a platform for aggrecanase-1 inhibition. Bioorg Med Chem Lett, Volume 21 (22), 2011 Bioorg Med Chem Lett 2011 21982494
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Hu YJ, St-Onge M, Laliberté S, Vallée F, Jin S, Bedard L,...
Hu YJ, St-Onge M, Laliberté S, Vallée F, Jin S, Bedard L, Labrecque J, Albert JS.
Discovery of a 4-aryloxy-1H-pyrrolo[3,2-c]pyridine and a 1-aryloxyisoquinoline series of TRPA1 antagonists. Hu YJ, St-Onge M, Laliberté S, Vallée F, Jin S, Bedard L, Labrecque J, Albert JS.: Discovery of a 4-aryloxy-1H-pyrrolo[3,2-c]pyridine and a 1-aryloxyisoquinoline series of TRPA1 antagonists. Bioorg Med Chem Lett, Volume 24 (14), 2014 Bioorg Med Chem Lett 2014 24835202
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Hu Z, Wang C, Glunz PW, Li J, Cheadle NL, Chen AY, Chen XQ,...
Hu Z, Wang C, Glunz PW, Li J, Cheadle NL, Chen AY, Chen XQ, Myers JE, Guarino VR, Rose A, Sack JS, Sitkoff D, Taylor DS, Xu S, Yan C, Zhang H, Zhang L, Hennan J, Adam LP, Wexler RR, Quan ML.
Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies. Hu Z, Wang C, Glunz PW, Li J, Cheadle NL, Chen AY, Chen XQ, Myers JE, Guarino VR, Rose A, Sack JS, Sitkoff D, Taylor DS, Xu S, Yan C, Zhang H, Zhang L, Hennan J, Adam LP, Wexler RR, Quan ML.: Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies. Bioorg Med Chem Lett, Volume 30 (21), 2020 Bioorg Med Chem Lett 2020 32798651
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Huang A, Jayaraman L, Fura A, Vite GD, Trainor GL,...
Huang A, Jayaraman L, Fura A, Vite GD, Trainor GL, Gottardis MM, Spires TE, Spires VM, Rizzo CA, Obermeier MT, Elzinga PA, Todderud G, Fan Y, Newitt JA, Beyer SM, Zhu Y, Warrack BM, Goodenough AK, Tebben AJ, Doweyko AM, Gold DL, Balog A.
Discovery of the Selective CYP17A1 Lyase Inhibitor BMS-351 for the Treatment of Prostate Cancer. Huang A, Jayaraman L, Fura A, Vite GD, Trainor GL, Gottardis MM, Spires TE, Spires VM, Rizzo CA, Obermeier MT, Elzinga PA, Todderud G, Fan Y, Newitt JA, Beyer SM, Zhu Y, Warrack BM, Goodenough AK, Tebben AJ, Doweyko AM, Gold DL, Balog A.: Discovery of the Selective CYP17A1 Lyase Inhibitor BMS-351 for the Treatment of Prostate Cancer. ACS Med Chem Lett, Volume 7 (1), 2016 ACS Med Chem Lett 2016 26819663
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Huang A, Moretto A, Janz K, Lowe M, Bedard PW, Tam S, Di L,...
Huang A, Moretto A, Janz K, Lowe M, Bedard PW, Tam S, Di L, Clerin V, Sushkova N, Tchernychev B, Tsao DH, Keith JC, Shaw GD, Schaub RG, Wang Q, Kaila N.
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a... Huang A, Moretto A, Janz K, Lowe M, Bedard PW, Tam S, Di L, Clerin V, Sushkova N, Tchernychev B, Tsao DH, Keith JC, Shaw GD, Schaub RG, Wang Q, Kaila N.: Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury. J Med Chem, Volume 53 (16), 2010 J Med Chem 2010 20718494
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Huang C, Liew SS, Lin GR, Poulsen A, Ang MJY, Chia BCS,...
Huang C, Liew SS, Lin GR, Poulsen A, Ang MJY, Chia BCS, Chew SY, Kwek ZP, Wee JLK, Ong EH, Retna P, Baburajendran N, Li R, Yu W, Koh-Stenta X, Ngo A, Manesh S, Fulwood J, Ke Z, Chung HH, Sepramaniam S, Chew XH, Dinie N, Lee MA, Chew YS, Low CB, Pendharkar V, Manoharan V, Vuddagiri S, Sangthongpitag K, Joy J, Matter A, Hill J, Keller TH, Foo K.
Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3. Huang C, Liew SS, Lin GR, Poulsen A, Ang MJY, Chia BCS, Chew SY, Kwek ZP, Wee JLK, Ong EH, Retna P, Baburajendran N, Li R, Yu W, Koh-Stenta X, Ngo A, Manesh S, Fulwood J, Ke Z, Chung HH, Sepramaniam S, Chew XH, Dinie N, Lee MA, Chew YS, Low CB, Pendharkar V, Manoharan V, Vuddagiri S, Sangthongpitag K, Joy J, Matter A, Hill J, Keller TH, Foo K.: Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3. ACS Med Chem Lett, Volume 10 (6), 2019 ACS Med Chem Lett 2019 31223458
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Huang C, Wang H, Tang L, Meng F.
Huang C, Wang H, Tang L, Meng F.
Penetration enhancement of menthol on quercetin through skin: insights from atomistic simulation. Huang C, Wang H, Tang L, Meng F.: Penetration enhancement of menthol on quercetin through skin: insights from atomistic simulation. J Mol Model, Volume 25 (8), 235, 2019 J Mol Model 2019 31332539
Total substances: 2
Total passive interactions: 2
Total active interactions: 0
Huang CL, Feng S, Hilgemann DW.
Huang CL, Feng S, Hilgemann DW.
Direct activation of inward rectifier potassium channels by PIP2 and its stabilization by Gbetagamma. Huang CL, Feng S, Hilgemann DW.: Direct activation of inward rectifier potassium channels by PIP2 and its stabilization by Gbetagamma. Nature, Volume 391 (6669), 1998 Nature 1998 9486652
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Huang F, Ning M, Wang K, Liu J, Guan W, Leng Y, Shen J.
Huang F, Ning M, Wang K, Liu J, Guan W, Leng Y, Shen J.
Discovery of Highly Polar β-Homophenylalanine Derivatives as Nonsystemic Intestine-Targeted Dipeptidyl Peptidase IV... Huang F, Ning M, Wang K, Liu J, Guan W, Leng Y, Shen J.: Discovery of Highly Polar β-Homophenylalanine Derivatives as Nonsystemic Intestine-Targeted Dipeptidyl Peptidase IV Inhibitors. J Med Chem, Volume 62 (23), 2019 J Med Chem 2019 31747282
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Huang HS, Schoenwald RD, Lach JL.
Huang HS, Schoenwald RD, Lach JL.
Corneal penetration behavior of beta-blocking agents II: Assessment of barrier contributions. Huang HS, Schoenwald RD, Lach JL.: Corneal penetration behavior of beta-blocking agents II: Assessment of barrier contributions. J Pharm Sci, Volume 72 (11), 1272-1279, 1983 J Pharm Sci 1983 6139472
Total substances: 12
Total passive interactions: 19
Total active interactions: 0
Huang L, Hoffman T, Vore M.
Huang L, Hoffman T, Vore M.
Adenosine triphosphate-dependent transport of estradiol-17beta(beta-D-glucuronide) in membrane vesicles by MDR1... Huang L, Hoffman T, Vore M.: Adenosine triphosphate-dependent transport of estradiol-17beta(beta-D-glucuronide) in membrane vesicles by MDR1 expressed in insect cells. Hepatology, Volume 28 (5), 1998 Hepatology 1998 9794924
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Huang L, Miao H, Sun Y, Meng F, Li X.
Huang L, Miao H, Sun Y, Meng F, Li X.
Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014 Eur J Med Chem 2014 25282266
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Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.
Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.
Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and... Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015 Bioorg Med Chem Lett 2015 25542589
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Huang PQ, Boren BC, Hegde SG, Liu H, Unni AK, Abraham S,...
Huang PQ, Boren BC, Hegde SG, Liu H, Unni AK, Abraham S, Hopkins CD, Paliwal S, Samatar AA, Li J, Bunker KD.
Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the... Huang PQ, Boren BC, Hegde SG, Liu H, Unni AK, Abraham S, Hopkins CD, Paliwal S, Samatar AA, Li J, Bunker KD.: Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the Treatment of Cancer. J Med Chem, Volume 64 (17), 2021 J Med Chem 2021 34423975
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Huang Y, Bae SA, Zhu Z, Guo N, Roth BL, Laruelle M.
Huang Y, Bae SA, Zhu Z, Guo N, Roth BL, Laruelle M.
Fluorinated diaryl sulfides as serotonin transporter ligands: synthesis, structure-activity relationship study, and in... Huang Y, Bae SA, Zhu Z, Guo N, Roth BL, Laruelle M.: Fluorinated diaryl sulfides as serotonin transporter ligands: synthesis, structure-activity relationship study, and in vivo evaluation of fluorine-18-labeled compounds as PET imaging agents. J Med Chem, Volume 48 (7), 2005 J Med Chem 2005 15801845
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Huang Y, Wu XN, Zhou Q, Wu Y, Zheng D, Li Z, Guo L, Luo HB.
Huang Y, Wu XN, Zhou Q, Wu Y, Zheng D, Li Z, Guo L, Luo HB.
Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. Huang Y, Wu XN, Zhou Q, Wu Y, Zheng D, Li Z, Guo L, Luo HB.: Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J Med Chem, Volume 63 (24), 2020 J Med Chem 2020 33291877
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Hub JS, Winkler FK, Merrick M, de Groot BL.
Hub JS, Winkler FK, Merrick M, de Groot BL.
Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel... Hub JS, Winkler FK, Merrick M, de Groot BL.: Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranes. J Am Chem Soc, Volume 132 (38), 13251-13263, 2010 J Am Chem Soc 2010 20815391
Total substances: 2
Total passive interactions: 3
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Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.
Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.
Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007 J Med Chem 2007 17887660
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Huber JD, Bentzien J, Boyer SJ, Burke J, De Lombaert S,...
Huber JD, Bentzien J, Boyer SJ, Burke J, De Lombaert S, Eickmeier C, Guo X, Haist JV, Hickey ER, Kaplita P, Karmazyn M, Kemper R, Kennedy CA, Kirrane T, Madwed JB, Mainolfi E, Nagaraja N, Soleymanzadeh F, Swinamer A, Eldrup AB.
Identification of a potent sodium hydrogen exchanger isoform 1 (NHE1) inhibitor with a suitable profile for chronic... Huber JD, Bentzien J, Boyer SJ, Burke J, De Lombaert S, Eickmeier C, Guo X, Haist JV, Hickey ER, Kaplita P, Karmazyn M, Kemper R, Kennedy CA, Kirrane T, Madwed JB, Mainolfi E, Nagaraja N, Soleymanzadeh F, Swinamer A, Eldrup AB.: Identification of a potent sodium hydrogen exchanger isoform 1 (NHE1) inhibitor with a suitable profile for chronic dosing and demonstrated cardioprotective effects in a preclinical model of myocardial infarction in the rat. J Med Chem, Volume 55 (16), 2012 J Med Chem 2012 22803959
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Hucke O, Coulombe R, Bonneau P, Bertrand-Laperle M, Brochu...
Hucke O, Coulombe R, Bonneau P, Bertrand-Laperle M, Brochu C, Gillard J, Joly MA, Landry S, Lepage O, Llinàs-Brunet M, Pesant M, Poirier M, Poirier M, McKercher G, Marquis M, Kukolj G, Beaulieu PL, Stammers TA.
Molecular dynamics simulations and structure-based rational design lead to allosteric HCV NS5B polymerase thumb pocket... Hucke O, Coulombe R, Bonneau P, Bertrand-Laperle M, Brochu C, Gillard J, Joly MA, Landry S, Lepage O, Llinàs-Brunet M, Pesant M, Poirier M, Poirier M, McKercher G, Marquis M, Kukolj G, Beaulieu PL, Stammers TA.: Molecular dynamics simulations and structure-based rational design lead to allosteric HCV NS5B polymerase thumb pocket 2 inhibitor with picomolar cellular replicon potency. J Med Chem, Volume 57 (5), 2014 J Med Chem 2014 23773186
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Huckvale R, Harnden AC, Cheung KJ, Pierrat OA, Talbot R,...
Huckvale R, Harnden AC, Cheung KJ, Pierrat OA, Talbot R, Box GM, Henley AT, de Haven Brandon AK, Hallsworth AE, Bright MD, Akpinar HA, Miller DSJ, Tarantino D, Gowan S, Hayes A, Gunnell EA, Brennan A, Davis OA, Johnson LD, de Klerk S, McAndrew C, Le Bihan YV, Meniconi M, Burke R, Kirkin V, van Montfort RLM, Raynaud FI, Rossanese OW, Bellenie BR, Hoelder S.
Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo. Huckvale R, Harnden AC, Cheung KJ, Pierrat OA, Talbot R, Box GM, Henley AT, de Haven Brandon AK, Hallsworth AE, Bright MD, Akpinar HA, Miller DSJ, Tarantino D, Gowan S, Hayes A, Gunnell EA, Brennan A, Davis OA, Johnson LD, de Klerk S, McAndrew C, Le Bihan YV, Meniconi M, Burke R, Kirkin V, van Montfort RLM, Raynaud FI, Rossanese OW, Bellenie BR, Hoelder S.: Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo. J Med Chem, Volume 65 (12), 2022 J Med Chem 2022 35653645
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Hudkins RL, Aimone LD, Dandu RR, Dunn D, Gruner JA, Huang...
Hudkins RL, Aimone LD, Dandu RR, Dunn D, Gruner JA, Huang Z, Josef KA, Lyons JA, Mathiasen JR, Tao M, Zulli AL, Raddatz R.
4,5-dihydropyridazin-3-one derivatives as histamine H₃ receptor inverse agonists. Hudkins RL, Aimone LD, Dandu RR, Dunn D, Gruner JA, Huang Z, Josef KA, Lyons JA, Mathiasen JR, Tao M, Zulli AL, Raddatz R.: 4,5-dihydropyridazin-3-one derivatives as histamine H₃ receptor inverse agonists. Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22142542
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Hudkins RL, Josef KA, Becknell NC, Aimone LD, Lyons JA,...
Hudkins RL, Josef KA, Becknell NC, Aimone LD, Lyons JA, Mathiasen JR, Gruner JA, Raddatz R.
Discovery of (1R,6S)-5-[4-(1-cyclobutyl-piperidin-4-yloxy)-phenyl]-3,4-diaza-bicyclo[4.1.0]hept-4-en-2-one (R,S-4a):... Hudkins RL, Josef KA, Becknell NC, Aimone LD, Lyons JA, Mathiasen JR, Gruner JA, Raddatz R.: Discovery of (1R,6S)-5-[4-(1-cyclobutyl-piperidin-4-yloxy)-phenyl]-3,4-diaza-bicyclo[4.1.0]hept-4-en-2-one (R,S-4a): histamine H(3) receptor inverse agonist demonstrating potent cognitive enhancing and wake promoting activity. Bioorg Med Chem Lett, Volume 24 (5), 2014 Bioorg Med Chem Lett 2014 24513042
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Hudkins RL, Raddatz R, Tao M, Mathiasen JR, Aimone LD,...
Hudkins RL, Raddatz R, Tao M, Mathiasen JR, Aimone LD, Becknell NC, Prouty CP, Knutsen LJ, Yazdanian M, Moachon G, Ator MA, Mallamo JP, Marino MJ, Bacon ER, Williams M.
Discovery and characterization of 6-{4-[3-(R)-2-methylpyrrolidin-1-yl)propoxy]phenyl}-2H-pyridazin-3-one (CEP-26401,... Hudkins RL, Raddatz R, Tao M, Mathiasen JR, Aimone LD, Becknell NC, Prouty CP, Knutsen LJ, Yazdanian M, Moachon G, Ator MA, Mallamo JP, Marino MJ, Bacon ER, Williams M.: Discovery and characterization of 6-{4-[3-(R)-2-methylpyrrolidin-1-yl)propoxy]phenyl}-2H-pyridazin-3-one (CEP-26401, irdabisant): a potent, selective histamine H3 receptor inverse agonist. J Med Chem, Volume 54 (13), 2011 J Med Chem 2011 21634396
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Total passive interactions: 0
Total active interactions: 2
Hudkins RL, Zulli AL, Dandu Rr, Tao M, Josef KA, Aimone LD,...
Hudkins RL, Zulli AL, Dandu Rr, Tao M, Josef KA, Aimone LD, Haltiwanger RC, Huang Z, Lyons JA, Mathiasen JR, Raddatz R, Gruner JA.
4-phenoxypiperidine pyridazin-3-one histamine H(3) receptor inverse agonists demonstrating potent and robust wake... Hudkins RL, Zulli AL, Dandu Rr, Tao M, Josef KA, Aimone LD, Haltiwanger RC, Huang Z, Lyons JA, Mathiasen JR, Raddatz R, Gruner JA.: 4-phenoxypiperidine pyridazin-3-one histamine H(3) receptor inverse agonists demonstrating potent and robust wake promoting activity. Bioorg Med Chem Lett, Volume 22 (4), 2012 Bioorg Med Chem Lett 2012 22290075
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Hudson AR, Santora VJ, Petroski RE, Almos TA, Anderson G,...
Hudson AR, Santora VJ, Petroski RE, Almos TA, Anderson G, Barido R, Basinger J, Bellows CL, Bookser BC, Broadbent NJ, Cabebe C, Chai CK, Chen M, Chow S, Chung M, Heger L, Danks AM, Freestone GC, Gitnick D, Gupta V, Hoffmaster C, Kaplan AP, Kennedy MR, Lee D, Limberis J, Ly K, Mak CC, Masatsugu B, Morse AC, Na J, Neul D, Nikpur J, Renick J, Sebring K, Sevidal S, Tabatabaei A, Wen J, Xia S, Yan Y, Yoder ZW, Zook D, Peters M, Breitenbucher JG.
Azetidine-based selective glycine transporter-1 (GlyT1) inhibitors with memory enhancing properties. Hudson AR, Santora VJ, Petroski RE, Almos TA, Anderson G, Barido R, Basinger J, Bellows CL, Bookser BC, Broadbent NJ, Cabebe C, Chai CK, Chen M, Chow S, Chung M, Heger L, Danks AM, Freestone GC, Gitnick D, Gupta V, Hoffmaster C, Kaplan AP, Kennedy MR, Lee D, Limberis J, Ly K, Mak CC, Masatsugu B, Morse AC, Na J, Neul D, Nikpur J, Renick J, Sebring K, Sevidal S, Tabatabaei A, Wen J, Xia S, Yan Y, Yoder ZW, Zook D, Peters M, Breitenbucher JG.: Azetidine-based selective glycine transporter-1 (GlyT1) inhibitors with memory enhancing properties. Bioorg Med Chem Lett, Volume 30 (14), 2020 Bioorg Med Chem Lett 2020 32527538
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Hudson S, Kiankarimi M, Eccles W, Dwight W, Mostofi YS,...
Hudson S, Kiankarimi M, Eccles W, Dwight W, Mostofi YS, Genicot MJ, Fleck BA, Gogas K, Aparicio A, Wang H, Wen J, Wade WS.
Structure-activity relationships of chiral selective norepinephrine reuptake inhibitors (sNRI) with increased oxidative... Hudson S, Kiankarimi M, Eccles W, Dwight W, Mostofi YS, Genicot MJ, Fleck BA, Gogas K, Aparicio A, Wang H, Wen J, Wade WS.: Structure-activity relationships of chiral selective norepinephrine reuptake inhibitors (sNRI) with increased oxidative stability. Bioorg Med Chem Lett, Volume 18 (16), 2008 Bioorg Med Chem Lett 2008 18672364
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Huestis MP, Dela Cruz D, DiPasquale AG, Durk MR, Eigenbrot...
Huestis MP, Dela Cruz D, DiPasquale AG, Durk MR, Eigenbrot C, Gibbons P, Gobbi A, Hunsaker TL, La H, Leung DH, Liu W, Malek S, Merchant M, Moffat JG, Muli CS, Orr CJ, Parr BT, Shanahan F, Sneeringer CJ, Wang W, Yen I, Yin J, Siu M, Rudolph J.
Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3H)-quinazolinone Aryl Urea... Huestis MP, Dela Cruz D, DiPasquale AG, Durk MR, Eigenbrot C, Gibbons P, Gobbi A, Hunsaker TL, La H, Leung DH, Liu W, Malek S, Merchant M, Moffat JG, Muli CS, Orr CJ, Parr BT, Shanahan F, Sneeringer CJ, Wang W, Yen I, Yin J, Siu M, Rudolph J.: Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3H)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. J Med Chem, Volume 64 (7), 2021 J Med Chem 2021 33780623
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Huestis MP, Durk MR, Eigenbrot C, Gibbons P, Hunsaker TL,...
Huestis MP, Durk MR, Eigenbrot C, Gibbons P, Hunsaker TL, La H, Leung DH, Liu W, Malek S, Merchant M, Moffat JG, Muli CS, Orr CJ, Parr BT, Shanahan F, Sneeringer CJ, Wang W, Yen I, Yin J, Rudolph J, Siu M.
Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a Pyridopyridazinone pan-RAF Kinase Inhibitor. Huestis MP, Durk MR, Eigenbrot C, Gibbons P, Hunsaker TL, La H, Leung DH, Liu W, Malek S, Merchant M, Moffat JG, Muli CS, Orr CJ, Parr BT, Shanahan F, Sneeringer CJ, Wang W, Yen I, Yin J, Rudolph J, Siu M.: Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a Pyridopyridazinone pan-RAF Kinase Inhibitor. ACS Med Chem Lett, Volume 12 (5), 2021 ACS Med Chem Lett 2021 34055227
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Hughes RO, Walker JK, Rogier DJ, Heasley SE, Blevis-Bal RM,...
Hughes RO, Walker JK, Rogier DJ, Heasley SE, Blevis-Bal RM, Benson AG, Jacobsen EJ, Cubbage JW, Fobian YM, Owen DR, Freskos JN, Molyneaux JM, Brown DL, Acker BA, Maddux TM, Tollefson MB, Moon JB, Mischke BV, Rumsey JM, Zheng Y, MacInnes A, Bond BR, Yu Y.
Optimization of the aminopyridopyrazinones class of PDE5 inhibitors: discovery of... Hughes RO, Walker JK, Rogier DJ, Heasley SE, Blevis-Bal RM, Benson AG, Jacobsen EJ, Cubbage JW, Fobian YM, Owen DR, Freskos JN, Molyneaux JM, Brown DL, Acker BA, Maddux TM, Tollefson MB, Moon JB, Mischke BV, Rumsey JM, Zheng Y, MacInnes A, Bond BR, Yu Y.: Optimization of the aminopyridopyrazinones class of PDE5 inhibitors: discovery of 3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one. Bioorg Med Chem Lett, Volume 19 (17), 2009 Bioorg Med Chem Lett 2009 19631533
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Hughes SJ, Millan DS, Kilty IC, Lewthwaite RA, Mathias JP,...
Hughes SJ, Millan DS, Kilty IC, Lewthwaite RA, Mathias JP, O'Reilly MA, Pannifer A, Phelan A, Stühmeier F, Baldock DA, Brown DG.
Fragment based discovery of a novel and selective PI3 kinase inhibitor. Hughes SJ, Millan DS, Kilty IC, Lewthwaite RA, Mathias JP, O'Reilly MA, Pannifer A, Phelan A, Stühmeier F, Baldock DA, Brown DG.: Fragment based discovery of a novel and selective PI3 kinase inhibitor. Bioorg Med Chem Lett, Volume 21 (21), 2011 Bioorg Med Chem Lett 2011 21925880
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Humphreys PG, Bamborough P, Chung CW, Craggs PD, Gordon L,...
Humphreys PG, Bamborough P, Chung CW, Craggs PD, Gordon L, Grandi P, Hayhow TG, Hussain J, Jones KL, Lindon M, Michon AM, Renaux JF, Suckling CJ, Tough DF, Prinjha RK.
Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible... Humphreys PG, Bamborough P, Chung CW, Craggs PD, Gordon L, Grandi P, Hayhow TG, Hussain J, Jones KL, Lindon M, Michon AM, Renaux JF, Suckling CJ, Tough DF, Prinjha RK.: Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe. J Med Chem, Volume 60 (2), 2017 J Med Chem 2017 28002667
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Humphries PS, Benbow JW, Bonin PD, Boyer D, Doran SD,...
Humphries PS, Benbow JW, Bonin PD, Boyer D, Doran SD, Frisbie RK, Piotrowski DW, Balan G, Bechle BM, Conn EL, Dirico KJ, Oliver RM, Soeller WC, Southers JA, Yang X.
Synthesis and SAR of 1,2,3,4-tetrahydroisoquinolin-1-ones as novel G-protein-coupled receptor 40 (GPR40) antagonists. Humphries PS, Benbow JW, Bonin PD, Boyer D, Doran SD, Frisbie RK, Piotrowski DW, Balan G, Bechle BM, Conn EL, Dirico KJ, Oliver RM, Soeller WC, Southers JA, Yang X.: Synthesis and SAR of 1,2,3,4-tetrahydroisoquinolin-1-ones as novel G-protein-coupled receptor 40 (GPR40) antagonists. Bioorg Med Chem Lett, Volume 19 (9), 2009 Bioorg Med Chem Lett 2009 19346127
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Humphries PS, Lafontaine JA, Agree CS, Alexander D, Chen P,...
Humphries PS, Lafontaine JA, Agree CS, Alexander D, Chen P, Do QQ, Li LY, Lunney EA, Rajapakse RJ, Siegel K, Timofeevski SL, Wang T, Wilhite DM.
Synthesis and SAR of 4-substituted-2-aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors. Humphries PS, Lafontaine JA, Agree CS, Alexander D, Chen P, Do QQ, Li LY, Lunney EA, Rajapakse RJ, Siegel K, Timofeevski SL, Wang T, Wilhite DM.: Synthesis and SAR of 4-substituted-2-aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors. Bioorg Med Chem Lett, Volume 19 (8), 2009 Bioorg Med Chem Lett 2009 19327989
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Hunt F, Austin C, Austin R, Bonnert R, Cage P, Christie J,...
Hunt F, Austin C, Austin R, Bonnert R, Cage P, Christie J, Christie M, Dixon C, Hill S, Jewell R, Martin I, Robinson D, Willis P.
SAR studies on thiazolo[4,5-d]pyrimidine based CXCR2 antagonists involving a novel tandem displacement reaction. Hunt F, Austin C, Austin R, Bonnert R, Cage P, Christie J, Christie M, Dixon C, Hill S, Jewell R, Martin I, Robinson D, Willis P.: SAR studies on thiazolo[4,5-d]pyrimidine based CXCR2 antagonists involving a novel tandem displacement reaction. Bioorg Med Chem Lett, Volume 17 (10), 2007 Bioorg Med Chem Lett 2007 17382543
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Huque FT, Box K, Platts JA, Comer J.
Huque FT, Box K, Platts JA, Comer J.
Permeability through DOPC/dodecane membranes: measurement and LFER modelling. Huque FT, Box K, Platts JA, Comer J.: Permeability through DOPC/dodecane membranes: measurement and LFER modelling. Eur J Pharm Sci, Volume 23 (3), 223-232, 2004 Eur J Pharm Sci 2004 15489123
Total substances: 43
Total passive interactions: 43
Total active interactions: 0
Hurley CA, Blair WS, Bull RJ, Chang C, Crackett PH,...
Hurley CA, Blair WS, Bull RJ, Chang C, Crackett PH, Deshmukh G, Dyke HJ, Fong R, Ghilardi N, Gibbons P, Hewitt PR, Johnson A, Johnson T, Kenny JR, Kohli PB, Kulagowski JJ, Liimatta M, Lupardus PJ, Maxey RJ, Mendonca R, Narukulla R, Pulk R, Ubhayakar S, van Abbema A, Ward SI, Waszkowycz B, Zak M.
Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1. Hurley CA, Blair WS, Bull RJ, Chang C, Crackett PH, Deshmukh G, Dyke HJ, Fong R, Ghilardi N, Gibbons P, Hewitt PR, Johnson A, Johnson T, Kenny JR, Kohli PB, Kulagowski JJ, Liimatta M, Lupardus PJ, Maxey RJ, Mendonca R, Narukulla R, Pulk R, Ubhayakar S, van Abbema A, Ward SI, Waszkowycz B, Zak M.: Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1. Bioorg Med Chem Lett, Volume 23 (12), 2013 Bioorg Med Chem Lett 2013 23642482
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Hüsch J, Gerbeth K, Fricker G, Setzer C, Zirkel J, Rebmann...
Hüsch J, Gerbeth K, Fricker G, Setzer C, Zirkel J, Rebmann H, Schubert-Zsilavecz M, Abdel-Tawab M.
Effect of phospholipid-based formulations of Boswellia serrata extract on the solubility, permeability, and absorption... Hüsch J, Gerbeth K, Fricker G, Setzer C, Zirkel J, Rebmann H, Schubert-Zsilavecz M, Abdel-Tawab M.: Effect of phospholipid-based formulations of Boswellia serrata extract on the solubility, permeability, and absorption of the individual boswellic acid constituents present. J Nat Prod, Volume 75 (10), 2012 J Nat Prod 2012 23013292
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Huster D, Jin AJ, Arnold K, Gawrisch K.
Huster D, Jin AJ, Arnold K, Gawrisch K.
Water permeability of polyunsaturated lipid membranes measured by 17O NMR. Huster D, Jin AJ, Arnold K, Gawrisch K.: Water permeability of polyunsaturated lipid membranes measured by 17O NMR. Biophys J, Volume 73 (2), 855-864, 1997 Biophys J 1997 9251802
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Huynh T, Chen Z, Pang S, Geng J, Bandiera T, Bindi S,...
Huynh T, Chen Z, Pang S, Geng J, Bandiera T, Bindi S, Vianello P, Roletto F, Thieffine S, Galvani A, Vaccaro W, Poss MA, Trainor GL, Lorenzi MV, Gottardis M, Jayaraman L, Purandare AV.
Optimization of pyrazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1). Huynh T, Chen Z, Pang S, Geng J, Bandiera T, Bindi S, Vianello P, Roletto F, Thieffine S, Galvani A, Vaccaro W, Poss MA, Trainor GL, Lorenzi MV, Gottardis M, Jayaraman L, Purandare AV.: Optimization of pyrazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1). Bioorg Med Chem Lett, Volume 19 (11), 2009 Bioorg Med Chem Lett 2009 19419866
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Hwang JM, Oh T, Kaneko T, Upton AM, Franzblau SG, Ma Z, Cho...
Hwang JM, Oh T, Kaneko T, Upton AM, Franzblau SG, Ma Z, Cho SN, Kim P.
Design, synthesis, and structure-activity relationship studies of tryptanthrins as antitubercular agents. Hwang JM, Oh T, Kaneko T, Upton AM, Franzblau SG, Ma Z, Cho SN, Kim P.: Design, synthesis, and structure-activity relationship studies of tryptanthrins as antitubercular agents. J Nat Prod, Volume 76 (3), 2013 J Nat Prod 2013 23360475
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Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola...
Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.
Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009 J Med Chem 2009 19469546
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Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C,...
Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.
Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction... Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012 J Med Chem 2012 22324546
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Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu...
Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.
Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011 J Med Chem 2011 21910466
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Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC,...
Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.
Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013 J Med Chem 2013 23484493
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Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC,...
Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.
Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013 Bioorg Med Chem Lett 2013 23746473
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Hwang N, Sun L, Noe D, Lam PYS, Zhou T, Block TM, Du Y.
Hwang N, Sun L, Noe D, Lam PYS, Zhou T, Block TM, Du Y.
Hepatoselective Dihydroquinolizinone Bis-acids for HBsAg mRNA Degradation. Hwang N, Sun L, Noe D, Lam PYS, Zhou T, Block TM, Du Y.: Hepatoselective Dihydroquinolizinone Bis-acids for HBsAg mRNA Degradation. ACS Med Chem Lett, Volume 12 (7), 2021 ACS Med Chem Lett 2021 34267883
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Hynes J, Wu H, Kempson J, Duan JJ, Lu Z, Jiang B, Stachura...
Hynes J, Wu H, Kempson J, Duan JJ, Lu Z, Jiang B, Stachura S, Tokarski JS, Sack JS, Khan JA, Lippy JS, Zhang RF, Pitt S, Shen G, Gillooly K, McIntyre K, Carter PH, Barrish JC, Nadler SG, Salter-Cid LM, Fura A, Schieven GL, Pitts WJ, Wrobleski ST.
Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors. Hynes J, Wu H, Kempson J, Duan JJ, Lu Z, Jiang B, Stachura S, Tokarski JS, Sack JS, Khan JA, Lippy JS, Zhang RF, Pitt S, Shen G, Gillooly K, McIntyre K, Carter PH, Barrish JC, Nadler SG, Salter-Cid LM, Fura A, Schieven GL, Pitts WJ, Wrobleski ST.: Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors. Bioorg Med Chem Lett, Volume 27 (14), 2017 Bioorg Med Chem Lett 2017 28539220
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Hynes J, Wu H, Pitt S, Shen DR, Zhang R, Schieven GL,...
Hynes J, Wu H, Pitt S, Shen DR, Zhang R, Schieven GL, Gillooly KM, Shuster DJ, Taylor TL, Yang X, McIntyre KW, McKinnon M, Zhang H, Marathe PH, Doweyko AM, Kish K, Kiefer SE, Sack JS, Newitt JA, Barrish JC, Dodd J, Leftheris K.
The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A... Hynes J, Wu H, Pitt S, Shen DR, Zhang R, Schieven GL, Gillooly KM, Shuster DJ, Taylor TL, Yang X, McIntyre KW, McKinnon M, Zhang H, Marathe PH, Doweyko AM, Kish K, Kiefer SE, Sack JS, Newitt JA, Barrish JC, Dodd J, Leftheris K.: The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor. Bioorg Med Chem Lett, Volume 18 (6), 2008 Bioorg Med Chem Lett 2008 18313298
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Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa...
Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.
Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013 ACS Med Chem Lett 2013 24900605
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Ichida K, Hosoyamada M, Kimura H, Takeda M, Utsunomiya Y,...
Ichida K, Hosoyamada M, Kimura H, Takeda M, Utsunomiya Y, Hosoya T, Endou H.
Urate transport via human PAH transporter hOAT1 and its gene structure. Ichida K, Hosoyamada M, Kimura H, Takeda M, Utsunomiya Y, Hosoya T, Endou H.: Urate transport via human PAH transporter hOAT1 and its gene structure. Kidney Int, Volume 63 (1), 2003 Kidney Int 2003 12472777
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Igarashi H, Sato Y, Hamada S, Kawasaki T.
Igarashi H, Sato Y, Hamada S, Kawasaki T.
Studies on rabbit corneal permeability of local anesthetics (I). Igarashi H, Sato Y, Hamada S, Kawasaki T.: Studies on rabbit corneal permeability of local anesthetics (I). Jpn J Pharmacol, Volume 34 (4), 429-434, 1984 Jpn J Pharmacol 1984 6727077
Total substances: 3
Total passive interactions: 3
Total active interactions: 0
Igoe N, Bayle ED, Fedorov O, Tallant C, Savitsky P, Rogers...
Igoe N, Bayle ED, Fedorov O, Tallant C, Savitsky P, Rogers C, Owen DR, Deb G, Somervaille TC, Andrews DM, Jones N, Cheasty A, Ryder H, Brennan PE, Müller S, Knapp S, Fish PV.
Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins... Igoe N, Bayle ED, Fedorov O, Tallant C, Savitsky P, Rogers C, Owen DR, Deb G, Somervaille TC, Andrews DM, Jones N, Cheasty A, Ryder H, Brennan PE, Müller S, Knapp S, Fish PV.: Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies. J Med Chem, Volume 60 (2), 2017 J Med Chem 2017 28068087
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Igoe N, Bayle ED, Tallant C, Fedorov O, Meier JC, Savitsky...
Igoe N, Bayle ED, Tallant C, Fedorov O, Meier JC, Savitsky P, Rogers C, Morias Y, Scholze S, Boyd H, Cunoosamy D, Andrews DM, Cheasty A, Brennan PE, Müller S, Knapp S, Fish PV.
Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins. Igoe N, Bayle ED, Tallant C, Fedorov O, Meier JC, Savitsky P, Rogers C, Morias Y, Scholze S, Boyd H, Cunoosamy D, Andrews DM, Cheasty A, Brennan PE, Müller S, Knapp S, Fish PV.: Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins. J Med Chem, Volume 60 (16), 2017 J Med Chem 2017 28714688
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Iijima M, Momose I, Ikeda D.
Iijima M, Momose I, Ikeda D.
Increased ABCB1 expression in TP-110-resistant RPMI-8226 cells. Iijima M, Momose I, Ikeda D.: Increased ABCB1 expression in TP-110-resistant RPMI-8226 cells. Biosci Biotechnol Biochem, Volume 74 (9), 2010 Biosci Biotechnol Biochem 2010 20834157
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Iikubo K, Kurosawa K, Matsuya T, Kondoh Y, Kamikawa A,...
Iikubo K, Kurosawa K, Matsuya T, Kondoh Y, Kamikawa A, Moritomo A, Iwai Y, Tomiyama H, Shimada I.
Synthesis and structure-activity relationships of pyrazine-2-carboxamide derivatives as novel echinoderm... Iikubo K, Kurosawa K, Matsuya T, Kondoh Y, Kamikawa A, Moritomo A, Iwai Y, Tomiyama H, Shimada I.: Synthesis and structure-activity relationships of pyrazine-2-carboxamide derivatives as novel echinoderm microtubule-associated protein-like 4 (EML4)-anaplastic lymphoma kinase (ALK) inhibitors. Bioorg Med Chem, Volume 27 (8), 2019 Bioorg Med Chem 2019 30878193
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Ikegai K, Imamura M, Suzuki T, Nakanishi K, Murakami T,...
Ikegai K, Imamura M, Suzuki T, Nakanishi K, Murakami T, Kurosaki E, Noda A, Kobayashi Y, Yokota M, Koide T, Kosakai K, Ohkura Y, Takeuchi M, Tomiyama H, Ohta M.
Synthesis and biological evaluation of C-glucosides with azulene rings as selective SGLT2 inhibitors for the treatment... Ikegai K, Imamura M, Suzuki T, Nakanishi K, Murakami T, Kurosaki E, Noda A, Kobayashi Y, Yokota M, Koide T, Kosakai K, Ohkura Y, Takeuchi M, Tomiyama H, Ohta M.: Synthesis and biological evaluation of C-glucosides with azulene rings as selective SGLT2 inhibitors for the treatment of type 2 diabetes mellitus: discovery of YM543. Bioorg Med Chem, Volume 21 (13), 2013 Bioorg Med Chem 2013 23651509
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Ikegashira K, Oka T, Hirashima S, Noji S, Yamanaka H, Hara...
Ikegashira K, Oka T, Hirashima S, Noji S, Yamanaka H, Hara Y, Adachi T, Tsuruha J, Doi S, Hase Y, Noguchi T, Ando I, Ogura N, Ikeda S, Hashimoto H.
Discovery of conformationally constrained tetracyclic compounds as potent hepatitis C virus NS5B RNA polymerase... Ikegashira K, Oka T, Hirashima S, Noji S, Yamanaka H, Hara Y, Adachi T, Tsuruha J, Doi S, Hase Y, Noguchi T, Ando I, Ogura N, Ikeda S, Hashimoto H.: Discovery of conformationally constrained tetracyclic compounds as potent hepatitis C virus NS5B RNA polymerase inhibitors. J Med Chem, Volume 49 (24), 2006 J Med Chem 2006 17125247
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Iliás A, Urbán Z, Seidl TL, Le Saux O, Sinkó E, Boyd CD,...
Iliás A, Urbán Z, Seidl TL, Le Saux O, Sinkó E, Boyd CD, Sarkadi B, Váradi A.
Loss of ATP-dependent transport activity in pseudoxanthoma elasticum-associated mutants of human ABCC6 (MRP6). Iliás A, Urbán Z, Seidl TL, Le Saux O, Sinkó E, Boyd CD, Sarkadi B, Váradi A.: Loss of ATP-dependent transport activity in pseudoxanthoma elasticum-associated mutants of human ABCC6 (MRP6). J Biol Chem, Volume 277 (19), 2002 J Biol Chem 2002 11880368
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Imai Y, Asada S, Tsukahara S, Ishikawa E, Tsuruo T,...
Imai Y, Asada S, Tsukahara S, Ishikawa E, Tsuruo T, Sugimoto Y.
Breast cancer resistance protein exports sulfated estrogens but not free estrogens. Imai Y, Asada S, Tsukahara S, Ishikawa E, Tsuruo T, Sugimoto Y.: Breast cancer resistance protein exports sulfated estrogens but not free estrogens. Mol Pharmacol, Volume 64 (3), 2003 Mol Pharmacol 2003 12920197
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Imanishi M, Tomishima Y, Itou S, Hamashima H, Nakajima Y,...
Imanishi M, Tomishima Y, Itou S, Hamashima H, Nakajima Y, Washizuka K, Sakurai M, Matsui S, Imamura E, Ueshima K, Yamamoto T, Yamamoto N, Ishikawa H, Nakano K, Unami N, Hamada K, Matsumura Y, Takamura F, Hattori K.
Discovery of a novel series of biphenyl benzoic acid derivatives as potent and selective human beta3-adrenergic... Imanishi M, Tomishima Y, Itou S, Hamashima H, Nakajima Y, Washizuka K, Sakurai M, Matsui S, Imamura E, Ueshima K, Yamamoto T, Yamamoto N, Ishikawa H, Nakano K, Unami N, Hamada K, Matsumura Y, Takamura F, Hattori K.: Discovery of a novel series of biphenyl benzoic acid derivatives as potent and selective human beta3-adrenergic receptor agonists with good oral bioavailability. Part I. J Med Chem, Volume 51 (6), 2008 J Med Chem 2008 18307290
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Imperial JS, Chen P, Sporning A, Terlau H, Daly NL, Craik...
Imperial JS, Chen P, Sporning A, Terlau H, Daly NL, Craik DJ, Alewood PF, Olivera BM.
Tyrosine-rich conopeptides affect voltage-gated K+ channels. Imperial JS, Chen P, Sporning A, Terlau H, Daly NL, Craik DJ, Alewood PF, Olivera BM.: Tyrosine-rich conopeptides affect voltage-gated K+ channels. J Biol Chem, Volume 283 (34), 2008 J Biol Chem 2008 18505731
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Berka K, Juračka J, Šrejber M, Storchmannová K, Balouch M
Berka K, Juračka J, Šrejber M, Storchmannová K, Balouch M
in-house calculations in-house calculations COSMOperm in-house calculations 2018
Total substances: 420
Total passive interactions: 1081
Total active interactions: 0
Inazu M, Takeda H, Ikoshi H, Sugisawa M, Uchida Y,...
Inazu M, Takeda H, Ikoshi H, Sugisawa M, Uchida Y, Matsumiya T.
Pharmacological characterization and visualization of the glial serotonin transporter. Inazu M, Takeda H, Ikoshi H, Sugisawa M, Uchida Y, Matsumiya T.: Pharmacological characterization and visualization of the glial serotonin transporter. Neurochem Int, Volume 39 (1), 2001 Neurochem Int 2001 11311448
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F,...
Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F, Yeoh S, Boxall K, Westlake M, Pickard L, Hardy T, Baxter JE, Aherne GW, Bayliss R, Fry AM, Hoelder S.
Design of potent and selective hybrid inhibitors of the mitotic kinase Nek2: structure-activity relationship,... Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F, Yeoh S, Boxall K, Westlake M, Pickard L, Hardy T, Baxter JE, Aherne GW, Bayliss R, Fry AM, Hoelder S.: Design of potent and selective hybrid inhibitors of the mitotic kinase Nek2: structure-activity relationship, structural biology, and cellular activity. J Med Chem, Volume 55 (7), 2012 J Med Chem 2012 22404346
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Inoue T, Takemura M, Fushimi N, Fujimori Y, Onozato T,...
Inoue T, Takemura M, Fushimi N, Fujimori Y, Onozato T, Kurooka T, Asari T, Takeda H, Kobayashi M, Nishibe H, Isaji M.
Mizagliflozin, a novel selective SGLT1 inhibitor, exhibits potential in the amelioration of chronic constipation. Inoue T, Takemura M, Fushimi N, Fujimori Y, Onozato T, Kurooka T, Asari T, Takeda H, Kobayashi M, Nishibe H, Isaji M.: Mizagliflozin, a novel selective SGLT1 inhibitor, exhibits potential in the amelioration of chronic constipation. Eur J Pharmacol, Volume 806, 2017 Eur J Pharmacol 2017 28410751
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Irie T, Asami T, Sawa A, Uno Y, Taniyama C, Funakoshi Y,...
Irie T, Asami T, Sawa A, Uno Y, Taniyama C, Funakoshi Y, Masai H, Sawa M.
Discovery of AS-0141, a Potent and Selective Inhibitor of CDC7 Kinase for the Treatment of Solid Cancers. Irie T, Asami T, Sawa A, Uno Y, Taniyama C, Funakoshi Y, Masai H, Sawa M.: Discovery of AS-0141, a Potent and Selective Inhibitor of CDC7 Kinase for the Treatment of Solid Cancers. J Med Chem, Volume 64 (19), 2021 J Med Chem 2021 34607435
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Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW,...
Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.
MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. Irvine JD, Takahashi L, Lockhart K, Cheong J, Tolan JW, Selick HE, Grove JR.: MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. J Pharm Sci, Volume 88 (1), 28-33, 1999 J Pharm Sci 1999 9874698
Total substances: 54
Total passive interactions: 105
Total active interactions: 0
Ishiguro N, Maeda K, Saito A, Kishimoto W, Matsushima S,...
Ishiguro N, Maeda K, Saito A, Kishimoto W, Matsushima S, Ebner T, Roth W, Igarashi T, Sugiyama Y.
Establishment of a set of double transfectants coexpressing organic anion transporting polypeptide 1B3 and hepatic... Ishiguro N, Maeda K, Saito A, Kishimoto W, Matsushima S, Ebner T, Roth W, Igarashi T, Sugiyama Y.: Establishment of a set of double transfectants coexpressing organic anion transporting polypeptide 1B3 and hepatic efflux transporters for the characterization of the hepatobiliary transport of telmisartan acylglucuronide. Drug Metab Dispos, Volume 36 (4), 2008 Drug Metab Dispos 2008 18180273
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Ishiguro N, Shimizu H, Kishimoto W, Ebner T, Schaefer O.
Ishiguro N, Shimizu H, Kishimoto W, Ebner T, Schaefer O.
Evaluation and prediction of potential drug-drug interactions of linagliptin using in vitro cell culture methods. Ishiguro N, Shimizu H, Kishimoto W, Ebner T, Schaefer O.: Evaluation and prediction of potential drug-drug interactions of linagliptin using in vitro cell culture methods. Drug Metab Dispos, Volume 41 (1), 2013 Drug Metab Dispos 2013 23073734
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Islam I, Yuan S, Wei RG, Xu W, Morrissey M, Mohan R, Zheng...
Islam I, Yuan S, Wei RG, Xu W, Morrissey M, Mohan R, Zheng D, DiMella A, Dunning L, Snider M, Subramanyam B, Tseng JL, Bryant JA, Buckman BO.
Reversible, orally available ADP receptor (P2Y12) antagonists Part I: Hit to lead process. Islam I, Yuan S, Wei RG, Xu W, Morrissey M, Mohan R, Zheng D, DiMella A, Dunning L, Snider M, Subramanyam B, Tseng JL, Bryant JA, Buckman BO.: Reversible, orally available ADP receptor (P2Y12) antagonists Part I: Hit to lead process. Bioorg Med Chem Lett, Volume 28 (9), 2018 Bioorg Med Chem Lett 2018 29628327
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Ismair MG, Stanca C, Ha HR, Renner EL, Meier PJ,...
Ismair MG, Stanca C, Ha HR, Renner EL, Meier PJ, Kullak-Ublick GA.
Interactions of glycyrrhizin with organic anion transporting polypeptides of rat and human liver. Ismair MG, Stanca C, Ha HR, Renner EL, Meier PJ, Kullak-Ublick GA.: Interactions of glycyrrhizin with organic anion transporting polypeptides of rat and human liver. Hepatol Res, Volume 26 (4), 2003 Hepatol Res 2003 12963436
Total substances: 1
Total passive interactions: 0
Total active interactions: 4
Ismair MG, Stieger B, Cattori V, Hagenbuch B, Fried M,...
Ismair MG, Stieger B, Cattori V, Hagenbuch B, Fried M, Meier PJ, Kullak-Ublick GA.
Hepatic uptake of cholecystokinin octapeptide by organic anion-transporting polypeptides OATP4 and OATP8 of rat and... Ismair MG, Stieger B, Cattori V, Hagenbuch B, Fried M, Meier PJ, Kullak-Ublick GA.: Hepatic uptake of cholecystokinin octapeptide by organic anion-transporting polypeptides OATP4 and OATP8 of rat and human liver. Gastroenterology, Volume 121 (5), 2001 Gastroenterology 2001 11677211
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y,...
Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y, Egashira H, Matsumura N, Inoue A, Yonetomi Y, Fujita M, Nakayama Y, Takeuchi J.
Discovery of a potent, orally available dual CysLT₁ and CysLT₂ antagonist with dicarboxylic acid. Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y, Egashira H, Matsumura N, Inoue A, Yonetomi Y, Fujita M, Nakayama Y, Takeuchi J.: Discovery of a potent, orally available dual CysLT₁ and CysLT₂ antagonist with dicarboxylic acid. Bioorg Med Chem, Volume 23 (9), 2015 Bioorg Med Chem 2015 25800431
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Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A,...
Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.
Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015 J Med Chem 2015 26200813
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Itagaki S, Gopal E, Zhuang L, Fei YJ, Miyauchi S, Prasad...
Itagaki S, Gopal E, Zhuang L, Fei YJ, Miyauchi S, Prasad PD, Ganapathy V.
Interaction of ibuprofen and other structurally related NSAIDs with the sodium-coupled monocarboxylate transporter... Itagaki S, Gopal E, Zhuang L, Fei YJ, Miyauchi S, Prasad PD, Ganapathy V.: Interaction of ibuprofen and other structurally related NSAIDs with the sodium-coupled monocarboxylate transporter SMCT1 (SLC5A8). Pharm Res, Volume 23 (6), 2006 Pharm Res 2006 16729224
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Ito M, Iwatani M, Yamamoto T, Tanaka T, Kawamoto T,...
Ito M, Iwatani M, Yamamoto T, Tanaka T, Kawamoto T, Morishita D, Nakanishi A, Maezaki H.
Discovery of spiro[indole-3,2'-pyrrolidin]-2(1H)-one based inhibitors targeting Brr2, a core component of the U5 snRNP. Ito M, Iwatani M, Yamamoto T, Tanaka T, Kawamoto T, Morishita D, Nakanishi A, Maezaki H.: Discovery of spiro[indole-3,2'-pyrrolidin]-2(1H)-one based inhibitors targeting Brr2, a core component of the U5 snRNP. Bioorg Med Chem, Volume 25 (17), 2017 Bioorg Med Chem 2017 28751196
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Ito M, Tanaka T, Toita A, Uchiyama N, Kokubo H, Morishita...
Ito M, Tanaka T, Toita A, Uchiyama N, Kokubo H, Morishita N, Klein MG, Zou H, Murakami M, Kondo M, Sameshima T, Araki S, Endo S, Kawamoto T, Morin GB, Aparicio SA, Nakanishi A, Maezaki H, Imaeda Y.
Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective... Ito M, Tanaka T, Toita A, Uchiyama N, Kokubo H, Morishita N, Klein MG, Zou H, Murakami M, Kondo M, Sameshima T, Araki S, Endo S, Kawamoto T, Morin GB, Aparicio SA, Nakanishi A, Maezaki H, Imaeda Y.: Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J Med Chem, Volume 61 (17), 2018 J Med Chem 2018 30067358
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Ito S, Kusuhara H, Kuroiwa Y, Wu C, Moriyama Y, Inoue K,...
Ito S, Kusuhara H, Kuroiwa Y, Wu C, Moriyama Y, Inoue K, Kondo T, Yuasa H, Nakayama H, Horita S, Sugiyama Y.
Potent and specific inhibition of mMate1-mediated efflux of type I organic cations in the liver and kidney by... Ito S, Kusuhara H, Kuroiwa Y, Wu C, Moriyama Y, Inoue K, Kondo T, Yuasa H, Nakayama H, Horita S, Sugiyama Y.: Potent and specific inhibition of mMate1-mediated efflux of type I organic cations in the liver and kidney by pyrimethamine. J Pharmacol Exp Ther, Volume 333 (1), 2010 J Pharmacol Exp Ther 2010 20065018
Total substances: 1
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Total active interactions: 1
Itoh K, Kuramoto Y, Amano H, Kazamori D, Yazaki A.
Itoh K, Kuramoto Y, Amano H, Kazamori D, Yazaki A.
Discovery of WQ-3810: Design, synthesis, and evaluation of 7-(3-alkylaminoazetidin-1-yl)fluoro-quinolones as orally... Itoh K, Kuramoto Y, Amano H, Kazamori D, Yazaki A.: Discovery of WQ-3810: Design, synthesis, and evaluation of 7-(3-alkylaminoazetidin-1-yl)fluoro-quinolones as orally active antibacterial agents. Eur J Med Chem, Volume 103, 2015 Eur J Med Chem 2015 26363871
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Iwamoto T, Kita S.
Iwamoto T, Kita S.
YM-244769, a novel Na+/Ca2+ exchange inhibitor that preferentially inhibits NCX3, efficiently protects against... Iwamoto T, Kita S.: YM-244769, a novel Na+/Ca2+ exchange inhibitor that preferentially inhibits NCX3, efficiently protects against hypoxia/reoxygenation-induced SH-SY5Y neuronal cell damage. Mol Pharmacol, Volume 70 (6), 2006 Mol Pharmacol 2006 16973719
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Total passive interactions: 0
Total active interactions: 1
Iwamura R, Tanaka M, Okanari E, Kirihara T, Odani-Kawabata...
Iwamura R, Tanaka M, Okanari E, Kirihara T, Odani-Kawabata N, Shams N, Yoneda K.
Identification of a Selective, Non-Prostanoid EP2 Receptor Agonist for the Treatment of Glaucoma: Omidenepag and its... Iwamura R, Tanaka M, Okanari E, Kirihara T, Odani-Kawabata N, Shams N, Yoneda K.: Identification of a Selective, Non-Prostanoid EP2 Receptor Agonist for the Treatment of Glaucoma: Omidenepag and its Prodrug Omidenepag Isopropyl. J Med Chem, Volume 61 (15), 2018 J Med Chem 2018 29995405
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Iwata Y, Ando K, Taniguchi K, Koba N, Sugiura A, Sudo M.
Iwata Y, Ando K, Taniguchi K, Koba N, Sugiura A, Sudo M.
Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome. Iwata Y, Ando K, Taniguchi K, Koba N, Sugiura A, Sudo M.: Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome. Bioorg Med Chem Lett, Volume 25 (2), 2015 Bioorg Med Chem Lett 2015 25499880
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Iwatani-Yoshihara M, Ito M, Klein MG, Yamamoto T, Yonemori...
Iwatani-Yoshihara M, Ito M, Klein MG, Yamamoto T, Yonemori K, Tanaka T, Miwa M, Morishita D, Endo S, Tjhen R, Qin L, Nakanishi A, Maezaki H, Kawamoto T.
Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. Iwatani-Yoshihara M, Ito M, Klein MG, Yamamoto T, Yonemori K, Tanaka T, Miwa M, Morishita D, Endo S, Tjhen R, Qin L, Nakanishi A, Maezaki H, Kawamoto T.: Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. J Med Chem, Volume 60 (13), 2017 J Med Chem 2017 28586220
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Jagtap AD, Chang PT, Liu JR, Wang HC, Kondekar NB, Shen LJ,...
Jagtap AD, Chang PT, Liu JR, Wang HC, Kondekar NB, Shen LJ, Tseng HW, Chen GS, Chern JW.
Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia. Jagtap AD, Chang PT, Liu JR, Wang HC, Kondekar NB, Shen LJ, Tseng HW, Chen GS, Chern JW.: Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia. Eur J Med Chem, Volume 85, 2014 Eur J Med Chem 2014 25089810
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Jahangir A, Alam M, Carter DS, Dillon MP, Bois DJ, Ford AP,...
Jahangir A, Alam M, Carter DS, Dillon MP, Bois DJ, Ford AP, Gever JR, Lin C, Wagner PJ, Zhai Y, Zira J.
Identification and SAR of novel diaminopyrimidines. Part 2: The discovery of RO-51, a potent and selective, dual... Jahangir A, Alam M, Carter DS, Dillon MP, Bois DJ, Ford AP, Gever JR, Lin C, Wagner PJ, Zhai Y, Zira J.: Identification and SAR of novel diaminopyrimidines. Part 2: The discovery of RO-51, a potent and selective, dual P2X(3)/P2X(2/3) antagonist for the treatment of pain. Bioorg Med Chem Lett, Volume 19 (6), 2009 Bioorg Med Chem Lett 2009 19231178
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Jain SK, Singh S, Khajuria A, Guru SK, Joshi P, Meena S,...
Jain SK, Singh S, Khajuria A, Guru SK, Joshi P, Meena S, Nadkarni JR, Singh A, Bharate SS, Bhushan S, Bharate SB, Vishwakarma RA.
Pyrano-isochromanones as IL-6 inhibitors: synthesis, in vitro and in vivo antiarthritic activity. Jain SK, Singh S, Khajuria A, Guru SK, Joshi P, Meena S, Nadkarni JR, Singh A, Bharate SS, Bhushan S, Bharate SB, Vishwakarma RA.: Pyrano-isochromanones as IL-6 inhibitors: synthesis, in vitro and in vivo antiarthritic activity. J Med Chem, Volume 57 (16), 2014 J Med Chem 2014 25111439
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James CA, DeRoy P, Duplessis M, Edwards PJ, Halmos T,...
James CA, DeRoy P, Duplessis M, Edwards PJ, Halmos T, Minville J, Morency L, Morin S, Simoneau B, Tremblay M, Bethell R, Cordingley M, Duan J, Lamorte L, Pelletier A, Rajotte D, Salois P, Tremblay S, Sturino CF.
Nucleotide competing reverse transcriptase inhibitors: discovery of a series of non-basic... James CA, DeRoy P, Duplessis M, Edwards PJ, Halmos T, Minville J, Morency L, Morin S, Simoneau B, Tremblay M, Bethell R, Cordingley M, Duan J, Lamorte L, Pelletier A, Rajotte D, Salois P, Tremblay S, Sturino CF.: Nucleotide competing reverse transcriptase inhibitors: discovery of a series of non-basic benzofurano[3,2-d]pyrimidin-2-one derived inhibitors. Bioorg Med Chem Lett, Volume 23 (9), 2013 Bioorg Med Chem Lett 2013 23545107
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Jamieson C, Basten S, Campbell RA, Cumming IA, Gillen KJ,...
Jamieson C, Basten S, Campbell RA, Cumming IA, Gillen KJ, Gillespie J, Kazemier B, Kiczun M, Lamont Y, Lyons AJ, Maclean JK, Moir EM, Morrow JA, Papakosta M, Rankovic Z, Smith L.
A novel series of positive modulators of the AMPA receptor: discovery and structure based hit-to-lead studies. Jamieson C, Basten S, Campbell RA, Cumming IA, Gillen KJ, Gillespie J, Kazemier B, Kiczun M, Lamont Y, Lyons AJ, Maclean JK, Moir EM, Morrow JA, Papakosta M, Rankovic Z, Smith L.: A novel series of positive modulators of the AMPA receptor: discovery and structure based hit-to-lead studies. Bioorg Med Chem Lett, Volume 20 (19), 2010 Bioorg Med Chem Lett 2010 20805031
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Jamieson C, Maclean JK, Brown CI, Campbell RA, Gillen KJ,...
Jamieson C, Maclean JK, Brown CI, Campbell RA, Gillen KJ, Gillespie J, Kazemier B, Kiczun M, Lamont Y, Lyons AJ, Moir EM, Morrow JA, Pantling J, Rankovic Z, Smith L.
Structure based evolution of a novel series of positive modulators of the AMPA receptor. Jamieson C, Maclean JK, Brown CI, Campbell RA, Gillen KJ, Gillespie J, Kazemier B, Kiczun M, Lamont Y, Lyons AJ, Moir EM, Morrow JA, Pantling J, Rankovic Z, Smith L.: Structure based evolution of a novel series of positive modulators of the AMPA receptor. Bioorg Med Chem Lett, Volume 21 (2), 2011 Bioorg Med Chem Lett 2011 21190850
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Jankowska L. M., Bae-Ilan A., & Maren T. H.
Jankowska L. M., Bae-Ilan A., & Maren T. H.
The relations between ionic and non-ionic diffusion of sulfonamides across the rabbit cornea. Jankowska L. M., Bae-Ilan A., & Maren T. H.: The relations between ionic and non-ionic diffusion of sulfonamides across the rabbit cornea. Investig. Ophthalmol. Vis. Sci. 27, 29–37, 1986. Investig. Ophthalmol. Vis. Sci. 1986 3941035
Total substances: 3
Total passive interactions: 3
Total active interactions: 0
Aafke W F Janssen, Loes P M Duivenvoorde, Karsten Beekmann,...
Aafke W F Janssen, Loes P M Duivenvoorde, Karsten Beekmann, Nicole Pinckaers, Bart van der Hee, Annelies Noorlander, Liz L Leenders, Jochem Louisse, Meike van der Zande
Transport of perfluoroalkyl substances across human induced pluripotent stem cell-derived intestinal epithelial cells... Janssen AWF, Duivenvoorde LPM, Beekmann K, Pinckaers N, van der Hee B, Noorlander A, Leenders LL, Louisse J, van der Zande M. Transport of perfluoroalkyl substances across human induced pluripotent stem cell-derived intestinal epithelial cells in comparison with primary human intestinal epithelial cells and Caco-2 cells. Arch Toxicol. 2024 Nov;98(11):3777-3795. Archives of Toxicology 2024 39215840
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Jantos K, Kling A, Mack H, Hornberger W, Moeller A,...
Jantos K, Kling A, Mack H, Hornberger W, Moeller A, Nimmrich V, Lao Y, Nijsen M.
Discovery of ABT-957: 1-Benzyl-5-oxopyrrolidine-2-carboxamides as selective calpain inhibitors with enhanced metabolic... Jantos K, Kling A, Mack H, Hornberger W, Moeller A, Nimmrich V, Lao Y, Nijsen M.: Discovery of ABT-957: 1-Benzyl-5-oxopyrrolidine-2-carboxamides as selective calpain inhibitors with enhanced metabolic stability. Bioorg Med Chem Lett, Volume 29 (15), 2019 Bioorg Med Chem Lett 2019 31133534
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Jarrad AM, Ang CW, Debnath A, Hahn HJ, Woods K, Tan L,...
Jarrad AM, Ang CW, Debnath A, Hahn HJ, Woods K, Tan L, Sykes ML, Jones AJ, Pelingon R, Butler MS, Avery VM, West NP, Karoli T, Blaskovich MAT, Cooper MA.
Design, Synthesis, and Biological Evaluation of 2-Nitroimidazopyrazin-one/-es with Antitubercular and Antiparasitic... Jarrad AM, Ang CW, Debnath A, Hahn HJ, Woods K, Tan L, Sykes ML, Jones AJ, Pelingon R, Butler MS, Avery VM, West NP, Karoli T, Blaskovich MAT, Cooper MA.: Design, Synthesis, and Biological Evaluation of 2-Nitroimidazopyrazin-one/-es with Antitubercular and Antiparasitic Activity. J Med Chem, Volume 61 (24), 2018 J Med Chem 2018 30468386
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Jarvis MF, Honore P, Shieh CC, Chapman M, Joshi S, Zhang...
Jarvis MF, Honore P, Shieh CC, Chapman M, Joshi S, Zhang XF, Kort M, Carroll W, Marron B, Atkinson R, Thomas J, Liu D, Krambis M, Liu Y, McGaraughty S, Chu K, Roeloffs R, Zhong C, Mikusa JP, Hernandez G, Gauvin D, Wade C, Zhu C, Pai M, Scanio M, Shi L, Drizin I, Gregg R, Matulenko M, Hakeem A, Gross M, Johnson M, Marsh K, Wagoner PK, Sullivan JP, Faltynek CR, Krafte DS.
A-803467, a potent and selective Nav1.8 sodium channel blocker, attenuates neuropathic and inflammatory pain in the rat. Jarvis MF, Honore P, Shieh CC, Chapman M, Joshi S, Zhang XF, Kort M, Carroll W, Marron B, Atkinson R, Thomas J, Liu D, Krambis M, Liu Y, McGaraughty S, Chu K, Roeloffs R, Zhong C, Mikusa JP, Hernandez G, Gauvin D, Wade C, Zhu C, Pai M, Scanio M, Shi L, Drizin I, Gregg R, Matulenko M, Hakeem A, Gross M, Johnson M, Marsh K, Wagoner PK, Sullivan JP, Faltynek CR, Krafte DS.: A-803467, a potent and selective Nav1.8 sodium channel blocker, attenuates neuropathic and inflammatory pain in the rat. Proc Natl Acad Sci U S A, Volume 104 (20), 2007 Proc Natl Acad Sci U S A 2007 17483457
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Total active interactions: 1
Jeannot F, Taillier T, Despeyroux P, Renard S, Rey A,...
Jeannot F, Taillier T, Despeyroux P, Renard S, Rey A, Mourez M, Poeverlein C, Khichane I, Perrin MA, Versluys S, Stavenger RA, Huang J, Germe T, Maxwell A, Cao S, Huseby DL, Hughes D, Bacqué E.
Imidazopyrazinones (IPYs): Non-Quinolone Bacterial Topoisomerase Inhibitors Showing Partial Cross-Resistance with... Jeannot F, Taillier T, Despeyroux P, Renard S, Rey A, Mourez M, Poeverlein C, Khichane I, Perrin MA, Versluys S, Stavenger RA, Huang J, Germe T, Maxwell A, Cao S, Huseby DL, Hughes D, Bacqué E.: Imidazopyrazinones (IPYs): Non-Quinolone Bacterial Topoisomerase Inhibitors Showing Partial Cross-Resistance with Quinolones. J Med Chem, Volume 61 (8), 2018 J Med Chem 2018 29596745
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Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA,...
Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.
Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018 ACS Med Chem Lett 2018 29456793
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Jecs E, Tahirovic YA, Wilson RJ, Miller EJ, Kim M, Truax V,...
Jecs E, Tahirovic YA, Wilson RJ, Miller EJ, Kim M, Truax V, Nguyen HH, Akins NS, Saindane M, Wang T, Sum CS, Cvijic ME, Schroeder GM, Burton SL, Derdeyn CA, Xu L, Jiang Y, Wilson LJ, Liotta DC.
Synthesis and Evaluation of Novel Tetrahydronaphthyridine CXCR4 Antagonists with Improved Drug-like Profiles. Jecs E, Tahirovic YA, Wilson RJ, Miller EJ, Kim M, Truax V, Nguyen HH, Akins NS, Saindane M, Wang T, Sum CS, Cvijic ME, Schroeder GM, Burton SL, Derdeyn CA, Xu L, Jiang Y, Wilson LJ, Liotta DC.: Synthesis and Evaluation of Novel Tetrahydronaphthyridine CXCR4 Antagonists with Improved Drug-like Profiles. J Med Chem, Volume 65 (5), 2022 J Med Chem 2022 35179893
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Jedlitschky G, Burchell B, Keppler D.
Jedlitschky G, Burchell B, Keppler D.
The multidrug resistance protein 5 functions as an ATP-dependent export pump for cyclic nucleotides. Jedlitschky G, Burchell B, Keppler D.: The multidrug resistance protein 5 functions as an ATP-dependent export pump for cyclic nucleotides. J Biol Chem, Volume 275 (39), 2000 J Biol Chem 2000 10893247
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Total active interactions: 1
Jedlitschky G, Leier I, Buchholz U, Hummel-Eisenbeiss J,...
Jedlitschky G, Leier I, Buchholz U, Hummel-Eisenbeiss J, Burchell B, Keppler D.
ATP-dependent transport of bilirubin glucuronides by the multidrug resistance protein MRP1 and its hepatocyte... Jedlitschky G, Leier I, Buchholz U, Hummel-Eisenbeiss J, Burchell B, Keppler D.: ATP-dependent transport of bilirubin glucuronides by the multidrug resistance protein MRP1 and its hepatocyte canalicular isoform MRP2. Biochem J, Volume 327 ( Pt 1), 1997 Biochem J 1997 9355767
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Total passive interactions: 0
Total active interactions: 2
Jenkins TJ, Guan B, Dai M, Li G, Lightburn TE, Huang S,...
Jenkins TJ, Guan B, Dai M, Li G, Lightburn TE, Huang S, Freeze BS, Burdi DF, Jacutin-Porte S, Bennett R, Chen W, Minor C, Ghosh S, Blackburn C, Gigstad KM, Jones M, Kolbeck R, Yin W, Smith S, Cardillo D, Ocain TD, Harriman GC.
Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8. Jenkins TJ, Guan B, Dai M, Li G, Lightburn TE, Huang S, Freeze BS, Burdi DF, Jacutin-Porte S, Bennett R, Chen W, Minor C, Ghosh S, Blackburn C, Gigstad KM, Jones M, Kolbeck R, Yin W, Smith S, Cardillo D, Ocain TD, Harriman GC.: Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8. J Med Chem, Volume 50 (3), 2007 J Med Chem 2007 17266208
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Jensen NH, Rodriguiz RM, Caron MG, Wetsel WC, Rothman RB,...
Jensen NH, Rodriguiz RM, Caron MG, Wetsel WC, Rothman RB, Roth BL.
N-desalkylquetiapine, a potent norepinephrine reuptake inhibitor and partial 5-HT1A agonist, as a putative mediator of... Jensen NH, Rodriguiz RM, Caron MG, Wetsel WC, Rothman RB, Roth BL.: N-desalkylquetiapine, a potent norepinephrine reuptake inhibitor and partial 5-HT1A agonist, as a putative mediator of quetiapine's antidepressant activity. Neuropsychopharmacology, Volume 33 (10), 2008 Neuropsychopharmacology 2008 18059438
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Jeon JE, Liao L, Kim H, Sim CJ, Oh DC, Oh KB, Shin J.
Jeon JE, Liao L, Kim H, Sim CJ, Oh DC, Oh KB, Shin J.
Cytotoxic diterpenoid pseudodimers from the Korean sponge Phorbas gukhulensis. Jeon JE, Liao L, Kim H, Sim CJ, Oh DC, Oh KB, Shin J.: Cytotoxic diterpenoid pseudodimers from the Korean sponge Phorbas gukhulensis. J Nat Prod, Volume 76 (9), 2013 J Nat Prod 2013 24025124
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Total passive interactions: 0
Total active interactions: 7
Jeong HC, Park NJ, Chae CH, Musilek K, Kassa J, Kuca K,...
Jeong HC, Park NJ, Chae CH, Musilek K, Kassa J, Kuca K, Jung YS.
Fluorinated pyridinium oximes as potential reactivators for acetylcholinesterases inhibited by paraoxon... Jeong HC, Park NJ, Chae CH, Musilek K, Kassa J, Kuca K, Jung YS.: Fluorinated pyridinium oximes as potential reactivators for acetylcholinesterases inhibited by paraoxon organophosphorus agent. Bioorg Med Chem, Volume 17 (17), 2009 Bioorg Med Chem 2009 19665386
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Jesus AR, Vila-Viçosa D, Machuqueiro M, Marques AP, Dore...
Jesus AR, Vila-Viçosa D, Machuqueiro M, Marques AP, Dore TM, Rauter AP.
Targeting Type 2 Diabetes with C-Glucosyl Dihydrochalcones as Selective Sodium Glucose Co-Transporter 2 (SGLT2)... Jesus AR, Vila-Viçosa D, Machuqueiro M, Marques AP, Dore TM, Rauter AP.: Targeting Type 2 Diabetes with C-Glucosyl Dihydrochalcones as Selective Sodium Glucose Co-Transporter 2 (SGLT2) Inhibitors: Synthesis and Biological Evaluation. J Med Chem, Volume 60 (2), 2017 J Med Chem 2017 28098449
Total substances: 6
Total passive interactions: 0
Total active interactions: 10
Jiang B, Sun X, Cao K, Wang R.
Jiang B, Sun X, Cao K, Wang R.
Endogenous Kv channels in human embryonic kidney (HEK-293) cells. Jiang B, Sun X, Cao K, Wang R.: Endogenous Kv channels in human embryonic kidney (HEK-293) cells. Mol Cell Biochem, Volume 238 (1-2), 2002 Mol Cell Biochem 2002 12349911
Total substances: 1
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Total active interactions: 1
Jiang F, Guo AP, Xu JC, Wang HJ, Mo XF, You QD, Xu XL.
Jiang F, Guo AP, Xu JC, Wang HJ, Mo XF, You QD, Xu XL.
Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors. Jiang F, Guo AP, Xu JC, Wang HJ, Mo XF, You QD, Xu XL.: Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors. Eur J Med Chem, Volume 141, 2017 Eur J Med Chem 2017 29028527
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Jiang F, Hu Q, Zhang Z, Li H, Li H, Zhang D, Li H, Ma Y, Xu...
Jiang F, Hu Q, Zhang Z, Li H, Li H, Zhang D, Li H, Ma Y, Xu J, Chen H, Cui Y, Zhi Y, Zhang Y, Xu J, Zhu J, Lu T, Chen Y.
Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as... Jiang F, Hu Q, Zhang Z, Li H, Li H, Zhang D, Li H, Ma Y, Xu J, Chen H, Cui Y, Zhi Y, Zhang Y, Xu J, Zhu J, Lu T, Chen Y.: Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis. J Med Chem, Volume 62 (24), 2019 J Med Chem 2019 31789032
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Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D,...
Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.
Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved... Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.: Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties. Bioorg Med Chem, Volume 24 (21), 2016 Bioorg Med Chem 2016 27647369
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Jiang F, Wang HJ, Jin YH, Zhang Q, Wang ZH, Jia JM, Liu F,...
Jiang F, Wang HJ, Jin YH, Zhang Q, Wang ZH, Jia JM, Liu F, Wang L, Bao QC, Li DD, You QD, Xu XL.
Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90. Jiang F, Wang HJ, Jin YH, Zhang Q, Wang ZH, Jia JM, Liu F, Wang L, Bao QC, Li DD, You QD, Xu XL.: Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90. J Med Chem, Volume 59 (23), 2016 J Med Chem 2016 27933959
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Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ,...
Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.
Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018 Bioorg Med Chem Lett 2018 30227946
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Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.
Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.
Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the... Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018 Eur J Med Chem 2018 29407958
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Jiang W, Fiordeliso JJ, Allan G, Linton O, Tannenbaum P, Xu...
Jiang W, Fiordeliso JJ, Allan G, Linton O, Tannenbaum P, Xu J, Zhu P, Gunnet J, Demarest K, Lundeen S, Sui Z.
Discovery of novel phosphorus-containing steroids as selective glucocorticoid receptor antagonist. Jiang W, Fiordeliso JJ, Allan G, Linton O, Tannenbaum P, Xu J, Zhu P, Gunnet J, Demarest K, Lundeen S, Sui Z.: Discovery of novel phosphorus-containing steroids as selective glucocorticoid receptor antagonist. Bioorg Med Chem Lett, Volume 17 (5), 2007 Bioorg Med Chem Lett 2007 17258455
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Jiang W, Tran JA, Tucci FC, Fleck BA, Hoare SR, Markison S,...
Jiang W, Tran JA, Tucci FC, Fleck BA, Hoare SR, Markison S, Wen J, Chen CW, Marinkovic D, Arellano M, Foster AC, Chen C.
Synthesis and characterization of pyrrolidine derivatives as potent agonists of the human melanocortin-4 receptor. Jiang W, Tran JA, Tucci FC, Fleck BA, Hoare SR, Markison S, Wen J, Chen CW, Marinkovic D, Arellano M, Foster AC, Chen C.: Synthesis and characterization of pyrrolidine derivatives as potent agonists of the human melanocortin-4 receptor. Bioorg Med Chem Lett, Volume 17 (23), 2007 Bioorg Med Chem Lett 2007 17933528
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Jiang W, Tucci FC, Tran JA, Fleck BA, Wen J, Markison S,...
Jiang W, Tucci FC, Tran JA, Fleck BA, Wen J, Markison S, Marinkovic D, Chen CW, Arellano M, Hoare SR, Johns M, Foster AC, Saunders J, Chen C.
Pyrrolidinones as potent functional antagonists of the human melanocortin-4 receptor. Jiang W, Tucci FC, Tran JA, Fleck BA, Wen J, Markison S, Marinkovic D, Chen CW, Arellano M, Hoare SR, Johns M, Foster AC, Saunders J, Chen C.: Pyrrolidinones as potent functional antagonists of the human melanocortin-4 receptor. Bioorg Med Chem Lett, Volume 17 (20), 2007 Bioorg Med Chem Lett 2007 17822895
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Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M,...
Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.
Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012 J Med Chem 2012 22519985
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Jiang Z, Liu X, Yuan Z, He H, Wang J, Zhang X, Gong Z, Hou...
Jiang Z, Liu X, Yuan Z, He H, Wang J, Zhang X, Gong Z, Hou L, Shen L, Guo F, Zhang J, Wang J, Xu D, Liu Z, Li H, Chen X, Long C, Li J, Chen S.
Discovery of a Novel Selective Dual Peroxisome Proliferator-Activated Receptor α/δ Agonist for the Treatment of... Jiang Z, Liu X, Yuan Z, He H, Wang J, Zhang X, Gong Z, Hou L, Shen L, Guo F, Zhang J, Wang J, Xu D, Liu Z, Li H, Chen X, Long C, Li J, Chen S.: Discovery of a Novel Selective Dual Peroxisome Proliferator-Activated Receptor α/δ Agonist for the Treatment of Primary Biliary Cirrhosis. ACS Med Chem Lett, Volume 10 (7), 2019 ACS Med Chem Lett 2019 31312410
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Jiao GS, Kim S, Moayeri M, Crown D, Thai A,...
Jiao GS, Kim S, Moayeri M, Crown D, Thai A, Cregar-Hernandez L, McKasson L, Sankaran B, Lehrer A, Wong T, Johns L, Margosiak SA, Leppla SH, Johnson AT.
Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the... Jiao GS, Kim S, Moayeri M, Crown D, Thai A, Cregar-Hernandez L, McKasson L, Sankaran B, Lehrer A, Wong T, Johns L, Margosiak SA, Leppla SH, Johnson AT.: Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the C2-side chain. Bioorg Med Chem Lett, Volume 22 (6), 2012 Bioorg Med Chem Lett 2012 22342144
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Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L,...
Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.
Small molecule inhibitors of anthrax edema factor. Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018 Bioorg Med Chem Lett 2018 29198864
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Jimenez JM, Davis C, Boyall D, Fraysse D, Knegtel R,...
Jimenez JM, Davis C, Boyall D, Fraysse D, Knegtel R, Settimo L, Young S, Bolton C, Chiu P, Curnock A, Rasmussen R, Tanner A, Ager I.
Structure-based optimization of aminopyridines as PKCθ inhibitors. Jimenez JM, Davis C, Boyall D, Fraysse D, Knegtel R, Settimo L, Young S, Bolton C, Chiu P, Curnock A, Rasmussen R, Tanner A, Ager I.: Structure-based optimization of aminopyridines as PKCθ inhibitors. Bioorg Med Chem Lett, Volume 22 (14), 2012 Bioorg Med Chem Lett 2012 22738630
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Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng...
Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng L, Bittner MA, Kadalbajoo M, Landfair D, Siu KW, Stolz KM, Werner DS, Laufer RS, Li AH, Dong H, Steinig AG, Kleinberg A, Yao Y, Pachter JA, Wild R, Mulvihill MJ.
Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng L, Bittner MA, Kadalbajoo M, Landfair D, Siu KW, Stolz KM, Werner DS, Laufer RS, Li AH, Dong H, Steinig AG, Kleinberg A, Yao Y, Pachter JA, Wild R, Mulvihill MJ.: Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. ACS Med Chem Lett, Volume 1 (9), 2010 ACS Med Chem Lett 2010 24900240
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Jin M, Kleinberg A, Cooke A, Gokhale PC, Foreman K, Dong H,...
Jin M, Kleinberg A, Cooke A, Gokhale PC, Foreman K, Dong H, Siu KW, Bittner MA, Mulvihill KM, Yao Y, Landfair D, O'Connor M, Mak G, Pachter JA, Wild R, Rosenfeld-Franklin M, Ji Q, Mulvihill MJ.
Potent and selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors with in vivo... Jin M, Kleinberg A, Cooke A, Gokhale PC, Foreman K, Dong H, Siu KW, Bittner MA, Mulvihill KM, Yao Y, Landfair D, O'Connor M, Mak G, Pachter JA, Wild R, Rosenfeld-Franklin M, Ji Q, Mulvihill MJ.: Potent and selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors with in vivo efficacy. Bioorg Med Chem Lett, Volume 21 (4), 2011 Bioorg Med Chem Lett 2011 21251824
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Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong...
Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.
Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug... Jin X, Luong TL, Reese N, Gaona H, Collazo-Velez V, Vuong C, Potter B, Sousa JC, Olmeda R, Li Q, Xie L, Zhang J, Zhang P, Reichard G, Melendez V, Marcsisin SR, Pybus BS.: Comparison of MDCK-MDR1 and Caco-2 cell based permeability assays for anti-malarial drug screening and drug investigations. J Pharmacol Toxicol Methods, Volume 70 (2), 188-194, 2014 J Pharmacol Toxicol Methods 2014 25150934
Total substances: 6
Total passive interactions: 9
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Jing YR, Zhou W, Li WL, Zhao LX, Wang YF.
Jing YR, Zhou W, Li WL, Zhao LX, Wang YF.
The synthesis of novel taxoids for oral administration. Jing YR, Zhou W, Li WL, Zhao LX, Wang YF.: The synthesis of novel taxoids for oral administration. Bioorg Med Chem, Volume 22 (1), 2014 Bioorg Med Chem 2014 24332858
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Jo MN, Seo HJ, Kim Y, Seo SH, Rhim H, Cho YS, Cha JH, Koh...
Jo MN, Seo HJ, Kim Y, Seo SH, Rhim H, Cho YS, Cha JH, Koh HY, Choo H, Pae AN.
Novel T-type calcium channel blockers: dioxoquinazoline carboxamide derivatives. Jo MN, Seo HJ, Kim Y, Seo SH, Rhim H, Cho YS, Cha JH, Koh HY, Choo H, Pae AN.: Novel T-type calcium channel blockers: dioxoquinazoline carboxamide derivatives. Bioorg Med Chem, Volume 15 (1), 2007 Bioorg Med Chem 2007 17035033
Total substances: 1
Total passive interactions: 0
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Jo S, Bean BP.
Jo S, Bean BP.
Lidocaine Binding Enhances Inhibition of Nav1.7 Channels by the Sulfonamide PF-05089771. Jo S, Bean BP.: Lidocaine Binding Enhances Inhibition of Nav1.7 Channels by the Sulfonamide PF-05089771. Mol Pharmacol, Volume 97 (6), 2020 Mol Pharmacol 2020 32193331
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Total active interactions: 1
Johannes JW, Almeida L, Daly K, Ferguson AD, Grosskurth SE,...
Johannes JW, Almeida L, Daly K, Ferguson AD, Grosskurth SE, Guan H, Howard T, Ioannidis S, Kazmirski S, Lamb ML, Larsen NA, Lyne PD, Mikule K, Ogoe C, Peng B, Petteruti P, Read JA, Su N, Sylvester M, Throner S, Wang W, Wang X, Wu J, Ye Q, Yu Y, Zheng X, Scott DA.
Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Johannes JW, Almeida L, Daly K, Ferguson AD, Grosskurth SE, Guan H, Howard T, Ioannidis S, Kazmirski S, Lamb ML, Larsen NA, Lyne PD, Mikule K, Ogoe C, Peng B, Petteruti P, Read JA, Su N, Sylvester M, Throner S, Wang W, Wang X, Wu J, Ye Q, Yu Y, Zheng X, Scott DA.: Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg Med Chem Lett, Volume 25 (24), 2015 Bioorg Med Chem Lett 2015 26546219
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Johansson A, Löfberg C, Antonsson M, von Unge S, Hayes MA,...
Johansson A, Löfberg C, Antonsson M, von Unge S, Hayes MA, Judkins R, Ploj K, Benthem L, Lindén D, Brodin P, Wennerberg M, Fredenwall M, Li L, Persson J, Bergman R, Pettersen A, Gennemark P, Hogner A.
Discovery of... Johansson A, Löfberg C, Antonsson M, von Unge S, Hayes MA, Judkins R, Ploj K, Benthem L, Lindén D, Brodin P, Wennerberg M, Fredenwall M, Li L, Persson J, Bergman R, Pettersen A, Gennemark P, Hogner A.: Discovery of (3-(4-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone (AZD1979), a Melanin Concentrating Hormone Receptor 1 (MCHr1) Antagonist with Favorable Physicochemical Properties. J Med Chem, Volume 59 (6), 2016 J Med Chem 2016 26741166
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Johns BA, Kawasuji T, Weatherhead JG, Taishi T, Temelkoff...
Johns BA, Kawasuji T, Weatherhead JG, Taishi T, Temelkoff DP, Yoshida H, Akiyama T, Taoda Y, Murai H, Kiyama R, Fuji M, Tanimoto N, Jeffrey J, Foster SA, Yoshinaga T, Seki T, Kobayashi M, Sato A, Johnson MN, Garvey EP, Fujiwara T.
Carbamoyl pyridone HIV-1 integrase inhibitors 3. A diastereomeric approach to chiral nonracemic tricyclic ring systems... Johns BA, Kawasuji T, Weatherhead JG, Taishi T, Temelkoff DP, Yoshida H, Akiyama T, Taoda Y, Murai H, Kiyama R, Fuji M, Tanimoto N, Jeffrey J, Foster SA, Yoshinaga T, Seki T, Kobayashi M, Sato A, Johnson MN, Garvey EP, Fujiwara T.: Carbamoyl pyridone HIV-1 integrase inhibitors 3. A diastereomeric approach to chiral nonracemic tricyclic ring systems and the discovery of dolutegravir (S/GSK1349572) and (S/GSK1265744). J Med Chem, Volume 56 (14), 2013 J Med Chem 2013 23845180
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Johnson CN, Ahn JS, Buck IM, Chiarparin E, Day JEH, Hopkins...
Johnson CN, Ahn JS, Buck IM, Chiarparin E, Day JEH, Hopkins A, Howard S, Lewis EJ, Martins V, Millemaggi A, Munck JM, Page LW, Peakman T, Reader M, Rich SJ, Saxty G, Smyth T, Thompson NT, Ward GA, Williams PA, Wilsher NE, Chessari G.
A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins:... Johnson CN, Ahn JS, Buck IM, Chiarparin E, Day JEH, Hopkins A, Howard S, Lewis EJ, Martins V, Millemaggi A, Munck JM, Page LW, Peakman T, Reader M, Rich SJ, Saxty G, Smyth T, Thompson NT, Ward GA, Williams PA, Wilsher NE, Chessari G.: A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660). J Med Chem, Volume 61 (16), 2018 J Med Chem 2018 30091600
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Johnson DS, Stiff C, Lazerwith SE, Kesten SR, Fay LK,...
Johnson DS, Stiff C, Lazerwith SE, Kesten SR, Fay LK, Morris M, Beidler D, Liimatta MB, Smith SE, Dudley DT, Sadagopan N, Bhattachar SN, Kesten SJ, Nomanbhoy TK, Cravatt BF, Ahn K.
Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor. Johnson DS, Stiff C, Lazerwith SE, Kesten SR, Fay LK, Morris M, Beidler D, Liimatta MB, Smith SE, Dudley DT, Sadagopan N, Bhattachar SN, Kesten SJ, Nomanbhoy TK, Cravatt BF, Ahn K.: Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor. ACS Med Chem Lett, Volume 2 (2), 2011 ACS Med Chem Lett 2011 21666860
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Johnson JA, Xu N, Jeon Y, Finlay HJ, Kover A, Conder ML,...
Johnson JA, Xu N, Jeon Y, Finlay HJ, Kover A, Conder ML, Sun H, Li D, Levesque P, Hsueh MM, Harper TW, Wexler RR, Lloyd J.
Design, synthesis and evaluation of phenethylaminoheterocycles as K(v)1.5 inhibitors. Johnson JA, Xu N, Jeon Y, Finlay HJ, Kover A, Conder ML, Sun H, Li D, Levesque P, Hsueh MM, Harper TW, Wexler RR, Lloyd J.: Design, synthesis and evaluation of phenethylaminoheterocycles as K(v)1.5 inhibitors. Bioorg Med Chem Lett, Volume 24 (14), 2014 Bioorg Med Chem Lett 2014 24881565
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Johnson RE, Silver PJ, Becker R, Birsner NC, Bohnet EA,...
Johnson RE, Silver PJ, Becker R, Birsner NC, Bohnet EA, Briggs GM, Busacca CA, Canniff P, Carabateas PM, Chadwick CC.
4,5-Dihydro-3-(methanesulfonamidophenyl)-1-phenyl-1H-2,4-benzodiazepines: a novel class III antiarrhythmic agents. Johnson RE, Silver PJ, Becker R, Birsner NC, Bohnet EA, Briggs GM, Busacca CA, Canniff P, Carabateas PM, Chadwick CC.: 4,5-Dihydro-3-(methanesulfonamidophenyl)-1-phenyl-1H-2,4-benzodiazepines: a novel class III antiarrhythmic agents. J Med Chem, Volume 38 (14), 1995 J Med Chem 1995 7629795
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Johnson TW, Tanis SP, Butler SL, Dalvie D, Delisle DM,...
Johnson TW, Tanis SP, Butler SL, Dalvie D, Delisle DM, Dress KR, Flahive EJ, Hu Q, Kuehler JE, Kuki A, Liu W, McClellan GA, Peng Q, Plewe MB, Richardson PF, Smith GL, Solowiej J, Tran KT, Wang H, Yu X, Zhang J, Zhu H.
Design and synthesis of novel N-hydroxy-dihydronaphthyridinones as potent and orally bioavailable HIV-1 integrase... Johnson TW, Tanis SP, Butler SL, Dalvie D, Delisle DM, Dress KR, Flahive EJ, Hu Q, Kuehler JE, Kuki A, Liu W, McClellan GA, Peng Q, Plewe MB, Richardson PF, Smith GL, Solowiej J, Tran KT, Wang H, Yu X, Zhang J, Zhu H.: Design and synthesis of novel N-hydroxy-dihydronaphthyridinones as potent and orally bioavailable HIV-1 integrase inhibitors. J Med Chem, Volume 54 (9), 2011 J Med Chem 2011 21446745
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Jonckers TH, Rouan MC, Haché G, Schepens W, Hallenberger...
Jonckers TH, Rouan MC, Haché G, Schepens W, Hallenberger S, Baumeister J, Sasaki JC.
Benzoxazole and benzothiazole amides as novel pharmacokinetic enhancers of HIV protease inhibitors. Jonckers TH, Rouan MC, Haché G, Schepens W, Hallenberger S, Baumeister J, Sasaki JC.: Benzoxazole and benzothiazole amides as novel pharmacokinetic enhancers of HIV protease inhibitors. Bioorg Med Chem Lett, Volume 22 (15), 2012 Bioorg Med Chem Lett 2012 22765892
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Jones CK, Sheffler DJ, Williams R, Jadhav SB, Felts AS,...
Jones CK, Sheffler DJ, Williams R, Jadhav SB, Felts AS, Morrison RD, Niswender CM, Daniels JS, Conn PJ, Lindsley CW.
Novel GlyT1 inhibitor chemotypes by scaffold hopping. Part 1: development of a potent and CNS penetrant [3.1.0]-based... Jones CK, Sheffler DJ, Williams R, Jadhav SB, Felts AS, Morrison RD, Niswender CM, Daniels JS, Conn PJ, Lindsley CW.: Novel GlyT1 inhibitor chemotypes by scaffold hopping. Part 1: development of a potent and CNS penetrant [3.1.0]-based lead. Bioorg Med Chem Lett, Volume 24 (4), 2014 Bioorg Med Chem Lett 2014 24461352
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Jones KL, Beaumont DM, Bernard SG, Bit RA, Campbell SP,...
Jones KL, Beaumont DM, Bernard SG, Bit RA, Campbell SP, Chung CW, Cutler L, Demont EH, Dennis K, Gordon L, Gray JR, Haase MV, Lewis AJ, McCleary S, Mitchell DJ, Moore SM, Parr N, Robb OJ, Smithers N, Soden PE, Suckling CJ, Taylor S, Walker AL, Watson RJ, Prinjha RK.
Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical... Jones KL, Beaumont DM, Bernard SG, Bit RA, Campbell SP, Chung CW, Cutler L, Demont EH, Dennis K, Gordon L, Gray JR, Haase MV, Lewis AJ, McCleary S, Mitchell DJ, Moore SM, Parr N, Robb OJ, Smithers N, Soden PE, Suckling CJ, Taylor S, Walker AL, Watson RJ, Prinjha RK.: Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression. J Med Chem, Volume 64 (16), 2021 J Med Chem 2021 34387088
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Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F,...
Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.
Discovery of a highly potent series of TLR7 agonists. Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011 Bioorg Med Chem Lett 2011 21885277
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Josa-Culleré L, Madden KS, Cogswell TJ, Jackson TR, Carter...
Josa-Culleré L, Madden KS, Cogswell TJ, Jackson TR, Carter TS, Zhang D, Trevitt G, Davies SG, Vyas P, Wynne GM, Milne TA, Russell AJ.
A Phenotypic Screen Identifies a Compound Series That Induces Differentiation of Acute Myeloid Leukemia Cells In... Josa-Culleré L, Madden KS, Cogswell TJ, Jackson TR, Carter TS, Zhang D, Trevitt G, Davies SG, Vyas P, Wynne GM, Milne TA, Russell AJ.: A Phenotypic Screen Identifies a Compound Series That Induces Differentiation of Acute Myeloid Leukemia Cells In Vitro and Shows Antitumor Effects In Vivo. J Med Chem, Volume 64 (21), 2021 J Med Chem 2021 34672555
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Joshi A, Véron JB, Unge J, Rosenquist Å, Wallberg H,...
Joshi A, Véron JB, Unge J, Rosenquist Å, Wallberg H, Samuelsson B, Hallberg A, Larhed M.
Design and synthesis of P1-P3 macrocyclic tertiary-alcohol-comprising HIV-1 protease inhibitors. Joshi A, Véron JB, Unge J, Rosenquist Å, Wallberg H, Samuelsson B, Hallberg A, Larhed M.: Design and synthesis of P1-P3 macrocyclic tertiary-alcohol-comprising HIV-1 protease inhibitors. J Med Chem, Volume 56 (22), 2013 J Med Chem 2013 24160253
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Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner...
Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.
4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant... Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017 J Med Chem 2017 29185748
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Joshi P, Vishwakarma RA, Bharate SB.
Joshi P, Vishwakarma RA, Bharate SB.
Natural alkaloids as P-gp inhibitors for multidrug resistance reversal in cancer. Joshi P, Vishwakarma RA, Bharate SB.: Natural alkaloids as P-gp inhibitors for multidrug resistance reversal in cancer. Eur J Med Chem, Volume 138, 2017 Eur J Med Chem 2017 28675836
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Total passive interactions: 0
Total active interactions: 1
Prashant Joshi, Samsher Singh, Abubakar Wani, Sadhana...
Prashant Joshi, Samsher Singh, Abubakar Wani, Sadhana Sharma, Shreyans K. Jain, Baljinder Singh, Bishan D. Gupta, Naresh K. Satti, Surrinder Koul, Inshad A. Khan, Ajay Kumar, Sandip B. Bharate, Ram A. Vishwakarma
Osthol and curcumin as inhibitors of human Pgp and multidrug efflux pumps of Staphylococcus aureus: reversing the... Joshi, Prashant; Samsher Singh, Abubakar Wani, Sadhana Sharma, Shreyans K. Jain, Baljinder Singh, Bishan D. Gupta, Naresh K. Satti, Surrinder Koul, Inshad A. Khan, Ajay Kumar, Sandip B. Bharate, Ram A. Vishwakarma: Osthol and curcumin as inhibitors of human Pgp and multidrug efflux pumps of Staphylococcus aureus: reversing the resistance against frontline antibacterial drugs.Med. Chem. Commun., 2014,5, 1540-1547, 10.1039/C4MD00196F MedChemComm 2014 10.1039/C4MD001...
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Joslyn AF, Luchowski E, Triggle DJ.
Joslyn AF, Luchowski E, Triggle DJ.
Dimeric 1,4-dihydropyridines as calcium channel antagonists. Joslyn AF, Luchowski E, Triggle DJ.: Dimeric 1,4-dihydropyridines as calcium channel antagonists. J Med Chem, Volume 31 (8), 1988 J Med Chem 1988 2840498
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Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S,...
Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.
Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016 Eur J Med Chem 2016 27046230
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Juhl K, Hansen T, Kehler J, Khanzhin NA, Nørgaard MB,...
Juhl K, Hansen T, Kehler J, Khanzhin NA, Nørgaard MB, Ruhland T, Larsen DB, Jensen KG, Steiniger-Brach B, Nielsen SM, Simonsen KB.
Identification of a new series of non-peptidic NK3 receptor antagonists. Juhl K, Hansen T, Kehler J, Khanzhin NA, Nørgaard MB, Ruhland T, Larsen DB, Jensen KG, Steiniger-Brach B, Nielsen SM, Simonsen KB.: Identification of a new series of non-peptidic NK3 receptor antagonists. Bioorg Med Chem Lett, Volume 21 (5), 2011 Bioorg Med Chem Lett 2011 21292483
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Jung E, Soto-Acosta R, Xie J, Wilson DJ, Dreis CD, Majima...
Jung E, Soto-Acosta R, Xie J, Wilson DJ, Dreis CD, Majima R, Edwards TC, Geraghty RJ, Chen L.
Bisubstrate Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 Nsp14 Methyltransferase. Jung E, Soto-Acosta R, Xie J, Wilson DJ, Dreis CD, Majima R, Edwards TC, Geraghty RJ, Chen L.: Bisubstrate Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 Nsp14 Methyltransferase. ACS Med Chem Lett, Volume 13 (9), 2022 ACS Med Chem Lett 2022 36097498
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Jung KY, Takeda M, Kim DK, Tojo A, Narikawa S, Yoo BS,...
Jung KY, Takeda M, Kim DK, Tojo A, Narikawa S, Yoo BS, Hosoyamada M, Cha SH, Sekine T, Endou H.
Characterization of ochratoxin A transport by human organic anion transporters. Jung KY, Takeda M, Kim DK, Tojo A, Narikawa S, Yoo BS, Hosoyamada M, Cha SH, Sekine T, Endou H.: Characterization of ochratoxin A transport by human organic anion transporters. Life Sci, Volume 69 (18), 2001 Life Sci 2001 11669456
Total substances: 3
Total passive interactions: 0
Total active interactions: 4
Jung YH, Yu J, Wen Z, Salmaso V, Karcz TP, Phung NB, Chen...
Jung YH, Yu J, Wen Z, Salmaso V, Karcz TP, Phung NB, Chen Z, Duca S, Bennett JM, Dudas S, Salvemini D, Gao ZG, Cook DN, Jacobson KA.
Exploration of Alternative Scaffolds for P2Y14 Receptor Antagonists Containing a Biaryl Core. Jung YH, Yu J, Wen Z, Salmaso V, Karcz TP, Phung NB, Chen Z, Duca S, Bennett JM, Dudas S, Salvemini D, Gao ZG, Cook DN, Jacobson KA.: Exploration of Alternative Scaffolds for P2Y14 Receptor Antagonists Containing a Biaryl Core. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32787142
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Jurkiewicz P, Olzyńska A, Langner M, Hof M.
Jurkiewicz P, Olzyńska A, Langner M, Hof M.
Headgroup hydration and mobility of DOTAP/DOPC bilayers: a fluorescence solvent relaxation study. Jurkiewicz P, Olzyńska A, Langner M, Hof M.: Headgroup hydration and mobility of DOTAP/DOPC bilayers: a fluorescence solvent relaxation study. Langmuir, Volume 22 (21), 8741-8749, 2006 Langmuir 2006 17014112
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Juvale K, Gallus J, Wiese M.
Juvale K, Gallus J, Wiese M.
Investigation of quinazolines as inhibitors of breast cancer resistance protein (ABCG2). Juvale K, Gallus J, Wiese M.: Investigation of quinazolines as inhibitors of breast cancer resistance protein (ABCG2). Bioorg Med Chem, Volume 21 (24), 2013 Bioorg Med Chem 2013 24184213
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Juvale K, Pape VF, Wiese M.
Juvale K, Pape VF, Wiese M.
Investigation of chalcones and benzochalcones as inhibitors of breast cancer resistance protein. Juvale K, Pape VF, Wiese M.: Investigation of chalcones and benzochalcones as inhibitors of breast cancer resistance protein. Bioorg Med Chem, Volume 20 (1), 2012 Bioorg Med Chem 2012 22112540
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Juvale K, Stefan K, Wiese M.
Juvale K, Stefan K, Wiese M.
Synthesis and biological evaluation of flavones and benzoflavones as inhibitors of BCRP/ABCG2. Juvale K, Stefan K, Wiese M.: Synthesis and biological evaluation of flavones and benzoflavones as inhibitors of BCRP/ABCG2. Eur J Med Chem, Volume 67, 2013 Eur J Med Chem 2013 23851114
Total substances: 6
Total passive interactions: 0
Total active interactions: 10
Jørgensen M, Jørgensen PN, Christoffersen CT, Jensen KG,...
Jørgensen M, Jørgensen PN, Christoffersen CT, Jensen KG, Balle T, Bang-Andersen B.
Discovery of novel α₁-adrenoceptor ligands based on the antipsychotic sertindole suitable for labeling as PET... Jørgensen M, Jørgensen PN, Christoffersen CT, Jensen KG, Balle T, Bang-Andersen B.: Discovery of novel α₁-adrenoceptor ligands based on the antipsychotic sertindole suitable for labeling as PET ligands. Bioorg Med Chem, Volume 21 (1), 2013 Bioorg Med Chem 2013 23218776
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Kablaoui N, Patel S, Shao J, Demian D, Hoffmaster K,...
Kablaoui N, Patel S, Shao J, Demian D, Hoffmaster K, Berlioz F, Vazquez ML, Moore WM, Nugent RA.
Novel benzoxazole inhibitors of mPGES-1. Kablaoui N, Patel S, Shao J, Demian D, Hoffmaster K, Berlioz F, Vazquez ML, Moore WM, Nugent RA.: Novel benzoxazole inhibitors of mPGES-1. Bioorg Med Chem Lett, Volume 23 (3), 2013 Bioorg Med Chem Lett 2013 23266122
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Kaila N, Follows B, Leung L, Thomason J, Huang A, Moretto...
Kaila N, Follows B, Leung L, Thomason J, Huang A, Moretto A, Janz K, Lowe M, Mansour TS, Hubeau C, Page K, Morgan P, Fish S, Xu X, Williams C, Saiah E.
Discovery of isoquinolinone indole acetic acids as antagonists of chemoattractant receptor homologous molecule... Kaila N, Follows B, Leung L, Thomason J, Huang A, Moretto A, Janz K, Lowe M, Mansour TS, Hubeau C, Page K, Morgan P, Fish S, Xu X, Williams C, Saiah E.: Discovery of isoquinolinone indole acetic acids as antagonists of chemoattractant receptor homologous molecule expressed on Th2 cells (CRTH2) for the treatment of allergic inflammatory diseases. J Med Chem, Volume 57 (4), 2014 J Med Chem 2014 24512187
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Kaila N, Huang A, Moretto A, Follows B, Janz K, Lowe M,...
Kaila N, Huang A, Moretto A, Follows B, Janz K, Lowe M, Thomason J, Mansour TS, Hubeau C, Page K, Morgan P, Fish S, Xu X, Williams C, Saiah E.
Diazine indole acetic acids as potent, selective, and orally bioavailable antagonists of chemoattractant receptor... Kaila N, Huang A, Moretto A, Follows B, Janz K, Lowe M, Thomason J, Mansour TS, Hubeau C, Page K, Morgan P, Fish S, Xu X, Williams C, Saiah E.: Diazine indole acetic acids as potent, selective, and orally bioavailable antagonists of chemoattractant receptor homologous molecule expressed on Th2 cells (CRTH2) for the treatment of allergic inflammatory diseases. J Med Chem, Volume 55 (11), 2012 J Med Chem 2012 22651823
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Kaiser D, Terfloth L, Kopp S, Schulz J, de Laet R, Chiba P,...
Kaiser D, Terfloth L, Kopp S, Schulz J, de Laet R, Chiba P, Ecker GF, Gasteiger J.
Self-organizing maps for identification of new inhibitors of P-glycoprotein. Kaiser D, Terfloth L, Kopp S, Schulz J, de Laet R, Chiba P, Ecker GF, Gasteiger J.: Self-organizing maps for identification of new inhibitors of P-glycoprotein. J Med Chem, Volume 50 (7), 2007 J Med Chem 2007 17352460
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kakinuma H, Oi T, Hashimoto-Tsuchiya Y, Arai M, Kawakita Y,...
Kakinuma H, Oi T, Hashimoto-Tsuchiya Y, Arai M, Kawakita Y, Fukasawa Y, Iida I, Hagima N, Takeuchi H, Chino Y, Asami J, Okumura-Kitajima L, Io F, Yamamoto D, Miyata N, Takahashi T, Uchida S, Yamamoto K.
(1S)-1,5-anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol (TS-071) is a potent, selective... Kakinuma H, Oi T, Hashimoto-Tsuchiya Y, Arai M, Kawakita Y, Fukasawa Y, Iida I, Hagima N, Takeuchi H, Chino Y, Asami J, Okumura-Kitajima L, Io F, Yamamoto D, Miyata N, Takahashi T, Uchida S, Yamamoto K.: (1S)-1,5-anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol (TS-071) is a potent, selective sodium-dependent glucose cotransporter 2 (SGLT2) inhibitor for type 2 diabetes treatment. J Med Chem, Volume 53 (8), 2010 J Med Chem 2010 20302302
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kalaba P, Aher NY, Ilić M, Dragačević V, Wieder M,...
Kalaba P, Aher NY, Ilić M, Dragačević V, Wieder M, Miklosi AG, Zehl M, Wackerlig J, Roller A, Beryozkina T, Radoman B, Saroja SR, Lindner W, Gonzalez EP, Bakulev V, Leban JJ, Sitte HH, Urban E, Langer T, Lubec G.
Heterocyclic Analogues of Modafinil as Novel, Atypical Dopamine Transporter Inhibitors. Kalaba P, Aher NY, Ilić M, Dragačević V, Wieder M, Miklosi AG, Zehl M, Wackerlig J, Roller A, Beryozkina T, Radoman B, Saroja SR, Lindner W, Gonzalez EP, Bakulev V, Leban JJ, Sitte HH, Urban E, Langer T, Lubec G.: Heterocyclic Analogues of Modafinil as Novel, Atypical Dopamine Transporter Inhibitors. J Med Chem, Volume 60 (22), 2017 J Med Chem 2017 29091428
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kalliokoski A, Niemi M.
Kalliokoski A, Niemi M.
Impact of OATP transporters on pharmacokinetics. Kalliokoski A, Niemi M.: Impact of OATP transporters on pharmacokinetics. Br J Pharmacol, Volume 158 (3), 2009 Br J Pharmacol 2009 19785645
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kam YL, Rhee HK, Rhim H, Back SK, Na HS, Choo HY.
Kam YL, Rhee HK, Rhim H, Back SK, Na HS, Choo HY.
Synthesis and T-type calcium channel blocking activity of novel diphenylpiperazine compounds, and evaluation of in vivo... Kam YL, Rhee HK, Rhim H, Back SK, Na HS, Choo HY.: Synthesis and T-type calcium channel blocking activity of novel diphenylpiperazine compounds, and evaluation of in vivo analgesic activity. Bioorg Med Chem, Volume 18 (16), 2010 Bioorg Med Chem 2010 20659804
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Kamakolanu UG, Meyer ME, Yasuda D, Polgar WE, Marti M,...
Kamakolanu UG, Meyer ME, Yasuda D, Polgar WE, Marti M, Mercatelli D, Pisanò CA, Brugnoli A, Morari M, Zaveri NT.
Discovery and Structure-Activity Relationships of Nociceptin Receptor Partial Agonists That Afford Symptom Ablation in... Kamakolanu UG, Meyer ME, Yasuda D, Polgar WE, Marti M, Mercatelli D, Pisanò CA, Brugnoli A, Morari M, Zaveri NT.: Discovery and Structure-Activity Relationships of Nociceptin Receptor Partial Agonists That Afford Symptom Ablation in Parkinson's Disease Models. J Med Chem, Volume 63 (5), 2020 J Med Chem 2020 31951130
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Kameyama Y, Yamashita K, Kobayashi K, Hosokawa M, Chiba K.
Kameyama Y, Yamashita K, Kobayashi K, Hosokawa M, Chiba K.
Functional characterization of SLCO1B1 (OATP-C) variants, SLCO1B1*5, SLCO1B1*15 and SLCO1B1*15+C1007G, by using... Kameyama Y, Yamashita K, Kobayashi K, Hosokawa M, Chiba K.: Functional characterization of SLCO1B1 (OATP-C) variants, SLCO1B1*5, SLCO1B1*15 and SLCO1B1*15+C1007G, by using transient expression systems of HeLa and HEK293 cells. Pharmacogenet Genomics, Volume 15 (7), 2005 Pharmacogenet Genomics 2005 15970799
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Kamisako T, Leier I, Cui Y, König J, Buchholz U,...
Kamisako T, Leier I, Cui Y, König J, Buchholz U, Hummel-Eisenbeiss J, Keppler D.
Transport of monoglucuronosyl and bisglucuronosyl bilirubin by recombinant human and rat multidrug resistance protein 2. Kamisako T, Leier I, Cui Y, König J, Buchholz U, Hummel-Eisenbeiss J, Keppler D.: Transport of monoglucuronosyl and bisglucuronosyl bilirubin by recombinant human and rat multidrug resistance protein 2. Hepatology, Volume 30 (2), 1999 Hepatology 1999 10421658
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Kamisuki S, Shirakawa T, Kugimiya A, Abu-Elheiga L, Choo...
Kamisuki S, Shirakawa T, Kugimiya A, Abu-Elheiga L, Choo HY, Yamada K, Shimogawa H, Wakil SJ, Uesugi M.
Synthesis and evaluation of diarylthiazole derivatives that inhibit activation of sterol regulatory element-binding... Kamisuki S, Shirakawa T, Kugimiya A, Abu-Elheiga L, Choo HY, Yamada K, Shimogawa H, Wakil SJ, Uesugi M.: Synthesis and evaluation of diarylthiazole derivatives that inhibit activation of sterol regulatory element-binding proteins. J Med Chem, Volume 54 (13), 2011 J Med Chem 2011 21561152
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Kaneda M, Kawaguchi S, Fujii N, Ohno H, Oishi S.
Kaneda M, Kawaguchi S, Fujii N, Ohno H, Oishi S.
Structure-Activity Relationship Study on Odoamide: Insights into the Bioactivities of Aurilide-Family Hybrid... Kaneda M, Kawaguchi S, Fujii N, Ohno H, Oishi S.: Structure-Activity Relationship Study on Odoamide: Insights into the Bioactivities of Aurilide-Family Hybrid Peptide-Polyketides. ACS Med Chem Lett, Volume 9 (4), 2018 ACS Med Chem Lett 2018 29670702
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Kang SY, Song KS, Lee J, Lee SH, Lee J.
Kang SY, Song KS, Lee J, Lee SH, Lee J.
Synthesis of pyridazine and thiazole analogs as SGLT2 inhibitors. Kang SY, Song KS, Lee J, Lee SH, Lee J.: Synthesis of pyridazine and thiazole analogs as SGLT2 inhibitors. Bioorg Med Chem, Volume 18 (16), 2010 Bioorg Med Chem 2010 20637636
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kankanala J, Ribeiro CJA, Kiselev E, Ravji A, Williams J,...
Kankanala J, Ribeiro CJA, Kiselev E, Ravji A, Williams J, Xie J, Aihara H, Pommier Y, Wang Z.
Novel Deazaflavin Analogues Potently Inhibited Tyrosyl DNA Phosphodiesterase 2 (TDP2) and Strongly Sensitized Cancer... Kankanala J, Ribeiro CJA, Kiselev E, Ravji A, Williams J, Xie J, Aihara H, Pommier Y, Wang Z.: Novel Deazaflavin Analogues Potently Inhibited Tyrosyl DNA Phosphodiesterase 2 (TDP2) and Strongly Sensitized Cancer Cells toward Treatment with Topoisomerase II (TOP2) Poison Etoposide. J Med Chem, Volume 62 (9), 2019 J Med Chem 2019 30998359
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Kaptein A, Oubrie A, de Zwart E, Hoogenboom N, de Wit J,...
Kaptein A, Oubrie A, de Zwart E, Hoogenboom N, de Wit J, van de Kar B, van Hoek M, Vogel G, de Kimpe V, Schultz-Fademrecht C, Borsboom J, van Zeeland M, Versteegh J, Kazemier B, de Roos J, Wijnands F, Dulos J, Jaeger M, Leandro-Garcia P, Barf T.
Discovery of selective and orally available spiro-3-piperidyl ATP-competitive MK2 inhibitors. Kaptein A, Oubrie A, de Zwart E, Hoogenboom N, de Wit J, van de Kar B, van Hoek M, Vogel G, de Kimpe V, Schultz-Fademrecht C, Borsboom J, van Zeeland M, Versteegh J, Kazemier B, de Roos J, Wijnands F, Dulos J, Jaeger M, Leandro-Garcia P, Barf T.: Discovery of selective and orally available spiro-3-piperidyl ATP-competitive MK2 inhibitors. Bioorg Med Chem Lett, Volume 21 (12), 2011 Bioorg Med Chem Lett 2011 21565498
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Karki RG, Powers J, Mainolfi N, Anderson K, Belanger DB,...
Karki RG, Powers J, Mainolfi N, Anderson K, Belanger DB, Liu D, Ji N, Jendza K, Gelin CF, Mac Sweeney A, Solovay C, Delgado O, Crowley M, Liao SM, Argikar UA, Flohr S, La Bonte LR, Lorthiois EL, Vulpetti A, Brown A, Long D, Prentiss M, Gradoux N, de Erkenez A, Cumin F, Adams C, Jaffee B, Mogi M.
Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative... Karki RG, Powers J, Mainolfi N, Anderson K, Belanger DB, Liu D, Ji N, Jendza K, Gelin CF, Mac Sweeney A, Solovay C, Delgado O, Crowley M, Liao SM, Argikar UA, Flohr S, La Bonte LR, Lorthiois EL, Vulpetti A, Brown A, Long D, Prentiss M, Gradoux N, de Erkenez A, Cumin F, Adams C, Jaffee B, Mogi M.: Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway. J Med Chem, Volume 62 (9), 2019 J Med Chem 2019 30995036
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Karlgren M, Ahlin G, Bergström CA, Svensson R, Palm J,...
Karlgren M, Ahlin G, Bergström CA, Svensson R, Palm J, Artursson P.
In vitro and in silico strategies to identify OATP1B1 inhibitors and predict clinical drug-drug interactions. Karlgren M, Ahlin G, Bergström CA, Svensson R, Palm J, Artursson P.: In vitro and in silico strategies to identify OATP1B1 inhibitors and predict clinical drug-drug interactions. Pharm Res, Volume 29 (2), 2012 Pharm Res 2012 21861202
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Karlgren M, Vildhede A, Norinder U, Wisniewski JR, Kimoto...
Karlgren M, Vildhede A, Norinder U, Wisniewski JR, Kimoto E, Lai Y, Haglund U, Artursson P.
Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein... Karlgren M, Vildhede A, Norinder U, Wisniewski JR, Kimoto E, Lai Y, Haglund U, Artursson P.: Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions. J Med Chem, Volume 55 (10), 2012 J Med Chem 2012 22541068
Total substances: 12
Total passive interactions: 0
Total active interactions: 16
Karlström S, Nordvall G, Sohn D, Hettman A, Turek D,...
Karlström S, Nordvall G, Sohn D, Hettman A, Turek D, Åhlin K, Kers A, Claesson M, Slivo C, Lo-Alfredsson Y, Petersson C, Bessidskaia G, Svensson PH, Rein T, Jerning E, Malmberg Å, Ahlgen C, Ray C, Ray C, Vares L, Ivanov V, Johansson R.
Substituted 7-amino-5-thio-thiazolo[4,5-d]pyrimidines as potent and selective antagonists of the fractalkine receptor... Karlström S, Nordvall G, Sohn D, Hettman A, Turek D, Åhlin K, Kers A, Claesson M, Slivo C, Lo-Alfredsson Y, Petersson C, Bessidskaia G, Svensson PH, Rein T, Jerning E, Malmberg Å, Ahlgen C, Ray C, Ray C, Vares L, Ivanov V, Johansson R.: Substituted 7-amino-5-thio-thiazolo[4,5-d]pyrimidines as potent and selective antagonists of the fractalkine receptor (CX3CR1). J Med Chem, Volume 56 (8), 2013 J Med Chem 2013 23516963
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Karunakaran S, Umapathy NS, Thangaraju M, Hatanaka T,...
Karunakaran S, Umapathy NS, Thangaraju M, Hatanaka T, Itagaki S, Munn DH, Prasad PD, Ganapathy V.
Interaction of tryptophan derivatives with SLC6A14 (ATB0,+) reveals the potential of the transporter as a drug target... Karunakaran S, Umapathy NS, Thangaraju M, Hatanaka T, Itagaki S, Munn DH, Prasad PD, Ganapathy V.: Interaction of tryptophan derivatives with SLC6A14 (ATB0,+) reveals the potential of the transporter as a drug target for cancer chemotherapy. Biochem J, Volume 414 (3), 2008 Biochem J 2008 18522536
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kashiwagi K, Kanai N, Tsuchida T, Suzuki M, Iizuka Y,...
Kashiwagi K, Kanai N, Tsuchida T, Suzuki M, Iizuka Y, Tanaka Y, Tsukahara S.
Comparison between isopropyl unoprostone and latanoprost by prostaglandin E(2)induction, affinity to prostaglandin... Kashiwagi K, Kanai N, Tsuchida T, Suzuki M, Iizuka Y, Tanaka Y, Tsukahara S.: Comparison between isopropyl unoprostone and latanoprost by prostaglandin E(2)induction, affinity to prostaglandin transporter, and intraocular metabolism. Exp Eye Res, Volume 74 (1), 2002 Exp Eye Res 2002 11878817
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Katayama K, Ishii K, Tsuda E, Yotsumoto K, Hiramoto K,...
Katayama K, Ishii K, Tsuda E, Yotsumoto K, Hiramoto K, Suzuki M, Yasumatsu I, Igarashi W, Torihata M, Ishiyama T, Katagiri T.
Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and... Katayama K, Ishii K, Tsuda E, Yotsumoto K, Hiramoto K, Suzuki M, Yasumatsu I, Igarashi W, Torihata M, Ishiyama T, Katagiri T.: Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines. Bioorg Med Chem Lett, Volume 30 (20), 2020 Bioorg Med Chem Lett 2020 32781218
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Kato K, Shirasaka Y, Kuraoka E, Kikuchi A, Iguchi M, Suzuki...
Kato K, Shirasaka Y, Kuraoka E, Kikuchi A, Iguchi M, Suzuki H, Shibasaki S, Kurosawa T, Tamai I.
Intestinal absorption mechanism of tebipenem pivoxil, a novel oral carbapenem: involvement of human OATP family in... Kato K, Shirasaka Y, Kuraoka E, Kikuchi A, Iguchi M, Suzuki H, Shibasaki S, Kurosawa T, Tamai I.: Intestinal absorption mechanism of tebipenem pivoxil, a novel oral carbapenem: involvement of human OATP family in apical membrane transport. Mol Pharm, Volume 7 (5), 2010 Mol Pharm 2010 20735088
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kato Y, Hiasa M, Ichikawa R, Hasuzawa N, Kadowaki A,...
Kato Y, Hiasa M, Ichikawa R, Hasuzawa N, Kadowaki A, Iwatsuki K, Shima K, Endo Y, Kitahara Y, Inoue T, Nomura M, Omote H, Moriyama Y, Miyaji T.
Identification of a vesicular ATP release inhibitor for the treatment of neuropathic and inflammatory pain. Kato Y, Hiasa M, Ichikawa R, Hasuzawa N, Kadowaki A, Iwatsuki K, Shima K, Endo Y, Kitahara Y, Inoue T, Nomura M, Omote H, Moriyama Y, Miyaji T.: Identification of a vesicular ATP release inhibitor for the treatment of neuropathic and inflammatory pain. Proc Natl Acad Sci U S A, Volume 114 (31), 2017 Proc Natl Acad Sci U S A 2017 28720702
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kato Y, Miyazaki T, Kano T, Sugiura T, Kubo Y, Tsuji A.
Kato Y, Miyazaki T, Kano T, Sugiura T, Kubo Y, Tsuji A.
Involvement of influx and efflux transport systems in gastrointestinal absorption of celiprolol. Kato Y, Miyazaki T, Kano T, Sugiura T, Kubo Y, Tsuji A.: Involvement of influx and efflux transport systems in gastrointestinal absorption of celiprolol. J Pharm Sci, Volume 98 (7), 2009 J Pharm Sci 2009 19067419
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Katsuno K, Fujimori Y, Takemura Y, Hiratochi M, Itoh F,...
Katsuno K, Fujimori Y, Takemura Y, Hiratochi M, Itoh F, Komatsu Y, Fujikura H, Isaji M.
Sergliflozin, a novel selective inhibitor of low-affinity sodium glucose cotransporter (SGLT2), validates the critical... Katsuno K, Fujimori Y, Takemura Y, Hiratochi M, Itoh F, Komatsu Y, Fujikura H, Isaji M.: Sergliflozin, a novel selective inhibitor of low-affinity sodium glucose cotransporter (SGLT2), validates the critical role of SGLT2 in renal glucose reabsorption and modulates plasma glucose level. J Pharmacol Exp Ther, Volume 320 (1), 2007 J Pharmacol Exp Ther 2007 17050778
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Kaur J, Cao X, Abutaleb NS, Elkashif A, Graboski AL,...
Kaur J, Cao X, Abutaleb NS, Elkashif A, Graboski AL, Krabill AD, AbdelKhalek AH, An W, Bhardwaj A, Seleem MN, Flaherty DP.
Optimization of Acetazolamide-Based Scaffold as Potent Inhibitors of Vancomycin-Resistant Enterococcus. Kaur J, Cao X, Abutaleb NS, Elkashif A, Graboski AL, Krabill AD, AbdelKhalek AH, An W, Bhardwaj A, Seleem MN, Flaherty DP.: Optimization of Acetazolamide-Based Scaffold as Potent Inhibitors of Vancomycin-Resistant Enterococcus. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32787141
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Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K,...
Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shimma N, Tsukuda T, Ohwada J.
Optimization of the phenylurea moiety in a phosphoinositide 3-kinase (PI3K) inhibitor to improve water solubility and... Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shimma N, Tsukuda T, Ohwada J.: Optimization of the phenylurea moiety in a phosphoinositide 3-kinase (PI3K) inhibitor to improve water solubility and the PK profile by introducing a solubilizing group and ortho substituents. Bioorg Med Chem, Volume 24 (13), 2016 Bioorg Med Chem 2016 27189888
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Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K,...
Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.
Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015 Bioorg Med Chem 2015 26613634
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Kawahata W, Asami T, Irie T, Sawa M.
Kawahata W, Asami T, Irie T, Sawa M.
Design and synthesis of novel pyrimidine analogs as highly selective, non-covalent BTK inhibitors. Kawahata W, Asami T, Irie T, Sawa M.: Design and synthesis of novel pyrimidine analogs as highly selective, non-covalent BTK inhibitors. Bioorg Med Chem Lett, Volume 28 (2), 2018 Bioorg Med Chem Lett 2018 29198867
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Kawahata W, Asami T, Kiyoi T, Irie T, Kashimoto S, Furuichi...
Kawahata W, Asami T, Kiyoi T, Irie T, Kashimoto S, Furuichi H, Sawa M.
Discovery of AS-1763: A Potent, Selective, Noncovalent, and Orally Available Inhibitor of Bruton's Tyrosine Kinase. Kawahata W, Asami T, Kiyoi T, Irie T, Kashimoto S, Furuichi H, Sawa M.: Discovery of AS-1763: A Potent, Selective, Noncovalent, and Orally Available Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 64 (19), 2021 J Med Chem 2021 34529443
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Kawahata W, Asami T, Kiyoi T, Irie T, Taniguchi H, Asamitsu...
Kawahata W, Asami T, Kiyoi T, Irie T, Taniguchi H, Asamitsu Y, Inoue T, Miyake T, Sawa M.
Design and Synthesis of Novel Amino-triazine Analogues as Selective Bruton's Tyrosine Kinase Inhibitors for Treatment... Kawahata W, Asami T, Kiyoi T, Irie T, Taniguchi H, Asamitsu Y, Inoue T, Miyake T, Sawa M.: Design and Synthesis of Novel Amino-triazine Analogues as Selective Bruton's Tyrosine Kinase Inhibitors for Treatment of Rheumatoid Arthritis. J Med Chem, Volume 61 (19), 2018 J Med Chem 2018 30216722
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Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki...
Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.
Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.: Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem, Volume 62 (22), 2019 J Med Chem 2019 31638799
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Kawakita Y, Miwa K, Seto M, Banno H, Ohta Y, Tamura T, Yusa...
Kawakita Y, Miwa K, Seto M, Banno H, Ohta Y, Tamura T, Yusa T, Miki H, Kamiguchi H, Ikeda Y, Tanaka T, Kamiyama K, Ishikawa T.
Design and synthesis of pyrrolo[3,2-d]pyrimidine HER2/EGFR dual inhibitors: improvement of the physicochemical and... Kawakita Y, Miwa K, Seto M, Banno H, Ohta Y, Tamura T, Yusa T, Miki H, Kamiguchi H, Ikeda Y, Tanaka T, Kamiyama K, Ishikawa T.: Design and synthesis of pyrrolo[3,2-d]pyrimidine HER2/EGFR dual inhibitors: improvement of the physicochemical and pharmacokinetic profiles for potent in vivo anti-tumor efficacy. Bioorg Med Chem, Volume 20 (20), 2012 Bioorg Med Chem 2012 22980219
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Kawamura M, Kobashi Y, Tanaka H, Bohno-Mikami A, Hamada M,...
Kawamura M, Kobashi Y, Tanaka H, Bohno-Mikami A, Hamada M, Ito Y, Hirata T, Ohara H, Kojima N, Koretsune H, Gunji E, Fukunaga T, Inatani S, Hasegawa Y, Suzuki A, Takahashi T, Kakinuma H.
Discovery of Novel Pyrazolylpyridine Derivatives for 20-Hydroxyeicosatetraenoic Acid Synthase Inhibitors with Selective... Kawamura M, Kobashi Y, Tanaka H, Bohno-Mikami A, Hamada M, Ito Y, Hirata T, Ohara H, Kojima N, Koretsune H, Gunji E, Fukunaga T, Inatani S, Hasegawa Y, Suzuki A, Takahashi T, Kakinuma H.: Discovery of Novel Pyrazolylpyridine Derivatives for 20-Hydroxyeicosatetraenoic Acid Synthase Inhibitors with Selective CYP4A11/4F2 Inhibition. J Med Chem, Volume 65 (21), 2022 J Med Chem 2022 36318660
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Kawatkar SP, Barlaam B, Kemmitt P, Simpson I, Watson D,...
Kawatkar SP, Barlaam B, Kemmitt P, Simpson I, Watson D, Wang P, Lamont S, Su Q, Boiko S, Ikeda T, Patel J, Pike A, Pollard H, Read J, Sarkar U, Wang H, Wen Q, Yan Z, Dowling JE, Dry H, Edmondson SD.
Identification of a novel series of azabenzimidazole-derived inhibitors of spleen tyrosine kinase. Kawatkar SP, Barlaam B, Kemmitt P, Simpson I, Watson D, Wang P, Lamont S, Su Q, Boiko S, Ikeda T, Patel J, Pike A, Pollard H, Read J, Sarkar U, Wang H, Wen Q, Yan Z, Dowling JE, Dry H, Edmondson SD.: Identification of a novel series of azabenzimidazole-derived inhibitors of spleen tyrosine kinase. Bioorg Med Chem Lett, Volume 30 (18), 2020 Bioorg Med Chem Lett 2020 32721854
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Kazmierski WM, Anderson DL, Aquino C, Chauder BA, Duan M,...
Kazmierski WM, Anderson DL, Aquino C, Chauder BA, Duan M, Ferris R, Kenakin T, Koble CS, Lang DG, McIntyre MS, Peckham J, Watson C, Wheelan P, Spaltenstein A, Wire MB, Svolto A, Youngman M.
Novel 4,4-disubstituted piperidine-based C-C chemokine receptor-5 inhibitors with high potency against human... Kazmierski WM, Anderson DL, Aquino C, Chauder BA, Duan M, Ferris R, Kenakin T, Koble CS, Lang DG, McIntyre MS, Peckham J, Watson C, Wheelan P, Spaltenstein A, Wire MB, Svolto A, Youngman M.: Novel 4,4-disubstituted piperidine-based C-C chemokine receptor-5 inhibitors with high potency against human immunodeficiency virus-1 and an improved human ether-a-go-go related gene (hERG) profile. J Med Chem, Volume 54 (11), 2011 J Med Chem 2011 21539377
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Kehler J, Ritzen A, Langgård M, Petersen SL, Farah MM,...
Kehler J, Ritzen A, Langgård M, Petersen SL, Farah MM, Bundgaard C, Christoffersen CT, Nielsen J, Kilburn JP.
Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors. Kehler J, Ritzen A, Langgård M, Petersen SL, Farah MM, Bundgaard C, Christoffersen CT, Nielsen J, Kilburn JP.: Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors. Bioorg Med Chem Lett, Volume 21 (12), 2011 Bioorg Med Chem Lett 2011 21602043
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Kelly JX, Smilkstein MJ, Cooper RA, Lane KD, Johnson RA,...
Kelly JX, Smilkstein MJ, Cooper RA, Lane KD, Johnson RA, Janowsky A, Dodean RA, Hinrichs DJ, Winter R, Riscoe M.
Design, synthesis, and evaluation of 10-N-substituted acridones as novel chemosensitizers in Plasmodium falciparum. Kelly JX, Smilkstein MJ, Cooper RA, Lane KD, Johnson RA, Janowsky A, Dodean RA, Hinrichs DJ, Winter R, Riscoe M.: Design, synthesis, and evaluation of 10-N-substituted acridones as novel chemosensitizers in Plasmodium falciparum. Antimicrob Agents Chemother, Volume 51 (11), 2007 Antimicrob Agents Chemother 2007 17846138
Total substances: 3
Total passive interactions: 0
Total active interactions: 4
Kelly MJ, Pietranico-Cole S, Larigan JD, Haynes NE,...
Kelly MJ, Pietranico-Cole S, Larigan JD, Haynes NE, Reynolds CH, Scott N, Vermeulen J, Dvorozniak M, Conde-Knape K, Huang KS, So SS, Thakkar K, Qian Y, Banner B, Mennona F, Danzi S, Klein I, Taub R, Tilley J.
Discovery of... Kelly MJ, Pietranico-Cole S, Larigan JD, Haynes NE, Reynolds CH, Scott N, Vermeulen J, Dvorozniak M, Conde-Knape K, Huang KS, So SS, Thakkar K, Qian Y, Banner B, Mennona F, Danzi S, Klein I, Taub R, Tilley J.: Discovery of 2-[3,5-dichloro-4-(5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yloxy)phenyl]-3,5-dioxo-2,3,4,5-tetrahydro[1,2,4]triazine-6-carbonitrile (MGL-3196), a Highly Selective Thyroid Hormone Receptor β agonist in clinical trials for the treatment of dyslipidemia. J Med Chem, Volume 57 (10), 2014 J Med Chem 2014 24712661
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Kerns EH, Di L, Petusky S, Farris M, Ley R, Jupp P.
Kerns EH, Di L, Petusky S, Farris M, Ley R, Jupp P.
Combined application of parallel artificial membrane permeability assay and Caco-2 permeability assays in drug... Kerns EH, Di L, Petusky S, Farris M, Ley R, Jupp P.: Combined application of parallel artificial membrane permeability assay and Caco-2 permeability assays in drug discovery. J Pharm Sci, Volume 93 (6), 1440-1453, 2004 J Pharm Sci 2004 15124203
Total substances: 48
Total passive interactions: 48
Total active interactions: 0
Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore...
Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.
3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018 ACS Med Chem Lett 2018 30613320
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Kettle JG, Alwan H, Bista M, Breed J, Davies NL, Eckersley...
Kettle JG, Alwan H, Bista M, Breed J, Davies NL, Eckersley K, Fillery S, Foote KM, Goodwin L, Jones DR, Käck H, Lau A, Nissink JW, Read J, Scott JS, Taylor B, Walker G, Wissler L, Wylot M.
Potent and Selective Inhibitors of MTH1 Probe Its Role in Cancer Cell Survival. Kettle JG, Alwan H, Bista M, Breed J, Davies NL, Eckersley K, Fillery S, Foote KM, Goodwin L, Jones DR, Käck H, Lau A, Nissink JW, Read J, Scott JS, Taylor B, Walker G, Wissler L, Wylot M.: Potent and Selective Inhibitors of MTH1 Probe Its Role in Cancer Cell Survival. J Med Chem, Volume 59 (6), 2016 J Med Chem 2016 26878898
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Kettle JG, Anjum R, Barry E, Bhavsar D, Brown C, Boyd S,...
Kettle JG, Anjum R, Barry E, Bhavsar D, Brown C, Boyd S, Campbell A, Goldberg K, Grondine M, Guichard S, Hardy CJ, Hunt T, Jones RDO, Li X, Moleva O, Ogg D, Overman RC, Packer MJ, Pearson S, Schimpl M, Shao W, Smith A, Smith JM, Stead D, Stokes S, Tucker M, Ye Y.
Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1... Kettle JG, Anjum R, Barry E, Bhavsar D, Brown C, Boyd S, Campbell A, Goldberg K, Grondine M, Guichard S, Hardy CJ, Hunt T, Jones RDO, Li X, Moleva O, Ogg D, Overman RC, Packer MJ, Pearson S, Schimpl M, Shao W, Smith A, Smith JM, Stead D, Stokes S, Tucker M, Ye Y.: Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J Med Chem, Volume 61 (19), 2018 J Med Chem 2018 30204441
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Kettle JG, Bagal SK, Bickerton S, Bodnarchuk MS, Breed J,...
Kettle JG, Bagal SK, Bickerton S, Bodnarchuk MS, Breed J, Carbajo RJ, Cassar DJ, Chakraborty A, Cosulich S, Cumming I, Davies M, Eatherton A, Evans L, Feron L, Fillery S, Gleave ES, Goldberg FW, Harlfinger S, Hanson L, Howard M, Howells R, Jackson A, Kemmitt P, Kingston JK, Lamont S, Lewis HJ, Li S, Liu L, Ogg D, Phillips C, Polanski R, Robb G, Robinson D, Ross S, Smith JM, Tonge M, Whiteley R, Yang J, Zhang L, Zhao X.
Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase... Kettle JG, Bagal SK, Bickerton S, Bodnarchuk MS, Breed J, Carbajo RJ, Cassar DJ, Chakraborty A, Cosulich S, Cumming I, Davies M, Eatherton A, Evans L, Feron L, Fillery S, Gleave ES, Goldberg FW, Harlfinger S, Hanson L, Howard M, Howells R, Jackson A, Kemmitt P, Kingston JK, Lamont S, Lewis HJ, Li S, Liu L, Ogg D, Phillips C, Polanski R, Robb G, Robinson D, Ross S, Smith JM, Tonge M, Whiteley R, Yang J, Zhang L, Zhao X.: Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J Med Chem, Volume 63 (9), 2020 J Med Chem 2020 32023060
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Keung W, Boloor A, Brown J, Kiryanov A, Gangloff A, Lawson...
Keung W, Boloor A, Brown J, Kiryanov A, Gangloff A, Lawson JD, Skene R, Hoffman I, Atienza J, Kahana J, De Jong R, Farrell P, Balakrishna D, Halkowycz P.
Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate. Keung W, Boloor A, Brown J, Kiryanov A, Gangloff A, Lawson JD, Skene R, Hoffman I, Atienza J, Kahana J, De Jong R, Farrell P, Balakrishna D, Halkowycz P.: Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate. Bioorg Med Chem Lett, Volume 27 (4), 2017 Bioorg Med Chem Lett 2017 28082036
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Khalifa MM, Martorelli Di Genova B, McAlpine SG,...
Khalifa MM, Martorelli Di Genova B, McAlpine SG, Gallego-Lopez GM, Stevenson DM, Rozema SD, Monaghan NP, Morris JC, Knoll LJ, Golden JE.
Dual-Stage Picolinic Acid-Derived Inhibitors of Toxoplasma gondii. Khalifa MM, Martorelli Di Genova B, McAlpine SG, Gallego-Lopez GM, Stevenson DM, Rozema SD, Monaghan NP, Morris JC, Knoll LJ, Golden JE.: Dual-Stage Picolinic Acid-Derived Inhibitors of Toxoplasma gondii. ACS Med Chem Lett, Volume 11 (12), 2020 ACS Med Chem Lett 2020 33335660
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Khamdang S, Takeda M, Babu E, Noshiro R, Onozato ML, Tojo...
Khamdang S, Takeda M, Babu E, Noshiro R, Onozato ML, Tojo A, Enomoto A, Huang XL, Narikawa S, Anzai N, Piyachaturawat P, Endou H.
Interaction of human and rat organic anion transporter 2 with various cephalosporin antibiotics. Khamdang S, Takeda M, Babu E, Noshiro R, Onozato ML, Tojo A, Enomoto A, Huang XL, Narikawa S, Anzai N, Piyachaturawat P, Endou H.: Interaction of human and rat organic anion transporter 2 with various cephalosporin antibiotics. Eur J Pharmacol, Volume 465 (1-2), 2003 Eur J Pharmacol 2003 12650826
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Khamdang S, Takeda M, Shimoda M, Noshiro R, Narikawa S,...
Khamdang S, Takeda M, Shimoda M, Noshiro R, Narikawa S, Huang XL, Enomoto A, Piyachaturawat P, Endou H.
Interactions of human- and rat-organic anion transporters with pravastatin and cimetidine. Khamdang S, Takeda M, Shimoda M, Noshiro R, Narikawa S, Huang XL, Enomoto A, Piyachaturawat P, Endou H.: Interactions of human- and rat-organic anion transporters with pravastatin and cimetidine. J Pharmacol Sci, Volume 94 (2), 2004 J Pharmacol Sci 2004 14978359
Total substances: 2
Total passive interactions: 0
Total active interactions: 6
Khan PM, Correa RG, Divlianska DB, Peddibhotla S, Sessions...
Khan PM, Correa RG, Divlianska DB, Peddibhotla S, Sessions EH, Magnuson G, Brown B, Suyama E, Yuan H, Mangravita-Novo A, Vicchiarelli M, Su Y, Vasile S, Smith LH, Diaz PW, Reed JC, Roth GP.
Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. Khan PM, Correa RG, Divlianska DB, Peddibhotla S, Sessions EH, Magnuson G, Brown B, Suyama E, Yuan H, Mangravita-Novo A, Vicchiarelli M, Su Y, Vasile S, Smith LH, Diaz PW, Reed JC, Roth GP.: Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. ACS Med Chem Lett, Volume 2 (10), 2011 ACS Med Chem Lett 2011 22003428
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Khedkar NR, Irlapatti NR, Dadke D, Kanoje V, Shaikh Z,...
Khedkar NR, Irlapatti NR, Dadke D, Kanoje V, Shaikh Z, Karche V, Shinde V, Deshmukh G, Patil A, Jachak S, Phukan S, Kizhakinagath PA, Gholve M, Bhankhede T, Daler J, Nemade HN, Budhe S, Pareek H, Yeshodharan R, Gupta R, Kalia A, Pandey D, Wagh A, Kumar S, Patil V, Modi D, Sharma N, Ahirrao P, Mehta M, Kumar H, Nigade P, Tamane K, Mallurwar S, Kuldharan S, Pawar S, Vishwase G, Bokan S, Singh M, Naik K, Ingawale S, Shankar R, Kamalakannan P, Venugopal S, George SK, Padiya KJ, Nemmani KVS, Gundu J, Bhonde M, Narasimham L, Sindkhedkar M, Shah C, Sinha N, Sharma S, Bakhle D, Kamboj RK, Palle VP.
Discovery of a Novel Potent and Selective Calcium Release-Activated Calcium Channel Inhibitor:... Khedkar NR, Irlapatti NR, Dadke D, Kanoje V, Shaikh Z, Karche V, Shinde V, Deshmukh G, Patil A, Jachak S, Phukan S, Kizhakinagath PA, Gholve M, Bhankhede T, Daler J, Nemade HN, Budhe S, Pareek H, Yeshodharan R, Gupta R, Kalia A, Pandey D, Wagh A, Kumar S, Patil V, Modi D, Sharma N, Ahirrao P, Mehta M, Kumar H, Nigade P, Tamane K, Mallurwar S, Kuldharan S, Pawar S, Vishwase G, Bokan S, Singh M, Naik K, Ingawale S, Shankar R, Kamalakannan P, Venugopal S, George SK, Padiya KJ, Nemmani KVS, Gundu J, Bhonde M, Narasimham L, Sindkhedkar M, Shah C, Sinha N, Sharma S, Bakhle D, Kamboj RK, Palle VP.: Discovery of a Novel Potent and Selective Calcium Release-Activated Calcium Channel Inhibitor: 2,6-Difluoro-N-(2'-methyl-3'-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-[1,1'-biphenyl]-4-yl)benzamide. Structure-Activity Relationship and Preclinical Characterization. J Med Chem, Volume 64 (23), 2021 J Med Chem 2021 34843241
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Khiar-Fernández N, Zian D, Vázquez-Villa H, Martínez RF,...
Khiar-Fernández N, Zian D, Vázquez-Villa H, Martínez RF, Escobar-Peña A, Foronda-Sainz R, Ray M, Puigdomenech-Poch M, Cincilla G, Sánchez-Martínez M, Kihara Y, Chun J, López-Vales R, López-Rodríguez ML, Ortega-Gutiérrez S.
Novel Antagonist of the Type 2 Lysophosphatidic Acid Receptor (LPA2), UCM-14216, Ameliorates Spinal Cord... Khiar-Fernández N, Zian D, Vázquez-Villa H, Martínez RF, Escobar-Peña A, Foronda-Sainz R, Ray M, Puigdomenech-Poch M, Cincilla G, Sánchez-Martínez M, Kihara Y, Chun J, López-Vales R, López-Rodríguez ML, Ortega-Gutiérrez S.: Novel Antagonist of the Type 2 Lysophosphatidic Acid Receptor (LPA2), UCM-14216, Ameliorates Spinal Cord Injury in Mice. J Med Chem, Volume 65 (16), 2022 J Med Chem 2022 35948083
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Khunweeraphong N, Nagamori S, Wiriyasermkul P, Nishinaka Y,...
Khunweeraphong N, Nagamori S, Wiriyasermkul P, Nishinaka Y, Wongthai P, Ohgaki R, Tanaka H, Tominaga H, Sakurai H, Kanai Y.
Establishment of stable cell lines with high expression of heterodimers of human 4F2hc and human amino acid transporter... Khunweeraphong N, Nagamori S, Wiriyasermkul P, Nishinaka Y, Wongthai P, Ohgaki R, Tanaka H, Tominaga H, Sakurai H, Kanai Y.: Establishment of stable cell lines with high expression of heterodimers of human 4F2hc and human amino acid transporter LAT1 or LAT2 and delineation of their differential interaction with α-alkyl moieties. J Pharmacol Sci, Volume 119 (4), 2012 J Pharmacol Sci 2012 22850614
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Kido Y, Matsson P, Giacomini KM.
Kido Y, Matsson P, Giacomini KM.
Profiling of a prescription drug library for potential renal drug-drug interactions mediated by the organic cation... Kido Y, Matsson P, Giacomini KM.: Profiling of a prescription drug library for potential renal drug-drug interactions mediated by the organic cation transporter 2. J Med Chem, Volume 54 (13), 2011 J Med Chem 2011 21599003
Total substances: 7
Total passive interactions: 0
Total active interactions: 23
Kim CK, Riswanto R, Won TH, Kim H, Elya B, Sim CJ, Oh DC,...
Kim CK, Riswanto R, Won TH, Kim H, Elya B, Sim CJ, Oh DC, Oh KB, Shin J.
Manzamine Alkaloids from an Acanthostrongylophora sp. Sponge. Kim CK, Riswanto R, Won TH, Kim H, Elya B, Sim CJ, Oh DC, Oh KB, Shin J.: Manzamine Alkaloids from an Acanthostrongylophora sp. Sponge. J Nat Prod, Volume 80 (5), 2017 J Nat Prod 2017 28452477
Total substances: 3
Total passive interactions: 0
Total active interactions: 16
Kim CK, Woo JK, Kim SH, Cho E, Lee YJ, Lee HS, Sim CJ, Oh...
Kim CK, Woo JK, Kim SH, Cho E, Lee YJ, Lee HS, Sim CJ, Oh DC, Oh KB, Shin J.
Meroterpenoids from a Tropical Dysidea sp. Sponge. Kim CK, Woo JK, Kim SH, Cho E, Lee YJ, Lee HS, Sim CJ, Oh DC, Oh KB, Shin J.: Meroterpenoids from a Tropical Dysidea sp. Sponge. J Nat Prod, Volume 78 (11), 2015 J Nat Prod 2015 26551342
Total substances: 2
Total passive interactions: 0
Total active interactions: 9
Kim CY, Mahaney PE, McConnell O, Zhang Y, Manas E, Ho DM,...
Kim CY, Mahaney PE, McConnell O, Zhang Y, Manas E, Ho DM, Deecher DC, Trybulski EJ.
Discovery of a new series of monoamine reuptake inhibitors, the 1-amino-3-(1H-indol-1-yl)-3-phenylpropan-2-ols. Kim CY, Mahaney PE, McConnell O, Zhang Y, Manas E, Ho DM, Deecher DC, Trybulski EJ.: Discovery of a new series of monoamine reuptake inhibitors, the 1-amino-3-(1H-indol-1-yl)-3-phenylpropan-2-ols. Bioorg Med Chem Lett, Volume 19 (17), 2009 Bioorg Med Chem Lett 2009 19632110
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Kim DS, Lee J, Londhe AM, Kadayat TM, Joo J, Hwang H, Kim...
Kim DS, Lee J, Londhe AM, Kadayat TM, Joo J, Hwang H, Kim KH, Pae AN, Chin J, Cho SJ, Kang H.
Synthesis and evaluation of an orally available "Y"-shaped biaryl peroxisome proliferator-activated receptor δ agonist. Kim DS, Lee J, Londhe AM, Kadayat TM, Joo J, Hwang H, Kim KH, Pae AN, Chin J, Cho SJ, Kang H.: Synthesis and evaluation of an orally available "Y"-shaped biaryl peroxisome proliferator-activated receptor δ agonist. Bioorg Med Chem, Volume 26 (15), 2018 Bioorg Med Chem 2018 30054191
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Kim H, Kim MK, Choo H, Chong Y.
Kim H, Kim MK, Choo H, Chong Y.
Novel JAK1-selective benzimidazole inhibitors with enhanced membrane permeability. Kim H, Kim MK, Choo H, Chong Y.: Novel JAK1-selective benzimidazole inhibitors with enhanced membrane permeability. Bioorg Med Chem Lett, Volume 26 (14), 2016 Bioorg Med Chem Lett 2016 27261178
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Kim HM, Jeong BH, Hyon JY, An MJ, Seo MS, Hong JH, Lee KJ,...
Kim HM, Jeong BH, Hyon JY, An MJ, Seo MS, Hong JH, Lee KJ, Kim CH, Joo T, Hong SC, Cho BR.
Two-photon fluorescent turn-on probe for lipid rafts in live cell and tissue. Kim HM, Jeong BH, Hyon JY, An MJ, Seo MS, Hong JH, Lee KJ, Kim CH, Joo T, Hong SC, Cho BR.: Two-photon fluorescent turn-on probe for lipid rafts in live cell and tissue. J Am Chem Soc, Volume 130 (13), 4246-4247, 2008 J Am Chem Soc 2008 18331041
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Kim J, Woo SY, Im CY, Yoo EK, Lee S, Kim HJ, Hwang HJ, Cho...
Kim J, Woo SY, Im CY, Yoo EK, Lee S, Kim HJ, Hwang HJ, Cho JH, Lee WS, Yoon H, Kim S, Kwon OB, Hwang H, Kim KH, Jeon JH, Singh TD, Kim SW, Hwang SY, Choi HS, Lee IK, Kim SH, Jeon YH, Chin J, Cho SJ.
Insights of a Lead Optimization Study and Biological Evaluation of Novel 4-Hydroxytamoxifen Analogs as Estrogen-Related... Kim J, Woo SY, Im CY, Yoo EK, Lee S, Kim HJ, Hwang HJ, Cho JH, Lee WS, Yoon H, Kim S, Kwon OB, Hwang H, Kim KH, Jeon JH, Singh TD, Kim SW, Hwang SY, Choi HS, Lee IK, Kim SH, Jeon YH, Chin J, Cho SJ.: Insights of a Lead Optimization Study and Biological Evaluation of Novel 4-Hydroxytamoxifen Analogs as Estrogen-Related Receptor γ (ERRγ) Inverse Agonists. J Med Chem, Volume 59 (22), 2016 J Med Chem 2016 27805390
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Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ,...
Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ, Ryu CK, Choo HY.
Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their... Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ, Ryu CK, Choo HY.: Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their cytotoxicity and DNA topoisomerase II inhibitory activity. Bioorg Med Chem, Volume 15 (1), 2007 Bioorg Med Chem 2007 17035025
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Kim M, Hwang I, Pagire HS, Pagire SH, Choi W, Choi WG, Yoon...
Kim M, Hwang I, Pagire HS, Pagire SH, Choi W, Choi WG, Yoon J, Lee WM, Song JS, Yoo EK, Lee SM, Kim MJ, Bae MA, Kim D, Lee H, Lee EY, Jeon JH, Lee IK, Kim H, Ahn JH.
Design, Synthesis, and Biological Evaluation of New Peripheral 5HT2A Antagonists for Nonalcoholic Fatty... Kim M, Hwang I, Pagire HS, Pagire SH, Choi W, Choi WG, Yoon J, Lee WM, Song JS, Yoo EK, Lee SM, Kim MJ, Bae MA, Kim D, Lee H, Lee EY, Jeon JH, Lee IK, Kim H, Ahn JH.: Design, Synthesis, and Biological Evaluation of New Peripheral 5HT2A Antagonists for Nonalcoholic Fatty Liver Disease. J Med Chem, Volume 63 (8), 2020 J Med Chem 2020 32285676
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Kim MH, Park M, Song JS, Park SJ, Kim SH.
Kim MH, Park M, Song JS, Park SJ, Kim SH.
Anti-resorptive activity and pharmacokinetic study of... Kim MH, Park M, Song JS, Park SJ, Kim SH.: Anti-resorptive activity and pharmacokinetic study of N(1),N(1)-diisopropyl-N(2)-(diphenylphosphoryl)-2-(4-nitrophenyl)acetamidine. Bioorg Med Chem Lett, Volume 21 (14), 2011 Bioorg Med Chem Lett 2011 21669526
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Kim MH, Tsuhako AL, Co EW, Aftab DT, Bentzien F, Chen J,...
Kim MH, Tsuhako AL, Co EW, Aftab DT, Bentzien F, Chen J, Cheng W, Engst S, Goon L, Klein RR, Le DT, Mac M, Parks JJ, Qian F, Rodriquez M, Stout TJ, Till JH, Won KA, Wu X, Yakes FM, Yu P, Zhang W, Zhao Y, Lamb P, Nuss JM, Xu W.
The design, synthesis, and biological evaluation of potent receptor tyrosine kinase inhibitors. Kim MH, Tsuhako AL, Co EW, Aftab DT, Bentzien F, Chen J, Cheng W, Engst S, Goon L, Klein RR, Le DT, Mac M, Parks JJ, Qian F, Rodriquez M, Stout TJ, Till JH, Won KA, Wu X, Yakes FM, Yu P, Zhang W, Zhao Y, Lamb P, Nuss JM, Xu W.: The design, synthesis, and biological evaluation of potent receptor tyrosine kinase inhibitors. Bioorg Med Chem Lett, Volume 22 (15), 2012 Bioorg Med Chem Lett 2012 22765894
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Kim MJ, Lee SH, Park SO, Kang H, Lee JS, Lee KN, Jung ME,...
Kim MJ, Lee SH, Park SO, Kang H, Lee JS, Lee KN, Jung ME, Kim J, Lee J.
Novel macrocyclic C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents. Kim MJ, Lee SH, Park SO, Kang H, Lee JS, Lee KN, Jung ME, Kim J, Lee J.: Novel macrocyclic C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents. Bioorg Med Chem, Volume 19 (18), 2011 Bioorg Med Chem 2011 21868239
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kim MK, Shin H, Park KS, Kim H, Park J, Kim K, Nam J, Choo...
Kim MK, Shin H, Park KS, Kim H, Park J, Kim K, Nam J, Choo H, Chong Y.
Benzimidazole Derivatives as Potent JAK1-Selective Inhibitors. Kim MK, Shin H, Park KS, Kim H, Park J, Kim K, Nam J, Choo H, Chong Y.: Benzimidazole Derivatives as Potent JAK1-Selective Inhibitors. J Med Chem, Volume 58 (18), 2015 J Med Chem 2015 26351728
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Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q,...
Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.
PubChem 2023 update. Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023 Nucleic Acids Res 2023 36305812
Total substances: 45942
Total passive interactions: 45951
Total active interactions: 0
Kim SH, Johnson JA, Jiang J, Parkhurst B, Phillips M, Pi Z,...
Kim SH, Johnson JA, Jiang J, Parkhurst B, Phillips M, Pi Z, Qiao JX, Tora G, Ye Chen A, Liu E, Yin X, Yang R, Zhao L, Taylor DS, Basso M, Behnia K, Onorato J, Chen XQ, Abell LM, Lu H, Locke G, Caporuscio C, Adam LP, Gordon D, Wexler RR, Finlay HJ.
Identification of substituted benzothiazole sulfones as potent and selective inhibitors of endothelial lipase. Kim SH, Johnson JA, Jiang J, Parkhurst B, Phillips M, Pi Z, Qiao JX, Tora G, Ye Chen A, Liu E, Yin X, Yang R, Zhao L, Taylor DS, Basso M, Behnia K, Onorato J, Chen XQ, Abell LM, Lu H, Locke G, Caporuscio C, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Identification of substituted benzothiazole sulfones as potent and selective inhibitors of endothelial lipase. Bioorg Med Chem Lett, Volume 29 (15), 2019 Bioorg Med Chem Lett 2019 31176700
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Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H,...
Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR.
Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide... Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR.: Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (14), 2008 Bioorg Med Chem Lett 2008 18554907
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Kim W, Kang JA, Park M, Jeong PH, Kim YJ, Cho Y, Park SG,...
Kim W, Kang JA, Park M, Jeong PH, Kim YJ, Cho Y, Park SG, Kim YC.
Discovery of Novel Pyrimidine-Based Capsid Assembly Modulators as Potent Anti-HBV Agents. Kim W, Kang JA, Park M, Jeong PH, Kim YJ, Cho Y, Park SG, Kim YC.: Discovery of Novel Pyrimidine-Based Capsid Assembly Modulators as Potent Anti-HBV Agents. J Med Chem, Volume 64 (9), 2021 J Med Chem 2021 33887912
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Kim YH, Choi H, Lee J, Hwang IC, Moon SK, Kim SJ, Lee HW,...
Kim YH, Choi H, Lee J, Hwang IC, Moon SK, Kim SJ, Lee HW, Im DS, Lee SS, Ahn SK, Kim SW, Han CK, Yoon JH, Lee KJ, Choi NS.
Quinazolines as potent and highly selective PDE5 inhibitors as potential therapeutics for male erectile dysfunction. Kim YH, Choi H, Lee J, Hwang IC, Moon SK, Kim SJ, Lee HW, Im DS, Lee SS, Ahn SK, Kim SW, Han CK, Yoon JH, Lee KJ, Choi NS.: Quinazolines as potent and highly selective PDE5 inhibitors as potential therapeutics for male erectile dysfunction. Bioorg Med Chem Lett, Volume 18 (23), 2008 Bioorg Med Chem Lett 2008 18976905
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Young Hoon Kim, Seung Kyu Kang, Gwi Bin Lee, Kyu Myung...
Young Hoon Kim, Seung Kyu Kang, Gwi Bin Lee, Kyu Myung Lee, Jaladi Ashok Kumar, Ki Young Kim, Sang Dal Rhee, Jeongmin Joo, Myung Ae Bae, Won Koo Lee, Jin Hee Ahn
Synthesis and biological evaluation of α-sulfonamido-N-adamantanecarboxamide derivatives as 11β-HSD1 inhibitors Kim, Young Hoon; Seung Kyu Kang, Gwi Bin Lee, Kyu Myung Lee, Jaladi Ashok Kumar, Ki Young Kim, Sang Dal Rhee, Jeongmin Joo, Myung Ae Bae, Won Koo Lee, Jin Hee Ahn:Synthesis and biological evaluation of α-sulfonamido-N-adamantanecarboxamide derivatives as 11β-HSD1 inhibitors. Med. Chem. Commun., 2015,6, 1360-1369, 10.1039/C5MD00096C MedChemComm 2015 10.1039/C5MD000...
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Kimura H, Takeda M, Narikawa S, Enomoto A, Ichida K, Endou...
Kimura H, Takeda M, Narikawa S, Enomoto A, Ichida K, Endou H.
Human organic anion transporters and human organic cation transporters mediate renal transport of prostaglandins. Kimura H, Takeda M, Narikawa S, Enomoto A, Ichida K, Endou H.: Human organic anion transporters and human organic cation transporters mediate renal transport of prostaglandins. J Pharmacol Exp Ther, Volume 301 (1), 2002 J Pharmacol Exp Ther 2002 11907186
Total substances: 2
Total passive interactions: 0
Total active interactions: 10
Kimura Y, Aoki J, Kohno M, Ooka H, Tsuruo T, Nakanishi O.
Kimura Y, Aoki J, Kohno M, Ooka H, Tsuruo T, Nakanishi O.
P-glycoprotein inhibition by the multidrug resistance-reversing agent MS-209 enhances bioavailability and antitumor... Kimura Y, Aoki J, Kohno M, Ooka H, Tsuruo T, Nakanishi O.: P-glycoprotein inhibition by the multidrug resistance-reversing agent MS-209 enhances bioavailability and antitumor efficacy of orally administered paclitaxel. Cancer Chemother Pharmacol, Volume 49 (4), 2002 Cancer Chemother Pharmacol 2002 11914912
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kinney WA, McDonnell ME, Zhong HM, Liu C, Yang L, Ling W,...
Kinney WA, McDonnell ME, Zhong HM, Liu C, Yang L, Ling W, Qian T, Chen Y, Cai Z, Petkanas D, Brenneman DE.
Discovery of KLS-13019, a Cannabidiol-Derived Neuroprotective Agent, with Improved Potency, Safety, and Permeability. Kinney WA, McDonnell ME, Zhong HM, Liu C, Yang L, Ling W, Qian T, Chen Y, Cai Z, Petkanas D, Brenneman DE.: Discovery of KLS-13019, a Cannabidiol-Derived Neuroprotective Agent, with Improved Potency, Safety, and Permeability. ACS Med Chem Lett, Volume 7 (4), 2016 ACS Med Chem Lett 2016 27096053
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Kinoshita A, Higashino M, Yoshida K, Aratani Y, Kakuuchi A,...
Kinoshita A, Higashino M, Yoshida K, Aratani Y, Kakuuchi A, Hanada K, Takeda H, Naganawa A, Matsuya H, Ohmoto K.
Synthesis and evaluation of a potent, well-balanced EP2/EP3 dual agonist. Kinoshita A, Higashino M, Yoshida K, Aratani Y, Kakuuchi A, Hanada K, Takeda H, Naganawa A, Matsuya H, Ohmoto K.: Synthesis and evaluation of a potent, well-balanced EP2/EP3 dual agonist. Bioorg Med Chem, Volume 26 (1), 2018 Bioorg Med Chem 2018 29203142
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Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J,...
Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.
Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.: Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Bioorg Med Chem, Volume 17 (13), 2009 Bioorg Med Chem 2009 19482480
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Kirk R, Kirk R, Ratcliffe A, Noonan G, Uosis-Martin M, Lyth...
Kirk R, Kirk R, Ratcliffe A, Noonan G, Uosis-Martin M, Lyth D, Bardell-Cox O, Massam J, Schofield P, Lyons A, Clare D, Maclean J, Smith A, Savage V, Mohmed S, Charrier C, Salisbury AM, Moyo E, Ooi N, Chalam-Judge N, Cheung J, Stokes NR, Best S, Craighead M, Armer R, Huxley A.
Rational design, synthesis and testing of novel tricyclic topoisomerase inhibitors for the treatment of bacterial... Kirk R, Kirk R, Ratcliffe A, Noonan G, Uosis-Martin M, Lyth D, Bardell-Cox O, Massam J, Schofield P, Lyons A, Clare D, Maclean J, Smith A, Savage V, Mohmed S, Charrier C, Salisbury AM, Moyo E, Ooi N, Chalam-Judge N, Cheung J, Stokes NR, Best S, Craighead M, Armer R, Huxley A.: Rational design, synthesis and testing of novel tricyclic topoisomerase inhibitors for the treatment of bacterial infections part 2. RSC Med Chem, Volume 11 (12), 2020 RSC Med Chem 2020 34095845
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Kis O, Zastre JA, Ramaswamy M, Bendayan R.
Kis O, Zastre JA, Ramaswamy M, Bendayan R.
pH dependence of organic anion-transporting polypeptide 2B1 in Caco-2 cells: potential role in antiretroviral drug oral... Kis O, Zastre JA, Ramaswamy M, Bendayan R.: pH dependence of organic anion-transporting polypeptide 2B1 in Caco-2 cells: potential role in antiretroviral drug oral bioavailability and drug-drug interactions. J Pharmacol Exp Ther, Volume 334 (3), 2010 J Pharmacol Exp Ther 2010 20507927
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
Kiselyov AS, Milligan D, Ouyang X.
Kiselyov AS, Milligan D, Ouyang X.
Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Kiselyov AS, Milligan D, Ouyang X.: Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Bioorg Med Chem Lett, Volume 17 (13), 2007 Bioorg Med Chem Lett 2007 17481893
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Kiselyov AS, Piatnitski EL, Samet AV, Kisliy VP, Semenov VV.
Kiselyov AS, Piatnitski EL, Samet AV, Kisliy VP, Semenov VV.
ortho-Substituted azoles as selective and dual inhibitors of VEGF receptors 1 and 2. Kiselyov AS, Piatnitski EL, Samet AV, Kisliy VP, Semenov VV.: ortho-Substituted azoles as selective and dual inhibitors of VEGF receptors 1 and 2. Bioorg Med Chem Lett, Volume 17 (5), 2007 Bioorg Med Chem Lett 2007 17188873
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Kiselyov AS, Semenova M, Semenov VV, Milligan D.
Kiselyov AS, Semenova M, Semenov VV, Milligan D.
Inhibitors of VEGF receptors-1 and -2 based on the 2-((pyridin-4-yl)ethyl)pyridine template. Kiselyov AS, Semenova M, Semenov VV, Milligan D.: Inhibitors of VEGF receptors-1 and -2 based on the 2-((pyridin-4-yl)ethyl)pyridine template. Bioorg Med Chem Lett, Volume 16 (7), 2006 Bioorg Med Chem Lett 2006 16460936
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Kiselyov AS, Semenova M, Semenov VV.
Kiselyov AS, Semenova M, Semenov VV.
3,4-Disubstituted isothiazoles: novel potent inhibitors of VEGF receptors 1 and 2. Kiselyov AS, Semenova M, Semenov VV.: 3,4-Disubstituted isothiazoles: novel potent inhibitors of VEGF receptors 1 and 2. Bioorg Med Chem Lett, Volume 19 (4), 2009 Bioorg Med Chem Lett 2009 19124243
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Kitas E, Mohr P, Kuhn B, Hebeisen P, Wessel HP, Haap W, Ruf...
Kitas E, Mohr P, Kuhn B, Hebeisen P, Wessel HP, Haap W, Ruf A, Benz J, Joseph C, Huber W, Sanchez RA, Paehler A, Benardeau A, Gubler M, Schott B, Tozzo E.
Sulfonylureido thiazoles as fructose-1,6-bisphosphatase inhibitors for the treatment of type-2 diabetes. Kitas E, Mohr P, Kuhn B, Hebeisen P, Wessel HP, Haap W, Ruf A, Benz J, Joseph C, Huber W, Sanchez RA, Paehler A, Benardeau A, Gubler M, Schott B, Tozzo E.: Sulfonylureido thiazoles as fructose-1,6-bisphosphatase inhibitors for the treatment of type-2 diabetes. Bioorg Med Chem Lett, Volume 20 (2), 2010 Bioorg Med Chem Lett 2010 19969452
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Kitas EA, Galley G, Jakob-Roetne R, Flohr A, Wostl W,...
Kitas EA, Galley G, Jakob-Roetne R, Flohr A, Wostl W, Mauser H, Alker AM, Czech C, Ozmen L, David-Pierson P, Reinhardt D, Jacobsen H.
Substituted 2-oxo-azepane derivatives are potent, orally active gamma-secretase inhibitors. Kitas EA, Galley G, Jakob-Roetne R, Flohr A, Wostl W, Mauser H, Alker AM, Czech C, Ozmen L, David-Pierson P, Reinhardt D, Jacobsen H.: Substituted 2-oxo-azepane derivatives are potent, orally active gamma-secretase inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008 Bioorg Med Chem Lett 2008 17983746
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Kiyoi T, Adam JM, Clark JK, Davies K, Easson AM, Edwards D,...
Kiyoi T, Adam JM, Clark JK, Davies K, Easson AM, Edwards D, Feilden H, Fields R, Francis S, Jeremiah F, McArthur D, Morrison AJ, Prosser A, Ratcliffe PD, Schulz J, Wishart G, Baker J, Campbell R, Cottney JE, Deehan M, Epemolu O, Evans L.
Discovery of potent and orally bioavailable heterocycle-based cannabinoid CB1 receptor agonists. Kiyoi T, Adam JM, Clark JK, Davies K, Easson AM, Edwards D, Feilden H, Fields R, Francis S, Jeremiah F, McArthur D, Morrison AJ, Prosser A, Ratcliffe PD, Schulz J, Wishart G, Baker J, Campbell R, Cottney JE, Deehan M, Epemolu O, Evans L.: Discovery of potent and orally bioavailable heterocycle-based cannabinoid CB1 receptor agonists. Bioorg Med Chem Lett, Volume 21 (6), 2011 Bioorg Med Chem Lett 2011 21316962
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Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC,...
Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.
FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015 J Med Chem 2015 25666045
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Klein JT, Davis L, Olsen GE, Wong GS, Huger FP, Smith CP,...
Klein JT, Davis L, Olsen GE, Wong GS, Huger FP, Smith CP, Petko WW, Cornfeldt M, Wilker JC, Blitzer RD, Landau E, Haroutunian V, Martin LL, Effland RC.
Synthesis and structure-activity relationships of N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine) and related... Klein JT, Davis L, Olsen GE, Wong GS, Huger FP, Smith CP, Petko WW, Cornfeldt M, Wilker JC, Blitzer RD, Landau E, Haroutunian V, Martin LL, Effland RC.: Synthesis and structure-activity relationships of N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine) and related analogs as potential therapeutic agents for Alzheimer's disease. J Med Chem, Volume 39 (2), 1996 J Med Chem 1996 8558529
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J,...
Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Lüthi C, Scharenberg M, Bezençon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B.
FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo... Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Lüthi C, Scharenberg M, Bezençon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B.: FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem, Volume 53 (24), 2010 J Med Chem 2010 21105658
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Klein VG, Bond AG, Craigon C, Lokey RS, Ciulli A.
Klein VG, Bond AG, Craigon C, Lokey RS, Ciulli A.
Amide-to-Ester Substitution as a Strategy for Optimizing PROTAC Permeability and Cellular Activity. Klein VG, Bond AG, Craigon C, Lokey RS, Ciulli A.: Amide-to-Ester Substitution as a Strategy for Optimizing PROTAC Permeability and Cellular Activity. J Med Chem, Volume 64 (24), 2021 J Med Chem 2021 34881891
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Klein VG, Townsend CE, Testa A, Zengerle M, Maniaci C,...
Klein VG, Townsend CE, Testa A, Zengerle M, Maniaci C, Hughes SJ, Chan KH, Ciulli A, Lokey RS.
Understanding and Improving the Membrane Permeability of VH032-Based PROTACs. Klein VG, Townsend CE, Testa A, Zengerle M, Maniaci C, Hughes SJ, Chan KH, Ciulli A, Lokey RS.: Understanding and Improving the Membrane Permeability of VH032-Based PROTACs. ACS Med Chem Lett, Volume 11 (9), 2020 ACS Med Chem Lett 2020 32939229
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Kley JT, Mack J, Hamilton B, Scheuerer S, Redemann N.
Kley JT, Mack J, Hamilton B, Scheuerer S, Redemann N.
Discovery of BI 99179, a potent and selective inhibitor of type I fatty acid synthase with central exposure. Kley JT, Mack J, Hamilton B, Scheuerer S, Redemann N.: Discovery of BI 99179, a potent and selective inhibitor of type I fatty acid synthase with central exposure. Bioorg Med Chem Lett, Volume 21 (19), 2011 Bioorg Med Chem Lett 2011 21873051
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Kling A, Backfisch G, Delzer J, Geneste H, Graef C,...
Kling A, Backfisch G, Delzer J, Geneste H, Graef C, Holzenkamp U, Hornberger W, Lange UE, Lauterbach A, Mack H, Seitz W, Subkowski T.
Synthesis and SAR of N-substituted dibenzazepinone derivatives as novel potent and selective alpha(V)beta(3)... Kling A, Backfisch G, Delzer J, Geneste H, Graef C, Holzenkamp U, Hornberger W, Lange UE, Lauterbach A, Mack H, Seitz W, Subkowski T.: Synthesis and SAR of N-substituted dibenzazepinone derivatives as novel potent and selective alpha(V)beta(3) antagonists. Bioorg Med Chem Lett, Volume 12 (3), 2002 Bioorg Med Chem Lett 2002 11814816
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Klugbauer N, Lacinova L, Flockerzi V, Hofmann F.
Klugbauer N, Lacinova L, Flockerzi V, Hofmann F.
Structure and functional expression of a new member of the tetrodotoxin-sensitive voltage-activated sodium channel... Klugbauer N, Lacinova L, Flockerzi V, Hofmann F.: Structure and functional expression of a new member of the tetrodotoxin-sensitive voltage-activated sodium channel family from human neuroendocrine cells. EMBO J, Volume 14 (6), 1995 EMBO J 1995 7720699
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Klymchenko AS, Kreder R.
Klymchenko AS, Kreder R.
Fluorescent probes for lipid rafts: from model membranes to living cells. Klymchenko AS, Kreder R.: Fluorescent probes for lipid rafts: from model membranes to living cells. Chem Biol, Volume 21 (1), 97-113, 2014 Chem Biol 2014 24361047
Total substances: 38
Total passive interactions: 38
Total active interactions: 0
Klymchenko AS, Oncul S, Didier P, Schaub E, Bagatolli L,...
Klymchenko AS, Oncul S, Didier P, Schaub E, Bagatolli L, Duportail G, Mély Y.
Visualization of lipid domains in giant unilamellar vesicles using an environment-sensitive membrane probe based on... Klymchenko AS, Oncul S, Didier P, Schaub E, Bagatolli L, Duportail G, Mély Y.: Visualization of lipid domains in giant unilamellar vesicles using an environment-sensitive membrane probe based on 3-hydroxyflavone. Biochim Biophys Acta, Volume 1788 (2), 495-499, 2009 Biochim Biophys Acta 2009 19027712
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Knegtel R, Charrier JD, Durrant S, Davis C, O'Donnell M,...
Knegtel R, Charrier JD, Durrant S, Davis C, O'Donnell M, Storck P, MacCormick S, Kay D, Pinder J, Virani A, Twin H, Griffiths M, Reaper P, Littlewood P, Young S, Golec J, Pollard J.
Rational Design of 5-(4-(Isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine... Knegtel R, Charrier JD, Durrant S, Davis C, O'Donnell M, Storck P, MacCormick S, Kay D, Pinder J, Virani A, Twin H, Griffiths M, Reaper P, Littlewood P, Young S, Golec J, Pollard J.: Rational Design of 5-(4-(Isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine (VX-970, M6620): Optimization of Intra- and Intermolecular Polar Interactions of a New Ataxia Telangiectasia Mutated and Rad3-Related (ATR) Kinase Inhibitor. J Med Chem, Volume 62 (11), 2019 J Med Chem 2019 31074988
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Knerr L, Giordanetto F, Nordberg P, Pettersen D, Selmi N,...
Knerr L, Giordanetto F, Nordberg P, Pettersen D, Selmi N, Beisel HG, de la Motte H, Olsson T, Perkins TDJ, Herslöf M, Månsson Å, Dahlström M, Starke I, Broddefalk J, Saarinen G, Klingegård F, Hurt-Camejo E, Rosengren B, Brengdahl J, Jansen F, Rohman M, Sandmark J, Hallberg K, Åkerud T, Roth RG, Ahlqvist M.
Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2 Type X... Knerr L, Giordanetto F, Nordberg P, Pettersen D, Selmi N, Beisel HG, de la Motte H, Olsson T, Perkins TDJ, Herslöf M, Månsson Å, Dahlström M, Starke I, Broddefalk J, Saarinen G, Klingegård F, Hurt-Camejo E, Rosengren B, Brengdahl J, Jansen F, Rohman M, Sandmark J, Hallberg K, Åkerud T, Roth RG, Ahlqvist M.: Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2 Type X (sPLA2-X) Inhibitors. ACS Med Chem Lett, Volume 9 (7), 2018 ACS Med Chem Lett 2018 30034585
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Knez D, Coquelle N, Pišlar A, Žakelj S, Jukič M, Sova M,...
Knez D, Coquelle N, Pišlar A, Žakelj S, Jukič M, Sova M, Mravljak J, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.
Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant... Knez D, Coquelle N, Pišlar A, Žakelj S, Jukič M, Sova M, Mravljak J, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities. Eur J Med Chem, Volume 156, 2018 Eur J Med Chem 2018 30031971
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Knippenberg S, Fabre G, Osella S, Di Meo F, Paloncýová M,...
Knippenberg S, Fabre G, Osella S, Di Meo F, Paloncýová M, Ameloot M, Trouillas P.
Atomistic Picture of Fluorescent Probes with Hydrocarbon Tails in Lipid Bilayer Membranes: An Investigation of... Knippenberg S, Fabre G, Osella S, Di Meo F, Paloncýová M, Ameloot M, Trouillas P.: Atomistic Picture of Fluorescent Probes with Hydrocarbon Tails in Lipid Bilayer Membranes: An Investigation of Selective Affinities and Fluorescent Anisotropies in Different Environmental Phases. Langmuir, Volume 34 (30), 9072-9084, 2018 Langmuir 2018 29983063
Total substances: 2
Total passive interactions: 2
Total active interactions: 0
Knoepfel T, Nimsgern P, Jacquier S, Bourrel M,...
Knoepfel T, Nimsgern P, Jacquier S, Bourrel M, Vangrevelinghe E, Glatthar R, Behnke D, Alper PB, Michellys PY, Deane J, Junt T, Zipfel G, Limonta S, Hawtin S, Andre C, Boulay T, Loetscher P, Faller M, Blank J, Feifel R, Betschart C.
Target-Based Identification and Optimization of 5-Indazol-5-yl Pyridones as Toll-like Receptor 7 and 8 Antagonists... Knoepfel T, Nimsgern P, Jacquier S, Bourrel M, Vangrevelinghe E, Glatthar R, Behnke D, Alper PB, Michellys PY, Deane J, Junt T, Zipfel G, Limonta S, Hawtin S, Andre C, Boulay T, Loetscher P, Faller M, Blank J, Feifel R, Betschart C.: Target-Based Identification and Optimization of 5-Indazol-5-yl Pyridones as Toll-like Receptor 7 and 8 Antagonists Using a Biochemical TLR8 Antagonist Competition Assay. J Med Chem, Volume 63 (15), 2020 J Med Chem 2020 32786235
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Knust H, Achermann G, Ballard T, Buettelmann B, Gasser R,...
Knust H, Achermann G, Ballard T, Buettelmann B, Gasser R, Fischer H, Hernandez MC, Knoflach F, Koblet A, Stadler H, Thomas AW, Trube G, Waldmeier P.
The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5... Knust H, Achermann G, Ballard T, Buettelmann B, Gasser R, Fischer H, Hernandez MC, Knoflach F, Koblet A, Stadler H, Thomas AW, Trube G, Waldmeier P.: The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009 Bioorg Med Chem Lett 2009 19762240
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Knutsen LJ, Hobbs CJ, Earnshaw CG, Fiumana A, Gilbert J,...
Knutsen LJ, Hobbs CJ, Earnshaw CG, Fiumana A, Gilbert J, Mellor SL, Radford F, Smith NJ, Birch PJ, Russell Burley J, Ward SD, James IF.
Synthesis and SAR of novel 2-arylthiazolidinones as selective analgesic N-type calcium channel blockers. Knutsen LJ, Hobbs CJ, Earnshaw CG, Fiumana A, Gilbert J, Mellor SL, Radford F, Smith NJ, Birch PJ, Russell Burley J, Ward SD, James IF.: Synthesis and SAR of novel 2-arylthiazolidinones as selective analgesic N-type calcium channel blockers. Bioorg Med Chem Lett, Volume 17 (3), 2007 Bioorg Med Chem Lett 2007 17134896
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Kobayashi T, Iwama S, Fusano A, Kato Y, Ikeda A, Teranishi...
Kobayashi T, Iwama S, Fusano A, Kato Y, Ikeda A, Teranishi Y, Nishihara A, Tobe M.
Design and synthesis of an aminopiperidine series of γ-secretase modulators. Kobayashi T, Iwama S, Fusano A, Kato Y, Ikeda A, Teranishi Y, Nishihara A, Tobe M.: Design and synthesis of an aminopiperidine series of γ-secretase modulators. Bioorg Med Chem Lett, Volume 24 (1), 2014 Bioorg Med Chem Lett 2014 24269163
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Köck K, Xie Y, Hawke RL, Oberlies NH, Brouwer KL.
Köck K, Xie Y, Hawke RL, Oberlies NH, Brouwer KL.
Interaction of silymarin flavonolignans with organic anion-transporting polypeptides. Köck K, Xie Y, Hawke RL, Oberlies NH, Brouwer KL.: Interaction of silymarin flavonolignans with organic anion-transporting polypeptides. Drug Metab Dispos, Volume 41 (5), 2013 Drug Metab Dispos 2013 23401473
Total substances: 3
Total passive interactions: 0
Total active interactions: 6
Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth...
Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.
Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008 Bioorg Med Chem 2008 18468445
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Koda Y, Shiotani K, Toth I, Tsuda Y, Okada Y, Blanchfield...
Koda Y, Shiotani K, Toth I, Tsuda Y, Okada Y, Blanchfield JT.
Comparison of the in vitro apparent permeability and stability of opioid mimetic compounds with that of the native... Koda Y, Shiotani K, Toth I, Tsuda Y, Okada Y, Blanchfield JT.: Comparison of the in vitro apparent permeability and stability of opioid mimetic compounds with that of the native peptide. Bioorg Med Chem Lett, Volume 17 (7), 2007 Bioorg Med Chem Lett 2007 17300932
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Koehler MF, Bergeron P, Blackwood EM, Bowman K, Clark KR,...
Koehler MF, Bergeron P, Blackwood EM, Bowman K, Clark KR, Firestein R, Kiefer JR, Maskos K, McCleland ML, Orren L, Salphati L, Schmidt S, Schneider EV, Wu J, Beresini MH.
Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells. Koehler MF, Bergeron P, Blackwood EM, Bowman K, Clark KR, Firestein R, Kiefer JR, Maskos K, McCleland ML, Orren L, Salphati L, Schmidt S, Schneider EV, Wu J, Beresini MH.: Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells. ACS Med Chem Lett, Volume 7 (3), 2016 ACS Med Chem Lett 2016 26985305
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Koenig SH, Ahkong QF, Brown RD, Lafleur M, Spiller M, Unger...
Koenig SH, Ahkong QF, Brown RD, Lafleur M, Spiller M, Unger E, Tilcock C.
Permeability of liposomal membranes to water: results from the magnetic field dependence of T1 of solvent protons in... Koenig SH, Ahkong QF, Brown RD, Lafleur M, Spiller M, Unger E, Tilcock C.: Permeability of liposomal membranes to water: results from the magnetic field dependence of T1 of solvent protons in suspensions of vesicles with entrapped paramagnetic ions. Magn Reson Med, Volume 23 (2), 275-286, 1992 Magn Reson Med 1992 1549042
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Koepsell H, Lips K, Volk C.
Koepsell H, Lips K, Volk C.
Polyspecific organic cation transporters: structure, function, physiological roles, and biopharmaceutical implications. Koepsell H, Lips K, Volk C.: Polyspecific organic cation transporters: structure, function, physiological roles, and biopharmaceutical implications. Pharm Res, Volume 24 (7), 2007 Pharm Res 2007 17473959
Total substances: 44
Total passive interactions: 0
Total active interactions: 44
Kohara T, Nakayama K, Watanabe K, Kusaka SI, Sakai D,...
Kohara T, Nakayama K, Watanabe K, Kusaka SI, Sakai D, Tanaka H, Fukunaga K, Sunada S, Nabeno M, Saito KI, Eguchi JI, Mori A, Tanaka S, Bessho T, Takiguchi-Hayashi K, Horikawa T.
Discovery of novel 2-(4-aryl-2-methylpiperazin-1-yl)-pyrimidin-4-ones as glycogen synthase kinase-3β inhibitors. Kohara T, Nakayama K, Watanabe K, Kusaka SI, Sakai D, Tanaka H, Fukunaga K, Sunada S, Nabeno M, Saito KI, Eguchi JI, Mori A, Tanaka S, Bessho T, Takiguchi-Hayashi K, Horikawa T.: Discovery of novel 2-(4-aryl-2-methylpiperazin-1-yl)-pyrimidin-4-ones as glycogen synthase kinase-3β inhibitors. Bioorg Med Chem Lett, Volume 27 (16), 2017 Bioorg Med Chem Lett 2017 28712706
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Kohl B, Sturm E, Senn-Bilfinger J, Simon WA, Krüger U,...
Kohl B, Sturm E, Senn-Bilfinger J, Simon WA, Krüger U, Schaefer H, Rainer G, Figala V, Klemm K.
(H+,K+)-ATPase inhibiting 2-[(2-pyridylmethyl)sulfinyl]benzimidazoles. 4. A novel series of... Kohl B, Sturm E, Senn-Bilfinger J, Simon WA, Krüger U, Schaefer H, Rainer G, Figala V, Klemm K.: (H+,K+)-ATPase inhibiting 2-[(2-pyridylmethyl)sulfinyl]benzimidazoles. 4. A novel series of dimethoxypyridyl-substituted inhibitors with enhanced selectivity. The selection of pantoprazole as a clinical candidate. J Med Chem, Volume 35 (6), 1992 J Med Chem 1992 1313110
Total substances: 3
Total passive interactions: 0
Total active interactions: 27
Kojima T, Asano Y, Kurasawa O, Hirata Y, Iwamura N, Wong...
Kojima T, Asano Y, Kurasawa O, Hirata Y, Iwamura N, Wong TT, Saito B, Tanaka Y, Arai R, Yonemori K, Miyamoto Y, Sagiya Y, Yaguchi M, Shibata S, Mizutani A, Sano O, Adachi R, Satomi Y, Hirayama M, Aoyama K, Hiura Y, Kiba A, Kitamura S, Imamura S.
Discovery of novel serine palmitoyltransferase inhibitors as cancer therapeutic agents. Kojima T, Asano Y, Kurasawa O, Hirata Y, Iwamura N, Wong TT, Saito B, Tanaka Y, Arai R, Yonemori K, Miyamoto Y, Sagiya Y, Yaguchi M, Shibata S, Mizutani A, Sano O, Adachi R, Satomi Y, Hirayama M, Aoyama K, Hiura Y, Kiba A, Kitamura S, Imamura S.: Discovery of novel serine palmitoyltransferase inhibitors as cancer therapeutic agents. Bioorg Med Chem, Volume 26 (9), 2018 Bioorg Med Chem 2018 29669694
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Koltun DO, Parkhill EQ, Elzein E, Kobayashi T, Notte GT,...
Koltun DO, Parkhill EQ, Elzein E, Kobayashi T, Notte GT, Kalla R, Jiang RH, Li X, Perry TD, Avila B, Wang WQ, Smith-Maxwell C, Dhalla AK, Rajamani S, Stafford B, Tang J, Mollova N, Belardinelli L, Zablocki JA.
Discovery of triazolopyridine GS-458967, a late sodium current inhibitor (Late INai) of the cardiac NaV 1.5 channel... Koltun DO, Parkhill EQ, Elzein E, Kobayashi T, Notte GT, Kalla R, Jiang RH, Li X, Perry TD, Avila B, Wang WQ, Smith-Maxwell C, Dhalla AK, Rajamani S, Stafford B, Tang J, Mollova N, Belardinelli L, Zablocki JA.: Discovery of triazolopyridine GS-458967, a late sodium current inhibitor (Late INai) of the cardiac NaV 1.5 channel with improved efficacy and potency relative to ranolazine. Bioorg Med Chem Lett, Volume 26 (13), 2016 Bioorg Med Chem Lett 2016 27080178
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI,...
Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.
Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009 Bioorg Med Chem Lett 2009 19394219
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Koltun DO, Zilbershtein TM, Migulin VA, Vasilevich NI,...
Koltun DO, Zilbershtein TM, Migulin VA, Vasilevich NI, Parkhill EQ, Glushkov AI, McGregor MJ, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.
Potent, orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Koltun DO, Zilbershtein TM, Migulin VA, Vasilevich NI, Parkhill EQ, Glushkov AI, McGregor MJ, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Potent, orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (15), 2009 Bioorg Med Chem Lett 2009 19577469
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Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry...
Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT, Balogh GT.
Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural... Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT, Balogh GT.: Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural product-based CNS drug discovery. J Nat Prod, Volume 76 (4), 2013 J Nat Prod 2013 23565574
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Kong NR, Liu H, Che J, Jones LH.
Kong NR, Liu H, Che J, Jones LH.
Physicochemistry of Cereblon Modulating Drugs Determines Pharmacokinetics and Disposition. Kong NR, Liu H, Che J, Jones LH.: Physicochemistry of Cereblon Modulating Drugs Determines Pharmacokinetics and Disposition. ACS Med Chem Lett, Volume 12 (11), 2021 ACS Med Chem Lett 2021 34795877
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König J, Cui Y, Nies AT, Keppler D.
König J, Cui Y, Nies AT, Keppler D.
A novel human organic anion transporting polypeptide localized to the basolateral hepatocyte membrane. König J, Cui Y, Nies AT, Keppler D.: A novel human organic anion transporting polypeptide localized to the basolateral hepatocyte membrane. Am J Physiol Gastrointest Liver Physiol, Volume 278 (1), 2000 Am J Physiol Gastrointest Liver Physiol 2000 10644574
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
König J, Glaeser H, Keiser M, Mandery K, Klotz U, Fromm MF.
König J, Glaeser H, Keiser M, Mandery K, Klotz U, Fromm MF.
Role of organic anion-transporting polypeptides for cellular mesalazine (5-aminosalicylic acid) uptake. König J, Glaeser H, Keiser M, Mandery K, Klotz U, Fromm MF.: Role of organic anion-transporting polypeptides for cellular mesalazine (5-aminosalicylic acid) uptake. Drug Metab Dispos, Volume 39 (6), 2011 Drug Metab Dispos 2011 21430235
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
König SK, Herzog M, Theile D, Zembruski N, Haefeli WE,...
König SK, Herzog M, Theile D, Zembruski N, Haefeli WE, Weiss J.
Impact of drug transporters on cellular resistance towards saquinavir and darunavir. König SK, Herzog M, Theile D, Zembruski N, Haefeli WE, Weiss J.: Impact of drug transporters on cellular resistance towards saquinavir and darunavir. J Antimicrob Chemother, Volume 65 (11), 2010 J Antimicrob Chemother 2010 20817741
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Konno S, Kobayashi K, Senda M, Funai Y, Seki Y, Tamai I,...
Konno S, Kobayashi K, Senda M, Funai Y, Seki Y, Tamai I, Schäkel L, Sakata K, Pillaiyar T, Taguchi A, Taniguchi A, Gütschow M, Müller CE, Takeuchi K, Hirohama M, Kawaguchi A, Kojima M, Senda T, Shirasaka Y, Kamitani W, Hayashi Y.
3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents. Konno S, Kobayashi K, Senda M, Funai Y, Seki Y, Tamai I, Schäkel L, Sakata K, Pillaiyar T, Taguchi A, Taniguchi A, Gütschow M, Müller CE, Takeuchi K, Hirohama M, Kawaguchi A, Kojima M, Senda T, Shirasaka Y, Kamitani W, Hayashi Y.: 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents. J Med Chem, Volume 65 (4), 2022 J Med Chem 2022 34313428
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Konstantinović J, Kiris E, Kota KP, Kugelman-Tonos J,...
Konstantinović J, Kiris E, Kota KP, Kugelman-Tonos J, Videnović M, Cazares LH, Terzić Jovanović N, Verbić TŽ, Andjelković B, Duplantier AJ, Bavari S, Šolaja BA.
New Steroidal 4-Aminoquinolines Antagonize Botulinum Neurotoxin Serotype A in Mouse Embryonic Stem Cell Derived Motor... Konstantinović J, Kiris E, Kota KP, Kugelman-Tonos J, Videnović M, Cazares LH, Terzić Jovanović N, Verbić TŽ, Andjelković B, Duplantier AJ, Bavari S, Šolaja BA.: New Steroidal 4-Aminoquinolines Antagonize Botulinum Neurotoxin Serotype A in Mouse Embryonic Stem Cell Derived Motor Neurons in Postintoxication Model. J Med Chem, Volume 61 (4), 2018 J Med Chem 2018 29385334
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Konteatis Z, Travins J, Gross S, Marjon K, Barnett A,...
Konteatis Z, Travins J, Gross S, Marjon K, Barnett A, Mandley E, Nicolay B, Nagaraja R, Chen Y, Sun Y, Liu Z, Yu J, Ye Z, Jiang F, Wei W, Fang C, Gao Y, Kalev P, Hyer ML, DeLaBarre B, Jin L, Padyana AK, Dang L, Murtie J, Biller SA, Sui Z, Marks KM.
Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP... Konteatis Z, Travins J, Gross S, Marjon K, Barnett A, Mandley E, Nicolay B, Nagaraja R, Chen Y, Sun Y, Liu Z, Yu J, Ye Z, Jiang F, Wei W, Fang C, Gao Y, Kalev P, Hyer ML, DeLaBarre B, Jin L, Padyana AK, Dang L, Murtie J, Biller SA, Sui Z, Marks KM.: Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J Med Chem, Volume 64 (8), 2021 J Med Chem 2021 33829783
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Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G,...
Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.
Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020 Bioorg Med Chem Lett 2020 31706667
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Koppitz M, Bräuer N, Ter Laak A, Irlbacher H, Rotgeri A,...
Koppitz M, Bräuer N, Ter Laak A, Irlbacher H, Rotgeri A, Coelho AM, Walter D, Steinmeyer A, Zollner TM, Peters M, Nagel J.
Discovery and optimization of pyridyl-cycloalkyl-carboxylic acids as inhibitors of microsomal prostaglandin E... Koppitz M, Bräuer N, Ter Laak A, Irlbacher H, Rotgeri A, Coelho AM, Walter D, Steinmeyer A, Zollner TM, Peters M, Nagel J.: Discovery and optimization of pyridyl-cycloalkyl-carboxylic acids as inhibitors of microsomal prostaglandin E synthase-1 for the treatment of endometriosis. Bioorg Med Chem Lett, Volume 29 (18), 2019 Bioorg Med Chem Lett 2019 31362919
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Kopplow K, Letschert K, König J, Walter B, Keppler D.
Kopplow K, Letschert K, König J, Walter B, Keppler D.
Human hepatobiliary transport of organic anions analyzed by quadruple-transfected cells. Kopplow K, Letschert K, König J, Walter B, Keppler D.: Human hepatobiliary transport of organic anions analyzed by quadruple-transfected cells. Mol Pharmacol, Volume 68 (4), 2005 Mol Pharmacol 2005 16046661
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Koriyama Y, Hori A, Ito H, Yonezawa S, Baba Y, Tanimoto N,...
Koriyama Y, Hori A, Ito H, Yonezawa S, Baba Y, Tanimoto N, Ueno T, Yamamoto S, Yamamoto T, Asada N, Morimoto K, Einaru S, Sakai K, Kanazu T, Matsuda A, Yamaguchi Y, Oguma T, Timmers M, Tritsmans L, Kusakabe KI, Kato A, Sakaguchi G.
Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based β-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor... Koriyama Y, Hori A, Ito H, Yonezawa S, Baba Y, Tanimoto N, Ueno T, Yamamoto S, Yamamoto T, Asada N, Morimoto K, Einaru S, Sakai K, Kanazu T, Matsuda A, Yamaguchi Y, Oguma T, Timmers M, Tritsmans L, Kusakabe KI, Kato A, Sakaguchi G.: Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based β-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial. J Med Chem, Volume 64 (4), 2021 J Med Chem 2021 33588527
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Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F,...
Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.
N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional... Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017 Bioorg Med Chem 2017 27908752
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Kosugi T, Mitchell DR, Fujino A, Imai M, Kambe M, Kobayashi...
Kosugi T, Mitchell DR, Fujino A, Imai M, Kambe M, Kobayashi S, Makino H, Matsueda Y, Oue Y, Komatsu K, Imaizumi K, Sakai Y, Sugiura S, Takenouchi O, Unoki G, Yamakoshi Y, Cunliffe V, Frearson J, Gordon R, Harris CJ, Kalloo-Hosein H, Le J, Patel G, Simpson DJ, Sherborne B, Thomas PS, Suzuki N, Takimoto-Kamimura M, Kataoka K.
Mitogen-activated protein kinase-activated protein kinase 2 (MAPKAP-K2) as an antiinflammatory target: discovery and in... Kosugi T, Mitchell DR, Fujino A, Imai M, Kambe M, Kobayashi S, Makino H, Matsueda Y, Oue Y, Komatsu K, Imaizumi K, Sakai Y, Sugiura S, Takenouchi O, Unoki G, Yamakoshi Y, Cunliffe V, Frearson J, Gordon R, Harris CJ, Kalloo-Hosein H, Le J, Patel G, Simpson DJ, Sherborne B, Thomas PS, Suzuki N, Takimoto-Kamimura M, Kataoka K.: Mitogen-activated protein kinase-activated protein kinase 2 (MAPKAP-K2) as an antiinflammatory target: discovery and in vivo activity of selective pyrazolo[1,5-a]pyrimidine inhibitors using a focused library and structure-based optimization approach. J Med Chem, Volume 55 (15), 2012 J Med Chem 2012 22746295
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Kotoku M, Maeba T, Fujioka S, Yokota M, Seki N, Ito K, Suwa...
Kotoku M, Maeba T, Fujioka S, Yokota M, Seki N, Ito K, Suwa Y, Ikenogami T, Hirata K, Hase Y, Katsuda Y, Miyagawa N, Arita K, Asahina K, Noguchi M, Nomura A, Doi S, Adachi T, Crowe P, Tao H, Thacher S, Hashimoto H, Suzuki T, Shiozaki M.
Discovery of Second Generation RORγ Inhibitors Composed of an Azole Scaffold. Kotoku M, Maeba T, Fujioka S, Yokota M, Seki N, Ito K, Suwa Y, Ikenogami T, Hirata K, Hase Y, Katsuda Y, Miyagawa N, Arita K, Asahina K, Noguchi M, Nomura A, Doi S, Adachi T, Crowe P, Tao H, Thacher S, Hashimoto H, Suzuki T, Shiozaki M.: Discovery of Second Generation RORγ Inhibitors Composed of an Azole Scaffold. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30776227
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Kowalska M, Nowaczyk J, Nowaczyk A.
Kowalska M, Nowaczyk J, Nowaczyk A.
KV11.1, NaV1.5, and CaV1.2 Transporter Proteins as Antitarget for Drug Cardiotoxicity. Kowalska M, Nowaczyk J, Nowaczyk A.: KV11.1, NaV1.5, and CaV1.2 Transporter Proteins as Antitarget for Drug Cardiotoxicity. Int J Mol Sci, Volume 21 (21), 2020 Int J Mol Sci 2020 33143033
Total substances: 55
Total passive interactions: 0
Total active interactions: 55
Kozikowski AP, Onajole OK, Stec J, Dupont C, Viljoen A,...
Kozikowski AP, Onajole OK, Stec J, Dupont C, Viljoen A, Richard M, Chaira T, Lun S, Bishai W, Raj VS, Ordway D, Kremer L.
Targeting Mycolic Acid Transport by Indole-2-carboxamides for the Treatment of Mycobacterium abscessus Infections. Kozikowski AP, Onajole OK, Stec J, Dupont C, Viljoen A, Richard M, Chaira T, Lun S, Bishai W, Raj VS, Ordway D, Kremer L.: Targeting Mycolic Acid Transport by Indole-2-carboxamides for the Treatment of Mycobacterium abscessus Infections. J Med Chem, Volume 60 (13), 2017 J Med Chem 2017 28574259
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Kraft ME, Glaeser H, Mandery K, König J, Auge D, Fromm MF,...
Kraft ME, Glaeser H, Mandery K, König J, Auge D, Fromm MF, Schlötzer-Schrehardt U, Welge-Lüssen U, Kruse FE, Zolk O.
The prostaglandin transporter OATP2A1 is expressed in human ocular tissues and transports the antiglaucoma prostanoid... Kraft ME, Glaeser H, Mandery K, König J, Auge D, Fromm MF, Schlötzer-Schrehardt U, Welge-Lüssen U, Kruse FE, Zolk O.: The prostaglandin transporter OATP2A1 is expressed in human ocular tissues and transports the antiglaucoma prostanoid latanoprost. Invest Ophthalmol Vis Sci, Volume 51 (5), 2010 Invest Ophthalmol Vis Sci 2010 20019365
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Krapf MK, Gallus J, Vahdati S, Wiese M.
Krapf MK, Gallus J, Vahdati S, Wiese M.
New Inhibitors of Breast Cancer Resistance Protein (ABCG2) Containing a 2,4-Disubstituted Pyridopyrimidine Scaffold. Krapf MK, Gallus J, Vahdati S, Wiese M.: New Inhibitors of Breast Cancer Resistance Protein (ABCG2) Containing a 2,4-Disubstituted Pyridopyrimidine Scaffold. J Med Chem, Volume 61 (8), 2018 J Med Chem 2018 29547272
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Krasavin M, Lukin A, Bagnyukova D, Zhurilo N, Zahanich I,...
Krasavin M, Lukin A, Bagnyukova D, Zhurilo N, Zahanich I, Zozulya S, Ihalainen J, Forsberg MM, Lehtonen M, Rautio J, Moore D, Tikhonova IG.
Free fatty acid receptor 1 (GPR40) agonists containing spirocyclic periphery inspired by LY2881835. Krasavin M, Lukin A, Bagnyukova D, Zhurilo N, Zahanich I, Zozulya S, Ihalainen J, Forsberg MM, Lehtonen M, Rautio J, Moore D, Tikhonova IG.: Free fatty acid receptor 1 (GPR40) agonists containing spirocyclic periphery inspired by LY2881835. Bioorg Med Chem, Volume 24 (21), 2016 Bioorg Med Chem 2016 27647366
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Krauze A, Grinberga S, Krasnova L, Adlere I, Sokolova E,...
Krauze A, Grinberga S, Krasnova L, Adlere I, Sokolova E, Domracheva I, Shestakova I, Andzans Z, Duburs G.
Thieno[2,3-b]pyridines--a new class of multidrug resistance (MDR) modulators. Krauze A, Grinberga S, Krasnova L, Adlere I, Sokolova E, Domracheva I, Shestakova I, Andzans Z, Duburs G.: Thieno[2,3-b]pyridines--a new class of multidrug resistance (MDR) modulators. Bioorg Med Chem, Volume 22 (21), 2014 Bioorg Med Chem 2014 25311564
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Krech T, Scheuerer E, Geffers R, Kreipe H, Lehmann U,...
Krech T, Scheuerer E, Geffers R, Kreipe H, Lehmann U, Christgen M.
ABCB1/MDR1 contributes to the anticancer drug-resistant phenotype of IPH-926 human lobular breast cancer cells. Krech T, Scheuerer E, Geffers R, Kreipe H, Lehmann U, Christgen M.: ABCB1/MDR1 contributes to the anticancer drug-resistant phenotype of IPH-926 human lobular breast cancer cells. Cancer Lett, Volume 315 (2), 2012 Cancer Lett 2012 22118813
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kreder R., Oncul S., Kucherak O.A., Pyrshev K.A., Real E.,...
Kreder R., Oncul S., Kucherak O.A., Pyrshev K.A., Real E., Mely Y., Klymchenko A.S.
Blue fluorogenic probes for cell plasma membranes fill the gap in multicolour imaging. Kreder R., Oncul S., Kucherak O.A., Pyrshev K.A., Real E., Mely Y., Klymchenko A.S.: Blue fluorogenic probes for cell plasma membranes fill the gap in multicolour imaging. RSC Adv., 5, 22899, 2015. RSC Adv. 2015 10.1039/C4RA162...
Total substances: 2
Total passive interactions: 2
Total active interactions: 0
Kreft AF, Martone R, Porte A.
Kreft AF, Martone R, Porte A.
Recent advances in the identification of gamma-secretase inhibitors to clinically test the Abeta oligomer hypothesis of... Kreft AF, Martone R, Porte A.: Recent advances in the identification of gamma-secretase inhibitors to clinically test the Abeta oligomer hypothesis of Alzheimer's disease. J Med Chem, Volume 52 (20), 2009 J Med Chem 2009 19694467
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Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu...
Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.
Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008 Bioorg Med Chem Lett 2008 18420408
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Krieger V, Hamacher A, Gertzen CGW, Senger J, Zwinderman...
Krieger V, Hamacher A, Gertzen CGW, Senger J, Zwinderman MRH, Marek M, Romier C, Dekker FJ, Kurz T, Jung M, Gohlke H, Kassack MU, Hansen FK.
Design, Multicomponent Synthesis, and Anticancer Activity of a Focused Histone Deacetylase (HDAC) Inhibitor Library... Krieger V, Hamacher A, Gertzen CGW, Senger J, Zwinderman MRH, Marek M, Romier C, Dekker FJ, Kurz T, Jung M, Gohlke H, Kassack MU, Hansen FK.: Design, Multicomponent Synthesis, and Anticancer Activity of a Focused Histone Deacetylase (HDAC) Inhibitor Library with Peptoid-Based Cap Groups. J Med Chem, Volume 60 (13), 2017 J Med Chem 2017 28574690
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Kriegl JM, Martyres D, Grundl MA, Anderskewitz R, Dollinger...
Kriegl JM, Martyres D, Grundl MA, Anderskewitz R, Dollinger H, Rast G, Schmid B, Seither P, Tautermann CS.
Rodent selectivity of piperidine-4-yl-1H-indoles, a series of CC chemokine receptor-3 (CCR3) antagonists: insights from... Kriegl JM, Martyres D, Grundl MA, Anderskewitz R, Dollinger H, Rast G, Schmid B, Seither P, Tautermann CS.: Rodent selectivity of piperidine-4-yl-1H-indoles, a series of CC chemokine receptor-3 (CCR3) antagonists: insights from a receptor model. Bioorg Med Chem Lett, Volume 25 (2), 2015 Bioorg Med Chem Lett 2015 25497216
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Kristensen JL, Püschl A, Jensen M, Risgaard R,...
Kristensen JL, Püschl A, Jensen M, Risgaard R, Christoffersen CT, Bang-Andersen B, Balle T.
Exploring the neuroleptic substituent in octoclothepin: potential ligands for positron emission tomography with... Kristensen JL, Püschl A, Jensen M, Risgaard R, Christoffersen CT, Bang-Andersen B, Balle T.: Exploring the neuroleptic substituent in octoclothepin: potential ligands for positron emission tomography with subnanomolar affinity for α(1)-adrenoceptors. J Med Chem, Volume 53 (19), 2010 J Med Chem 2010 20857909
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Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA,...
Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.
Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused... Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.: Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif. Bioorg Med Chem Lett, Volume 23 (12), 2013 Bioorg Med Chem Lett 2013 23664214
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Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe...
Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.
Synthesis and structure-activity relationship of tricyclic carboxylic acids as novel anti-histamines. Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationship of tricyclic carboxylic acids as novel anti-histamines. Bioorg Med Chem, Volume 19 (9), 2011 Bioorg Med Chem 2011 21470866
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Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe...
Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.
Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel... Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009 Bioorg Med Chem Lett 2009 19362477
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Kucherak O.A., Didier P., Mely Y., Klymchenko A.S.
Kucherak O.A., Didier P., Mely Y., Klymchenko A.S.
Fluorene Analogues of Prodan with Superior Fluorescence Brightness and Solvatochromism. Kucherak O.A., Didier P., Mely Y., Klymchenko A.S.: Fluorene Analogues of Prodan with Superior Fluorescence Brightness and Solvatochromism. J. Phys. Chem. Lett., 1, 616, 2010. J. Phys. Chem. Lett. 2010 10.1021/jz90036...
Total substances: 2
Total passive interactions: 2
Total active interactions: 0
Kucherak OA, Oncul S, Darwich Z, Yushchenko DA, Arntz Y,...
Kucherak OA, Oncul S, Darwich Z, Yushchenko DA, Arntz Y, Didier P, Mély Y, Klymchenko AS.
Switchable nile red-based probe for cholesterol and lipid order at the outer leaflet of biomembranes. Kucherak OA, Oncul S, Darwich Z, Yushchenko DA, Arntz Y, Didier P, Mély Y, Klymchenko AS.: Switchable nile red-based probe for cholesterol and lipid order at the outer leaflet of biomembranes. J Am Chem Soc, Volume 132 (13), 4907-4916, 2010 J Am Chem Soc 2010 20225874
Total substances: 2
Total passive interactions: 2
Total active interactions: 0
Kuduk SD, Chang RK, Greshock TJ, Ray WJ, Ma L, Wittmann M,...
Kuduk SD, Chang RK, Greshock TJ, Ray WJ, Ma L, Wittmann M, Seager MA, Koeplinger KA, Thompson CD, Hartman GD, Bilodeau MT.
Identification of amides as carboxylic Acid surrogates for quinolizidinone-based m1 positive allosteric modulators. Kuduk SD, Chang RK, Greshock TJ, Ray WJ, Ma L, Wittmann M, Seager MA, Koeplinger KA, Thompson CD, Hartman GD, Bilodeau MT.: Identification of amides as carboxylic Acid surrogates for quinolizidinone-based m1 positive allosteric modulators. ACS Med Chem Lett, Volume 3 (12), 2012 ACS Med Chem Lett 2012 24900430
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Kuduk SD, Di Marco CN, Bodmer-Narkevitch V, Cook SP, Cato...
Kuduk SD, Di Marco CN, Bodmer-Narkevitch V, Cook SP, Cato MJ, Jovanovska A, Urban MO, Leitl M, Sain N, Liang A, Spencer RH, Kane SA, Hartman GD, Bilodeau MT.
Synthesis, structure-activity relationship, and pharmacological profile of analogs of the ASIC-3 inhibitor A-317567. Kuduk SD, Di Marco CN, Bodmer-Narkevitch V, Cook SP, Cato MJ, Jovanovska A, Urban MO, Leitl M, Sain N, Liang A, Spencer RH, Kane SA, Hartman GD, Bilodeau MT.: Synthesis, structure-activity relationship, and pharmacological profile of analogs of the ASIC-3 inhibitor A-317567. ACS Chem Neurosci, Volume 1 (1), 2010 ACS Chem Neurosci 2010 22778804
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kuduk SD, Di Marco CN, Chang RK, Dipardo RM, Cook SP, Cato...
Kuduk SD, Di Marco CN, Chang RK, Dipardo RM, Cook SP, Cato MJ, Jovanovska A, Urban MO, Leitl M, Spencer RH, Kane SA, Bilodeau MT, Hartman GD, Bock MG.
Amiloride derived inhibitors of acid-sensing ion channel-3 (ASIC3). Kuduk SD, Di Marco CN, Chang RK, Dipardo RM, Cook SP, Cato MJ, Jovanovska A, Urban MO, Leitl M, Spencer RH, Kane SA, Bilodeau MT, Hartman GD, Bock MG.: Amiloride derived inhibitors of acid-sensing ion channel-3 (ASIC3). Bioorg Med Chem Lett, Volume 19 (9), 2009 Bioorg Med Chem Lett 2009 19339181
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kuduk SD, Di Marco CN, Chang RK, Wood MR, Schirripa KM, Kim...
Kuduk SD, Di Marco CN, Chang RK, Wood MR, Schirripa KM, Kim JJ, Wai JM, DiPardo RM, Murphy KL, Ransom RW, Harrell CM, Reiss DR, Holahan MA, Cook J, Hess JF, Sain N, Urban MO, Tang C, Prueksaritanont T, Pettibone DJ, Bock MG.
Development of orally bioavailable and CNS penetrant biphenylaminocyclopropane carboxamide bradykinin B1 receptor... Kuduk SD, Di Marco CN, Chang RK, Wood MR, Schirripa KM, Kim JJ, Wai JM, DiPardo RM, Murphy KL, Ransom RW, Harrell CM, Reiss DR, Holahan MA, Cook J, Hess JF, Sain N, Urban MO, Tang C, Prueksaritanont T, Pettibone DJ, Bock MG.: Development of orally bioavailable and CNS penetrant biphenylaminocyclopropane carboxamide bradykinin B1 receptor antagonists. J Med Chem, Volume 50 (2), 2007 J Med Chem 2007 17228869
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Kühl N, Graf D, Bock J, Behnam MAM, Leuthold MM, Klein CD.
Kühl N, Graf D, Bock J, Behnam MAM, Leuthold MM, Klein CD.
A New Class of Dengue and West Nile Virus Protease Inhibitors with Submicromolar Activity in Reporter Gene DENV-2... Kühl N, Graf D, Bock J, Behnam MAM, Leuthold MM, Klein CD.: A New Class of Dengue and West Nile Virus Protease Inhibitors with Submicromolar Activity in Reporter Gene DENV-2 Protease and Viral Replication Assays. J Med Chem, Volume 63 (15), 2020 J Med Chem 2020 32605372
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Kühl N, Leuthold MM, Behnam MAM, Klein CD.
Kühl N, Leuthold MM, Behnam MAM, Klein CD.
Beyond Basicity: Discovery of Nonbasic DENV-2 Protease Inhibitors with Potent Activity in Cell Culture. Kühl N, Leuthold MM, Behnam MAM, Klein CD.: Beyond Basicity: Discovery of Nonbasic DENV-2 Protease Inhibitors with Potent Activity in Cell Culture. J Med Chem, Volume 64 (8), 2021 J Med Chem 2021 33851839
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Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM,...
Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.
Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016 Bioorg Med Chem Lett 2016 27658368
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Kühnle M, Egger M, Müller C, Mahringer A, Bernhardt G,...
Kühnle M, Egger M, Müller C, Mahringer A, Bernhardt G, Fricker G, König B, Buschauer A.
Potent and selective inhibitors of breast cancer resistance protein (ABCG2) derived from the p-glycoprotein (ABCB1)... Kühnle M, Egger M, Müller C, Mahringer A, Bernhardt G, Fricker G, König B, Buschauer A.: Potent and selective inhibitors of breast cancer resistance protein (ABCG2) derived from the p-glycoprotein (ABCB1) modulator tariquidar. J Med Chem, Volume 52 (4), 2009 J Med Chem 2009 19170519
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Kulagowski JJ, Blair W, Bull RJ, Chang C, Deshmukh G, Dyke...
Kulagowski JJ, Blair W, Bull RJ, Chang C, Deshmukh G, Dyke HJ, Eigenbrot C, Ghilardi N, Gibbons P, Harrison TK, Hewitt PR, Liimatta M, Hurley CA, Johnson A, Johnson T, Kenny JR, Bir Kohli P, Maxey RJ, Mendonca R, Mortara K, Murray J, Narukulla R, Shia S, Steffek M, Ubhayakar S, Ultsch M, van Abbema A, Ward SI, Waszkowycz B, Zak M.
Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors. Kulagowski JJ, Blair W, Bull RJ, Chang C, Deshmukh G, Dyke HJ, Eigenbrot C, Ghilardi N, Gibbons P, Harrison TK, Hewitt PR, Liimatta M, Hurley CA, Johnson A, Johnson T, Kenny JR, Bir Kohli P, Maxey RJ, Mendonca R, Mortara K, Murray J, Narukulla R, Shia S, Steffek M, Ubhayakar S, Ultsch M, van Abbema A, Ward SI, Waszkowycz B, Zak M.: Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors. J Med Chem, Volume 55 (12), 2012 J Med Chem 2012 22591402
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Kulén M, Núñez-Otero C, Cairns AG, Silver J, Lindgren...
Kulén M, Núñez-Otero C, Cairns AG, Silver J, Lindgren AEG, Wede E, Singh P, Vielfort K, Bahnan W, Good JAD, Svensson R, Bergström S, Gylfe Å, Almqvist F.
Methyl sulfonamide substituents improve the pharmacokinetic properties of bicyclic 2-pyridone based Chlamydia... Kulén M, Núñez-Otero C, Cairns AG, Silver J, Lindgren AEG, Wede E, Singh P, Vielfort K, Bahnan W, Good JAD, Svensson R, Bergström S, Gylfe Å, Almqvist F.: Methyl sulfonamide substituents improve the pharmacokinetic properties of bicyclic 2-pyridone based Chlamydia trachomatis inhibitors. Medchemcomm, Volume 10 (11), 2019 Medchemcomm 2019 32206238
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Kullak-Ublick GA, Fisch T, Oswald M, Hagenbuch B, Meier PJ,...
Kullak-Ublick GA, Fisch T, Oswald M, Hagenbuch B, Meier PJ, Beuers U, Paumgartner G.
Dehydroepiandrosterone sulfate (DHEAS): identification of a carrier protein in human liver and brain. Kullak-Ublick GA, Fisch T, Oswald M, Hagenbuch B, Meier PJ, Beuers U, Paumgartner G.: Dehydroepiandrosterone sulfate (DHEAS): identification of a carrier protein in human liver and brain. FEBS Lett, Volume 424 (3), 1998 FEBS Lett 1998 9539145
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Kullak-Ublick GA, Glasa J, Böker C, Oswald M, Grützner U,...
Kullak-Ublick GA, Glasa J, Böker C, Oswald M, Grützner U, Hagenbuch B, Stieger B, Meier PJ, Beuers U, Kramer W, Wess G, Paumgartner G.
Chlorambucil-taurocholate is transported by bile acid carriers expressed in human hepatocellular carcinomas. Kullak-Ublick GA, Glasa J, Böker C, Oswald M, Grützner U, Hagenbuch B, Stieger B, Meier PJ, Beuers U, Kramer W, Wess G, Paumgartner G.: Chlorambucil-taurocholate is transported by bile acid carriers expressed in human hepatocellular carcinomas. Gastroenterology, Volume 113 (4), 1997 Gastroenterology 1997 9322525
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Kullak-Ublick GA, Hagenbuch B, Stieger B, Schteingart CD,...
Kullak-Ublick GA, Hagenbuch B, Stieger B, Schteingart CD, Hofmann AF, Wolkoff AW, Meier PJ.
Molecular and functional characterization of an organic anion transporting polypeptide cloned from human liver. Kullak-Ublick GA, Hagenbuch B, Stieger B, Schteingart CD, Hofmann AF, Wolkoff AW, Meier PJ.: Molecular and functional characterization of an organic anion transporting polypeptide cloned from human liver. Gastroenterology, Volume 109 (4), 1995 Gastroenterology 1995 7557095
Total substances: 3
Total passive interactions: 0
Total active interactions: 5
Kullak-Ublick GA, Ismair MG, Stieger B, Landmann L, Huber...
Kullak-Ublick GA, Ismair MG, Stieger B, Landmann L, Huber R, Pizzagalli F, Fattinger K, Meier PJ, Hagenbuch B.
Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Kullak-Ublick GA, Ismair MG, Stieger B, Landmann L, Huber R, Pizzagalli F, Fattinger K, Meier PJ, Hagenbuch B.: Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Gastroenterology, Volume 120 (2), 2001 Gastroenterology 2001 11159893
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Kumar A, Ito A, Hirohama M, Yoshida M, Zhang KY.
Kumar A, Ito A, Hirohama M, Yoshida M, Zhang KY.
Identification of quinazolinyloxy biaryl urea as a new class of SUMO activating enzyme 1 inhibitors. Kumar A, Ito A, Hirohama M, Yoshida M, Zhang KY.: Identification of quinazolinyloxy biaryl urea as a new class of SUMO activating enzyme 1 inhibitors. Bioorg Med Chem Lett, Volume 23 (18), 2013 Bioorg Med Chem Lett 2013 23920437
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Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy...
Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.
Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018 Eur J Med Chem 2018 29524731
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Kumar S, Waldo JP, Jaipuri FA, Marcinowicz A, Van Allen C,...
Kumar S, Waldo JP, Jaipuri FA, Marcinowicz A, Van Allen C, Adams J, Kesharwani T, Zhang X, Metz R, Oh AJ, Harris SF, Mautino MR.
Discovery of Clinical Candidate... Kumar S, Waldo JP, Jaipuri FA, Marcinowicz A, Van Allen C, Adams J, Kesharwani T, Zhang X, Metz R, Oh AJ, Harris SF, Mautino MR.: Discovery of Clinical Candidate (1R,4r)-4-((R)-2-((S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1. J Med Chem, Volume 62 (14), 2019 J Med Chem 2019 31264862
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Kumari P, Kaur S, Kaur J, Bhatti R, Singh P.
Kumari P, Kaur S, Kaur J, Bhatti R, Singh P.
Modification of the lead molecule: Tryptophan and piperidine appended triazines reversing inflammation and... Kumari P, Kaur S, Kaur J, Bhatti R, Singh P.: Modification of the lead molecule: Tryptophan and piperidine appended triazines reversing inflammation and hyeperalgesia in rats. Bioorg Med Chem, Volume 28 (2), 2020 Bioorg Med Chem 2020 31843462
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Kundu B, Das SK, Paul Chowdhuri S, Pal S, Sarkar D, Ghosh...
Kundu B, Das SK, Paul Chowdhuri S, Pal S, Sarkar D, Ghosh A, Mukherjee A, Bhattacharya D, Das BB, Talukdar A.
Discovery and Mechanistic Study of Tailor-Made Quinoline Derivatives as Topoisomerase 1 Poison with Potent Anticancer... Kundu B, Das SK, Paul Chowdhuri S, Pal S, Sarkar D, Ghosh A, Mukherjee A, Bhattacharya D, Das BB, Talukdar A.: Discovery and Mechanistic Study of Tailor-Made Quinoline Derivatives as Topoisomerase 1 Poison with Potent Anticancer Activity. J Med Chem, Volume 62 (7), 2019 J Med Chem 2019 30897325
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Kundu B, Raychaudhuri D, Mukherjee A, Sinha BP, Sarkar D,...
Kundu B, Raychaudhuri D, Mukherjee A, Sinha BP, Sarkar D, Bandopadhyay P, Pal S, Das N, Dey D, Ramarao K, Nagireddy K, Ganguly D, Talukdar A.
Systematic Optimization of Potent and Orally Bioavailable Purine Scaffold as a Dual Inhibitor of Toll-Like Receptors 7... Kundu B, Raychaudhuri D, Mukherjee A, Sinha BP, Sarkar D, Bandopadhyay P, Pal S, Das N, Dey D, Ramarao K, Nagireddy K, Ganguly D, Talukdar A.: Systematic Optimization of Potent and Orally Bioavailable Purine Scaffold as a Dual Inhibitor of Toll-Like Receptors 7 and 9. J Med Chem, Volume 64 (13), 2021 J Med Chem 2021 34142551
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Kung HF, Newman S, Choi SR, Oya S, Hou C, Zhuang ZP, Acton...
Kung HF, Newman S, Choi SR, Oya S, Hou C, Zhuang ZP, Acton PD, Plössl K, Winkler J, Kung MP.
2-(2-(dimethylaminomethyl)phenoxy)-5-iodophenylamine: an improved serotonin transporter imaging agent. Kung HF, Newman S, Choi SR, Oya S, Hou C, Zhuang ZP, Acton PD, Plössl K, Winkler J, Kung MP.: 2-(2-(dimethylaminomethyl)phenoxy)-5-iodophenylamine: an improved serotonin transporter imaging agent. J Med Chem, Volume 47 (21), 2004 J Med Chem 2004 15456270
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Kung PP, Bingham P, Brooun A, Collins M, Deng YL, Dinh D,...
Kung PP, Bingham P, Brooun A, Collins M, Deng YL, Dinh D, Fan C, Gajiwala KS, Grantner R, Gukasyan HJ, Hu W, Huang B, Kania R, Kephart SE, Krivacic C, Kumpf RA, Khamphavong P, Kraus M, Liu W, Maegley KA, Nguyen L, Ren S, Richter D, Rollins RA, Sach N, Sharma S, Sherrill J, Spangler J, Stewart AE, Sutton S, Uryu S, Verhelle D, Wang H, Wang S, Wythes M, Xin S, Yamazaki S, Zhu H, Zhu J, Zehnder L, Edwards M.
Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based... Kung PP, Bingham P, Brooun A, Collins M, Deng YL, Dinh D, Fan C, Gajiwala KS, Grantner R, Gukasyan HJ, Hu W, Huang B, Kania R, Kephart SE, Krivacic C, Kumpf RA, Khamphavong P, Kraus M, Liu W, Maegley KA, Nguyen L, Ren S, Richter D, Rollins RA, Sach N, Sharma S, Sherrill J, Spangler J, Stewart AE, Sutton S, Uryu S, Verhelle D, Wang H, Wang S, Wythes M, Xin S, Yamazaki S, Zhu H, Zhu J, Zehnder L, Edwards M.: Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J Med Chem, Volume 61 (3), 2018 J Med Chem 2018 29211475
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Kung PP, Fan C, Gukasyan HJ, Huang B, Kephart S, Kraus M,...
Kung PP, Fan C, Gukasyan HJ, Huang B, Kephart S, Kraus M, Lee JH, Sutton SC, Yamazaki S, Zehnder L.
Design and Characterization of a Pyridone-Containing EZH2 Inhibitor Phosphate Prodrug. Kung PP, Fan C, Gukasyan HJ, Huang B, Kephart S, Kraus M, Lee JH, Sutton SC, Yamazaki S, Zehnder L.: Design and Characterization of a Pyridone-Containing EZH2 Inhibitor Phosphate Prodrug. J Med Chem, Volume 64 (3), 2021 J Med Chem 2021 33529029
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Kung PP, Rui E, Bergqvist S, Bingham P, Braganza J, Collins...
Kung PP, Rui E, Bergqvist S, Bingham P, Braganza J, Collins M, Cui M, Diehl W, Dinh D, Fan C, Fantin VR, Gukasyan HJ, Hu W, Huang B, Kephart S, Krivacic C, Kumpf RA, Li G, Maegley KA, McAlpine I, Nguyen L, Ninkovic S, Ornelas M, Ryskin M, Scales S, Sutton S, Tatlock J, Verhelle D, Wang F, Wells P, Wythes M, Yamazaki S, Yip B, Yu X, Zehnder L, Zhang WG, Rollins RA, Edwards M.
Design and Synthesis of Pyridone-Containing 3,4-Dihydroisoquinoline-1(2H)-ones as a Novel Class of Enhancer of Zeste... Kung PP, Rui E, Bergqvist S, Bingham P, Braganza J, Collins M, Cui M, Diehl W, Dinh D, Fan C, Fantin VR, Gukasyan HJ, Hu W, Huang B, Kephart S, Krivacic C, Kumpf RA, Li G, Maegley KA, McAlpine I, Nguyen L, Ninkovic S, Ornelas M, Ryskin M, Scales S, Sutton S, Tatlock J, Verhelle D, Wang F, Wells P, Wythes M, Yamazaki S, Yip B, Yu X, Zehnder L, Zhang WG, Rollins RA, Edwards M.: Design and Synthesis of Pyridone-Containing 3,4-Dihydroisoquinoline-1(2H)-ones as a Novel Class of Enhancer of Zeste Homolog 2 (EZH2) Inhibitors. J Med Chem, Volume 59 (18), 2016 J Med Chem 2016 27512831
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Kunze A, Huwyler J, Camenisch G, Gutmann H.
Kunze A, Huwyler J, Camenisch G, Gutmann H.
Interaction of the antiviral drug telaprevir with renal and hepatic drug transporters. Kunze A, Huwyler J, Camenisch G, Gutmann H.: Interaction of the antiviral drug telaprevir with renal and hepatic drug transporters. Biochem Pharmacol, Volume 84 (8), 2012 Biochem Pharmacol 2012 22902721
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Kuo F, Gillespie TA, Kulanthaivel P, Lantz RJ, Ma TW,...
Kuo F, Gillespie TA, Kulanthaivel P, Lantz RJ, Ma TW, Nelson DL, Threlkeld PG, Wheeler WJ, Yi P, Zmijewski M.
Synthesis and biological activity of some known and putative duloxetine metabolites. Kuo F, Gillespie TA, Kulanthaivel P, Lantz RJ, Ma TW, Nelson DL, Threlkeld PG, Wheeler WJ, Yi P, Zmijewski M.: Synthesis and biological activity of some known and putative duloxetine metabolites. Bioorg Med Chem Lett, Volume 14 (13), 2004 Bioorg Med Chem Lett 2004 15177457
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Kuroda S, Kobashi Y, Oi T, Amada H, Okumura-Kitajima L, Io...
Kuroda S, Kobashi Y, Oi T, Amada H, Okumura-Kitajima L, Io F, Yamamto K, Kakinuma H.
Discovery of a potent, low-absorbable sodium-dependent glucose cotransporter 1 (SGLT1) inhibitor (TP0438836) for the... Kuroda S, Kobashi Y, Oi T, Amada H, Okumura-Kitajima L, Io F, Yamamto K, Kakinuma H.: Discovery of a potent, low-absorbable sodium-dependent glucose cotransporter 1 (SGLT1) inhibitor (TP0438836) for the treatment of type 2 diabetes. Bioorg Med Chem Lett, Volume 28 (22), 2018 Bioorg Med Chem Lett 2018 30297284
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Kuroda S, Kobashi Y, Oi T, Kawabe K, Shiozawa F,...
Kuroda S, Kobashi Y, Oi T, Kawabe K, Shiozawa F, Okumura-Kitajima L, Sugisaki-Kitano M, Io F, Yamamoto K, Kakinuma H.
Discovery of potent, low-absorbable sodium-dependent glucose cotransporter 1 (SGLT1) inhibitor SGL5213 for type 2... Kuroda S, Kobashi Y, Oi T, Kawabe K, Shiozawa F, Okumura-Kitajima L, Sugisaki-Kitano M, Io F, Yamamoto K, Kakinuma H.: Discovery of potent, low-absorbable sodium-dependent glucose cotransporter 1 (SGLT1) inhibitor SGL5213 for type 2 diabetes treatment. Bioorg Med Chem, Volume 27 (2), 2019 Bioorg Med Chem 2019 30579799
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Kusakabe K, Ide N, Daigo Y, Tachibana Y, Itoh T, Yamamoto...
Kusakabe K, Ide N, Daigo Y, Tachibana Y, Itoh T, Yamamoto T, Hashizume H, Hato Y, Higashino K, Okano Y, Sato Y, Inoue M, Iguchi M, Kanazawa T, Ishioka Y, Dohi K, Kido Y, Sakamoto S, Yasuo K, Maeda M, Higaki M, Ueda K, Yoshizawa H, Baba Y, Shiota T, Murai H, Nakamura Y.
Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor... Kusakabe K, Ide N, Daigo Y, Tachibana Y, Itoh T, Yamamoto T, Hashizume H, Hato Y, Higashino K, Okano Y, Sato Y, Inoue M, Iguchi M, Kanazawa T, Ishioka Y, Dohi K, Kido Y, Sakamoto S, Yasuo K, Maeda M, Higaki M, Ueda K, Yoshizawa H, Baba Y, Shiota T, Murai H, Nakamura Y.: Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125). J Med Chem, Volume 56 (11), 2013 J Med Chem 2013 23634759
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Kusumi K, Shinozaki K, Kanaji T, Kurata H, Naganawa A,...
Kusumi K, Shinozaki K, Kanaji T, Kurata H, Naganawa A, Otsuki K, Matsushita T, Sekiguchi T, Kakuuchi A, Seko T.
Discovery of novel S1P2 antagonists. Part 1: discovery of 1,3-bis(aryloxy)benzene derivatives. Kusumi K, Shinozaki K, Kanaji T, Kurata H, Naganawa A, Otsuki K, Matsushita T, Sekiguchi T, Kakuuchi A, Seko T.: Discovery of novel S1P2 antagonists. Part 1: discovery of 1,3-bis(aryloxy)benzene derivatives. Bioorg Med Chem Lett, Volume 25 (7), 2015 Bioorg Med Chem Lett 2015 25746814
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Kusumi K, Shinozaki K, Yamaura Y, Hashimoto A, Kurata H,...
Kusumi K, Shinozaki K, Yamaura Y, Hashimoto A, Kurata H, Naganawa A, Ueda H, Otsuki K, Matsushita T, Sekiguchi T, Kakuuchi A, Seko T.
Discovery of novel S1P2 antagonists. Part 2: Improving the profile of a series of 1,3-bis(aryloxy)benzene derivatives. Kusumi K, Shinozaki K, Yamaura Y, Hashimoto A, Kurata H, Naganawa A, Ueda H, Otsuki K, Matsushita T, Sekiguchi T, Kakuuchi A, Seko T.: Discovery of novel S1P2 antagonists. Part 2: Improving the profile of a series of 1,3-bis(aryloxy)benzene derivatives. Bioorg Med Chem Lett, Volume 25 (20), 2015 Bioorg Med Chem Lett 2015 26384288
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Kúsz N, Orvos P, Bereczki L, Fertey P, Bombicz P, Csorba...
Kúsz N, Orvos P, Bereczki L, Fertey P, Bombicz P, Csorba A, Tálosi L, Jakab G, Hohmann J, Rédei D.
Diterpenoids from Euphorbia dulcis with Potassium Ion Channel Inhibitory Activity with Selective G Protein-Activated... Kúsz N, Orvos P, Bereczki L, Fertey P, Bombicz P, Csorba A, Tálosi L, Jakab G, Hohmann J, Rédei D.: Diterpenoids from Euphorbia dulcis with Potassium Ion Channel Inhibitory Activity with Selective G Protein-Activated Inwardly Rectifying Ion Channel (GIRK) Blocking Effect. J Nat Prod, Volume 81 (11), 2018 J Nat Prod 2018 30411614
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Total active interactions: 2
Kuttruff CA, Ferrara M, Bretschneider T, Hoerer S,...
Kuttruff CA, Ferrara M, Bretschneider T, Hoerer S, Handschuh S, Nosse B, Romig H, Nicklin P, Roth GJ.
Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. Kuttruff CA, Ferrara M, Bretschneider T, Hoerer S, Handschuh S, Nosse B, Romig H, Nicklin P, Roth GJ.: Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. ACS Med Chem Lett, Volume 8 (12), 2017 ACS Med Chem Lett 2017 29259743
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Kwak SH, Shin S, Lee JH, Shim JK, Kim M, Lee SD, Lee A, Bae...
Kwak SH, Shin S, Lee JH, Shim JK, Kim M, Lee SD, Lee A, Bae J, Park JH, Abdelrahman A, Müller CE, Cho SK, Kang SG, Bae MA, Yang JY, Ko H, Goddard WA, Kim YC.
Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their... Kwak SH, Shin S, Lee JH, Shim JK, Kim M, Lee SD, Lee A, Bae J, Park JH, Abdelrahman A, Müller CE, Cho SK, Kang SG, Bae MA, Yang JY, Ko H, Goddard WA, Kim YC.: Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their anti-sphere formation activities in glioblastoma cells. Eur J Med Chem, Volume 151, 2018 Eur J Med Chem 2018 29649742
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Kwiatkowski J, Baburajendran N, Poulsen A, Liu B, Tee DHY,...
Kwiatkowski J, Baburajendran N, Poulsen A, Liu B, Tee DHY, Wong YX, Poh ZY, Ong EH, Dinie N, Cherian J, Jansson AE, Hill J, Keller TH, Hung AW.
Fragment-based Discovery of a Small-Molecule Protein Kinase C-iota Inhibitor Binding Post-kinase Domain Residues. Kwiatkowski J, Baburajendran N, Poulsen A, Liu B, Tee DHY, Wong YX, Poh ZY, Ong EH, Dinie N, Cherian J, Jansson AE, Hill J, Keller TH, Hung AW.: Fragment-based Discovery of a Small-Molecule Protein Kinase C-iota Inhibitor Binding Post-kinase Domain Residues. ACS Med Chem Lett, Volume 10 (3), 2019 ACS Med Chem Lett 2019 30891133
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Kwiatkowski J, Liu B, Pang S, Ahmad NHB, Wang G, Poulsen A,...
Kwiatkowski J, Liu B, Pang S, Ahmad NHB, Wang G, Poulsen A, Yang H, Poh YR, Tee DHY, Ong E, Retna P, Dinie N, Kwek P, Wee JLK, Manoharan V, Low CB, Seah PG, Pendharkar V, Sangthongpitag K, Joy J, Baburajendran N, Jansson AE, Nacro K, Hill J, Keller TH, Hung AW.
Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2. Kwiatkowski J, Liu B, Pang S, Ahmad NHB, Wang G, Poulsen A, Yang H, Poh YR, Tee DHY, Ong E, Retna P, Dinie N, Kwek P, Wee JLK, Manoharan V, Low CB, Seah PG, Pendharkar V, Sangthongpitag K, Joy J, Baburajendran N, Jansson AE, Nacro K, Hill J, Keller TH, Hung AW.: Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2. J Med Chem, Volume 63 (2), 2020 J Med Chem 2020 31910010
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Kwiatkowski J, Liu B, Tee DHY, Chen G, Ahmad NHB, Wong YX,...
Kwiatkowski J, Liu B, Tee DHY, Chen G, Ahmad NHB, Wong YX, Poh ZY, Ang SH, Tan ESW, Ong EH, Nurul Dinie, Poulsen A, Pendharkar V, Sangthongpitag K, Lee MA, Sepramaniam S, Ho SY, Cherian J, Hill J, Keller TH, Hung AW.
Fragment-Based Drug Discovery of Potent Protein Kinase C Iota Inhibitors. Kwiatkowski J, Liu B, Tee DHY, Chen G, Ahmad NHB, Wong YX, Poh ZY, Ang SH, Tan ESW, Ong EH, Nurul Dinie, Poulsen A, Pendharkar V, Sangthongpitag K, Lee MA, Sepramaniam S, Ho SY, Cherian J, Hill J, Keller TH, Hung AW.: Fragment-Based Drug Discovery of Potent Protein Kinase C Iota Inhibitors. J Med Chem, Volume 61 (10), 2018 J Med Chem 2018 29688013
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Kwon OS, Kim CK, Byun WS, Oh J, Lee YJ, Lee HS, Sim CJ, Oh...
Kwon OS, Kim CK, Byun WS, Oh J, Lee YJ, Lee HS, Sim CJ, Oh DC, Lee SK, Oh KB, Shin J.
Cyclopeptides from the Sponge Stylissa flabelliformis. Kwon OS, Kim CK, Byun WS, Oh J, Lee YJ, Lee HS, Sim CJ, Oh DC, Lee SK, Oh KB, Shin J.: Cyclopeptides from the Sponge Stylissa flabelliformis. J Nat Prod, Volume 81 (6), 2018 J Nat Prod 2018 29893558
Total substances: 3
Total passive interactions: 0
Total active interactions: 21
La Regina G, Bai R, Coluccia A, Famiglini V, Pelliccia S,...
La Regina G, Bai R, Coluccia A, Famiglini V, Pelliccia S, Passacantilli S, Mazzoccoli C, Ruggieri V, Sisinni L, Bolognesi A, Rensen WM, Miele A, Nalli M, Alfonsi R, Di Marcotullio L, Gulino A, Brancale A, Novellino E, Dondio G, Vultaggio S, Varasi M, Mercurio C, Hamel E, Lavia P, Silvestri R.
New pyrrole derivatives with potent tubulin polymerization inhibiting activity as anticancer agents including... La Regina G, Bai R, Coluccia A, Famiglini V, Pelliccia S, Passacantilli S, Mazzoccoli C, Ruggieri V, Sisinni L, Bolognesi A, Rensen WM, Miele A, Nalli M, Alfonsi R, Di Marcotullio L, Gulino A, Brancale A, Novellino E, Dondio G, Vultaggio S, Varasi M, Mercurio C, Hamel E, Lavia P, Silvestri R.: New pyrrole derivatives with potent tubulin polymerization inhibiting activity as anticancer agents including hedgehog-dependent cancer. J Med Chem, Volume 57 (15), 2014 J Med Chem 2014 25025991
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La Regina G, Bai R, Rensen WM, Di Cesare E, Coluccia A,...
La Regina G, Bai R, Rensen WM, Di Cesare E, Coluccia A, Piscitelli F, Famiglini V, Reggio A, Nalli M, Pelliccia S, Da Pozzo E, Costa B, Granata I, Porta A, Maresca B, Soriani A, Iannitto ML, Santoni A, Li J, Miranda Cona M, Chen F, Ni Y, Brancale A, Dondio G, Vultaggio S, Varasi M, Mercurio C, Martini C, Hamel E, Lavia P, Novellino E, Silvestri R.
Toward highly potent cancer agents by modulating the C-2 group of the arylthioindole class of tubulin polymerization... La Regina G, Bai R, Rensen WM, Di Cesare E, Coluccia A, Piscitelli F, Famiglini V, Reggio A, Nalli M, Pelliccia S, Da Pozzo E, Costa B, Granata I, Porta A, Maresca B, Soriani A, Iannitto ML, Santoni A, Li J, Miranda Cona M, Chen F, Ni Y, Brancale A, Dondio G, Vultaggio S, Varasi M, Mercurio C, Martini C, Hamel E, Lavia P, Novellino E, Silvestri R.: Toward highly potent cancer agents by modulating the C-2 group of the arylthioindole class of tubulin polymerization inhibitors. J Med Chem, Volume 56 (1), 2013 J Med Chem 2013 23214452
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La Rosa S, Benicchi T, Bettinetti L, Ceccarelli I, Diodato...
La Rosa S, Benicchi T, Bettinetti L, Ceccarelli I, Diodato E, Federico C, Fiengo P, Franceschini D, Gokce O, Heitz F, Lazzeroni G, Luthi-Carter R, Magnoni L, Miragliotta V, Scali C, Valacchi M.
Fused 3-Hydroxy-3-trifluoromethylpyrazoles Inhibit Mutant Huntingtin Toxicity. La Rosa S, Benicchi T, Bettinetti L, Ceccarelli I, Diodato E, Federico C, Fiengo P, Franceschini D, Gokce O, Heitz F, Lazzeroni G, Luthi-Carter R, Magnoni L, Miragliotta V, Scali C, Valacchi M.: Fused 3-Hydroxy-3-trifluoromethylpyrazoles Inhibit Mutant Huntingtin Toxicity. ACS Med Chem Lett, Volume 4 (10), 2013 ACS Med Chem Lett 2013 24900595
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Labadie S, Barrett K, Blair WS, Chang C, Deshmukh G,...
Labadie S, Barrett K, Blair WS, Chang C, Deshmukh G, Eigenbrot C, Gibbons P, Johnson A, Kenny JR, Kohli PB, Liimatta M, Lupardus PJ, Shia S, Steffek M, Ubhayakar S, van Abbema A, Zak M.
Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors. Labadie S, Barrett K, Blair WS, Chang C, Deshmukh G, Eigenbrot C, Gibbons P, Johnson A, Kenny JR, Kohli PB, Liimatta M, Lupardus PJ, Shia S, Steffek M, Ubhayakar S, van Abbema A, Zak M.: Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors. Bioorg Med Chem Lett, Volume 23 (21), 2013 Bioorg Med Chem Lett 2013 24042009
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Labadie S, Dragovich PS, Barrett K, Blair WS, Bergeron P,...
Labadie S, Dragovich PS, Barrett K, Blair WS, Bergeron P, Chang C, Deshmukh G, Eigenbrot C, Ghilardi N, Gibbons P, Hurley CA, Johnson A, Kenny JR, Kohli PB, Kulagowski JJ, Liimatta M, Lupardus PJ, Mendonca R, Murray JM, Pulk R, Shia S, Steffek M, Ubhayakar S, Ultsch M, van Abbema A, Ward S, Zak M.
Structure-based discovery of C-2 substituted imidazo-pyrrolopyridine JAK1 inhibitors with improved selectivity over... Labadie S, Dragovich PS, Barrett K, Blair WS, Bergeron P, Chang C, Deshmukh G, Eigenbrot C, Ghilardi N, Gibbons P, Hurley CA, Johnson A, Kenny JR, Kohli PB, Kulagowski JJ, Liimatta M, Lupardus PJ, Mendonca R, Murray JM, Pulk R, Shia S, Steffek M, Ubhayakar S, Ultsch M, van Abbema A, Ward S, Zak M.: Structure-based discovery of C-2 substituted imidazo-pyrrolopyridine JAK1 inhibitors with improved selectivity over JAK2. Bioorg Med Chem Lett, Volume 22 (24), 2012 Bioorg Med Chem Lett 2012 23107482
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Labadie S, Dragovich PS, Chen J, Fauber BP, Boggs J, Corson...
Labadie S, Dragovich PS, Chen J, Fauber BP, Boggs J, Corson LB, Ding CZ, Eigenbrot C, Ge H, Ho Q, Lai KW, Ma S, Malek S, Peterson D, Purkey HE, Robarge K, Salphati L, Sideris S, Ultsch M, VanderPorten E, Wei B, Xu Q, Yen I, Yue Q, Zhang H, Zhang X, Zhou A.
Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate... Labadie S, Dragovich PS, Chen J, Fauber BP, Boggs J, Corson LB, Ding CZ, Eigenbrot C, Ge H, Ho Q, Lai KW, Ma S, Malek S, Peterson D, Purkey HE, Robarge K, Salphati L, Sideris S, Ultsch M, VanderPorten E, Wei B, Xu Q, Yen I, Yue Q, Zhang H, Zhang X, Zhou A.: Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg Med Chem Lett, Volume 25 (1), 2015 Bioorg Med Chem Lett 2015 25466195
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Labadie SS, Dragovich PS, Cummings RT, Deshmukh G,...
Labadie SS, Dragovich PS, Cummings RT, Deshmukh G, Gustafson A, Han N, Harmange JC, Kiefer JR, Li Y, Liang J, Liederer BM, Liu Y, Manieri W, Mao W, Murray L, Ortwine DF, Trojer P, VanderPorten E, Vinogradova M, Wen L.
Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors. Labadie SS, Dragovich PS, Cummings RT, Deshmukh G, Gustafson A, Han N, Harmange JC, Kiefer JR, Li Y, Liang J, Liederer BM, Liu Y, Manieri W, Mao W, Murray L, Ortwine DF, Trojer P, VanderPorten E, Vinogradova M, Wen L.: Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors. Bioorg Med Chem Lett, Volume 26 (18), 2016 Bioorg Med Chem Lett 2016 27499454
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Labadie SS, Li J, Blake RA, Chang JH, Goodacre S, Hartman...
Labadie SS, Li J, Blake RA, Chang JH, Goodacre S, Hartman SJ, Liang W, Kiefer JR, Kleinheinz T, Lai T, Liao J, Ortwine DF, Mody V, Ray NC, Roussel F, Vinogradova M, Yeap SK, Zhang B, Zheng X, Zbieg JR, Liang J, Wang X.
Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over... Labadie SS, Li J, Blake RA, Chang JH, Goodacre S, Hartman SJ, Liang W, Kiefer JR, Kleinheinz T, Lai T, Liao J, Ortwine DF, Mody V, Ray NC, Roussel F, Vinogradova M, Yeap SK, Zhang B, Zheng X, Zbieg JR, Liang J, Wang X.: Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927. Bioorg Med Chem Lett, Volume 29 (16), 2019 Bioorg Med Chem Lett 2019 31311734
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Labéguère F, Dupont S, Alvey L, Soulas F, Newsome G,...
Labéguère F, Dupont S, Alvey L, Soulas F, Newsome G, Tirera A, Quenehen V, Mai TTT, Deprez P, Blanqué R, Oste L, Le Tallec S, De Vos S, Hagers A, Vandevelde A, Nelles L, Vandervoort N, Conrath K, Christophe T, van der Aar E, Wakselman E, Merciris D, Cottereaux C, da Costa C, Saniere L, Clement-Lacroix P, Jenkins L, Milligan G, Fletcher S, Brys R, Gosmini R.
Discovery of... Labéguère F, Dupont S, Alvey L, Soulas F, Newsome G, Tirera A, Quenehen V, Mai TTT, Deprez P, Blanqué R, Oste L, Le Tallec S, De Vos S, Hagers A, Vandevelde A, Nelles L, Vandervoort N, Conrath K, Christophe T, van der Aar E, Wakselman E, Merciris D, Cottereaux C, da Costa C, Saniere L, Clement-Lacroix P, Jenkins L, Milligan G, Fletcher S, Brys R, Gosmini R.: Discovery of 9-Cyclopropylethynyl-2-((S)-1-[1,4]dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (GLPG1205), a Unique GPR84 Negative Allosteric Modulator Undergoing Evaluation in a Phase II Clinical Trial. J Med Chem, Volume 63 (22), 2020 J Med Chem 2020 32902984
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Ladziata VU, Glunz PW, Zou Y, Zhang X, Jiang W,...
Ladziata VU, Glunz PW, Zou Y, Zhang X, Jiang W, Jacutin-Porte S, Cheney DL, Wei A, Luettgen JM, Harper TM, Wong PC, Seiffert D, Wexler RR, Priestley ES.
Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Ladziata VU, Glunz PW, Zou Y, Zhang X, Jiang W, Jacutin-Porte S, Cheney DL, Wei A, Luettgen JM, Harper TM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016 Bioorg Med Chem Lett 2016 27612545
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Lafleur K, Dong J, Huang D, Caflisch A, Nevado C.
Lafleur K, Dong J, Huang D, Caflisch A, Nevado C.
Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by... Lafleur K, Dong J, Huang D, Caflisch A, Nevado C.: Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography. J Med Chem, Volume 56 (1), 2013 J Med Chem 2013 23253074
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Lagu B, Kluge AF, Tozzo E, Fredenburg R, Bell EL, Goddeeris...
Lagu B, Kluge AF, Tozzo E, Fredenburg R, Bell EL, Goddeeris MM, Dwyer P, Basinski A, Senaiar RS, Jaleel M, Tiwari NK, Panigrahi SK, Krishnamurthy NR, Takahashi T, Patane MA.
Selective PPARδ Modulators Improve Mitochondrial Function: Potential Treatment for Duchenne Muscular Dystrophy (DMD). Lagu B, Kluge AF, Tozzo E, Fredenburg R, Bell EL, Goddeeris MM, Dwyer P, Basinski A, Senaiar RS, Jaleel M, Tiwari NK, Panigrahi SK, Krishnamurthy NR, Takahashi T, Patane MA.: Selective PPARδ Modulators Improve Mitochondrial Function: Potential Treatment for Duchenne Muscular Dystrophy (DMD). ACS Med Chem Lett, Volume 9 (9), 2018 ACS Med Chem Lett 2018 30258544
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Lahue BR, Ma Y, Shipps GW, Seghezzi W, Herbst R.
Lahue BR, Ma Y, Shipps GW, Seghezzi W, Herbst R.
Substituted benzimidazoles: A novel chemotype for small molecule hKSP inhibitors. Lahue BR, Ma Y, Shipps GW, Seghezzi W, Herbst R.: Substituted benzimidazoles: A novel chemotype for small molecule hKSP inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009 Bioorg Med Chem Lett 2009 19481450
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Lai KW, Romero FA, Tsui V, Beresini MH, de Leon Boenig G,...
Lai KW, Romero FA, Tsui V, Beresini MH, de Leon Boenig G, Bronner SM, Chen K, Chen Z, Choo EF, Crawford TD, Cyr P, Kaufman S, Li Y, Liao J, Liu W, Ly J, Murray J, Shen W, Wai J, Wang F, Zhu C, Zhu X, Magnuson S.
Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300. Lai KW, Romero FA, Tsui V, Beresini MH, de Leon Boenig G, Bronner SM, Chen K, Chen Z, Choo EF, Crawford TD, Cyr P, Kaufman S, Li Y, Liao J, Liu W, Ly J, Murray J, Shen W, Wai J, Wang F, Zhu C, Zhu X, Magnuson S.: Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300. Bioorg Med Chem Lett, Volume 28 (1), 2018 Bioorg Med Chem Lett 2018 29169673
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Lai Y, Xing L, Poda GI, Hu Y.
Lai Y, Xing L, Poda GI, Hu Y.
Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion... Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007 Drug Metab Dispos 2007 17371800
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Lainchbury M, Matthews TP, McHardy T, Boxall KJ, Walton MI,...
Lainchbury M, Matthews TP, McHardy T, Boxall KJ, Walton MI, Eve PD, Hayes A, Valenti MR, de Haven Brandon AK, Box G, Aherne GW, Reader JC, Raynaud FI, Eccles SA, Garrett MD, Collins I.
Discovery of 3-alkoxyamino-5-(pyridin-2-ylamino)pyrazine-2-carbonitriles as selective, orally bioavailable CHK1... Lainchbury M, Matthews TP, McHardy T, Boxall KJ, Walton MI, Eve PD, Hayes A, Valenti MR, de Haven Brandon AK, Box G, Aherne GW, Reader JC, Raynaud FI, Eccles SA, Garrett MD, Collins I.: Discovery of 3-alkoxyamino-5-(pyridin-2-ylamino)pyrazine-2-carbonitriles as selective, orally bioavailable CHK1 inhibitors. J Med Chem, Volume 55 (22), 2012 J Med Chem 2012 23082860
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Lakowicz J.R., Kcherek H., Laczko G., Gratton E.
Lakowicz J.R., Kcherek H., Laczko G., Gratton E.
Time-resolved fluorecence emission spectra of labeled phospholipid vesicles, as observed using multi-frequency... Lakowicz J.R., Kcherek H., Laczko G., Gratton E.: Time-resolved fluorecence emission spectra of labeled phospholipid vesicles, as observed using multi-frequency phase-modulation fluorometry. Biochim. Biophys. Acta , 777, 183-193 , 1984. Biochim. Biophys. Acta 1984 10.1016/0005-27...
Total substances: 1
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Total active interactions: 0
Laleu B, Akao Y, Ochida A, Duffy S, Lucantoni L,...
Laleu B, Akao Y, Ochida A, Duffy S, Lucantoni L, Shackleford DM, Chen G, Katneni K, Chiu FCK, White KL, Chen X, Sturm A, Dechering KJ, Crespo B, Sanz LM, Wang B, Wittlin S, Charman SA, Avery VM, Cho N, Kamaura M.
Discovery and Structure-Activity Relationships of Quinazolinone-2-carboxamide Derivatives as Novel Orally Efficacious... Laleu B, Akao Y, Ochida A, Duffy S, Lucantoni L, Shackleford DM, Chen G, Katneni K, Chiu FCK, White KL, Chen X, Sturm A, Dechering KJ, Crespo B, Sanz LM, Wang B, Wittlin S, Charman SA, Avery VM, Cho N, Kamaura M.: Discovery and Structure-Activity Relationships of Quinazolinone-2-carboxamide Derivatives as Novel Orally Efficacious Antimalarials. J Med Chem, Volume 64 (17), 2021 J Med Chem 2021 34437804
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Laleu B, Gaggini F, Orchard M, Fioraso-Cartier L, Cagnon L,...
Laleu B, Gaggini F, Orchard M, Fioraso-Cartier L, Cagnon L, Houngninou-Molango S, Gradia A, Duboux G, Merlot C, Heitz F, Szyndralewiez C, Page P.
First in class, potent, and orally bioavailable NADPH oxidase isoform 4 (Nox4) inhibitors for the treatment of... Laleu B, Gaggini F, Orchard M, Fioraso-Cartier L, Cagnon L, Houngninou-Molango S, Gradia A, Duboux G, Merlot C, Heitz F, Szyndralewiez C, Page P.: First in class, potent, and orally bioavailable NADPH oxidase isoform 4 (Nox4) inhibitors for the treatment of idiopathic pulmonary fibrosis. J Med Chem, Volume 53 (21), 2010 J Med Chem 2010 20942471
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Laliberté S, Vallée F, Fournier PA, Bedard L, Labrecque...
Laliberté S, Vallée F, Fournier PA, Bedard L, Labrecque J, Albert JS.
Discovery of a series of aryl-N-(3-(alkylamino)-5-(trifluoromethyl)phenyl)benzamides as TRPA1 antagonists. Laliberté S, Vallée F, Fournier PA, Bedard L, Labrecque J, Albert JS.: Discovery of a series of aryl-N-(3-(alkylamino)-5-(trifluoromethyl)phenyl)benzamides as TRPA1 antagonists. Bioorg Med Chem Lett, Volume 24 (14), 2014 Bioorg Med Chem Lett 2014 24880903
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Lampa A, Alogheli H, Ehrenberg AE, Åkerblom E, Svensson R,...
Lampa A, Alogheli H, Ehrenberg AE, Åkerblom E, Svensson R, Artursson P, Danielson UH, Karlén A, Sandström A.
Vinylated linear P2 pyrimidinyloxyphenylglycine based inhibitors of the HCV NS3/4A protease and corresponding... Lampa A, Alogheli H, Ehrenberg AE, Åkerblom E, Svensson R, Artursson P, Danielson UH, Karlén A, Sandström A.: Vinylated linear P2 pyrimidinyloxyphenylglycine based inhibitors of the HCV NS3/4A protease and corresponding macrocycles. Bioorg Med Chem, Volume 22 (23), 2014 Bioorg Med Chem 2014 25456385
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Lampa AK, Bergman SM, Gustafsson SS, Alogheli H, Akerblom...
Lampa AK, Bergman SM, Gustafsson SS, Alogheli H, Akerblom EB, Lindeberg GG, Svensson RM, Artursson P, Danielson UH, Karlén A, Sandström A.
Novel Peptidomimetic Hepatitis C Virus NS3/4A Protease Inhibitors Spanning the P2-P1' Region. Lampa AK, Bergman SM, Gustafsson SS, Alogheli H, Akerblom EB, Lindeberg GG, Svensson RM, Artursson P, Danielson UH, Karlén A, Sandström A.: Novel Peptidomimetic Hepatitis C Virus NS3/4A Protease Inhibitors Spanning the P2-P1' Region. ACS Med Chem Lett, Volume 5 (3), 2014 ACS Med Chem Lett 2014 24900813
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Lampe JW, Alford JS, Boriak-Sjodin PA, Brach D, Cosmopoulos...
Lampe JW, Alford JS, Boriak-Sjodin PA, Brach D, Cosmopoulos K, Duncan KW, Eckley ST, Foley MA, Harvey DM, Motwani V, Munchhof MJ, Raimondi A, Riera TV, Tang C, Thomenius MJ, Totman J, Farrow NA.
Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies. Lampe JW, Alford JS, Boriak-Sjodin PA, Brach D, Cosmopoulos K, Duncan KW, Eckley ST, Foley MA, Harvey DM, Motwani V, Munchhof MJ, Raimondi A, Riera TV, Tang C, Thomenius MJ, Totman J, Farrow NA.: Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies. ACS Med Chem Lett, Volume 12 (10), 2021 ACS Med Chem Lett 2021 34671445
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Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS,...
Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.
Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for... Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017 Eur J Med Chem 2017 28797883
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Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.
Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.
Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of... Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014 Bioorg Med Chem 2014 25282654
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Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY,...
Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.
Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent... Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017 Eur J Med Chem 2017 28388521
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Lan T, Rao A, Haywood J, Davis CB, Han C, Garver E, Dawson...
Lan T, Rao A, Haywood J, Davis CB, Han C, Garver E, Dawson PA.
Interaction of macrolide antibiotics with intestinally expressed human and rat organic anion-transporting polypeptides. Lan T, Rao A, Haywood J, Davis CB, Han C, Garver E, Dawson PA.: Interaction of macrolide antibiotics with intestinally expressed human and rat organic anion-transporting polypeptides. Drug Metab Dispos, Volume 37 (12), 2009 Drug Metab Dispos 2009 19741038
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Lande MB, Donovan JM, Zeidel ML.
Lande MB, Donovan JM, Zeidel ML.
The relationship between membrane fluidity and permeabilities to water, solutes, ammonia, and protons. Lande MB, Donovan JM, Zeidel ML.: The relationship between membrane fluidity and permeabilities to water, solutes, ammonia, and protons. J Gen Physiol, Volume 106 (1), 67-84, 1995 J Gen Physiol 1995 7494139
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Lange JH, Venhorst J, van Dongen MJ, Frankena J, Bassissi...
Lange JH, Venhorst J, van Dongen MJ, Frankena J, Bassissi F, de Bruin NM, den Besten C, de Beer SB, Oostenbrink C, Markova N, Kruse CG.
Biophysical and physicochemical methods differentiate highly ligand-efficient human D-amino acid oxidase inhibitors. Lange JH, Venhorst J, van Dongen MJ, Frankena J, Bassissi F, de Bruin NM, den Besten C, de Beer SB, Oostenbrink C, Markova N, Kruse CG.: Biophysical and physicochemical methods differentiate highly ligand-efficient human D-amino acid oxidase inhibitors. Eur J Med Chem, Volume 46 (10), 2011 Eur J Med Chem 2011 21880399
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Langston SP, Grossman S, England D, Afroze R, Bence N,...
Langston SP, Grossman S, England D, Afroze R, Bence N, Bowman D, Bump N, Chau R, Chuang BC, Claiborne C, Cohen L, Connolly K, Duffey M, Durvasula N, Freeze S, Gallery M, Galvin K, Gaulin J, Gershman R, Greenspan P, Grieves J, Guo J, Gulavita N, Hailu S, He X, Hoar K, Hu Y, Hu Z, Ito M, Kim MS, Lane SW, Lok D, Lublinsky A, Mallender W, McIntyre C, Minissale J, Mizutani H, Mizutani M, Molchinova N, Ono K, Patil A, Qian M, Riceberg J, Shindi V, Sintchak MD, Song K, Soucy T, Wang Y, Xu H, Yang X, Zawadzka A, Zhang J, Pulukuri SM.
Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. Langston SP, Grossman S, England D, Afroze R, Bence N, Bowman D, Bump N, Chau R, Chuang BC, Claiborne C, Cohen L, Connolly K, Duffey M, Durvasula N, Freeze S, Gallery M, Galvin K, Gaulin J, Gershman R, Greenspan P, Grieves J, Guo J, Gulavita N, Hailu S, He X, Hoar K, Hu Y, Hu Z, Ito M, Kim MS, Lane SW, Lok D, Lublinsky A, Mallender W, McIntyre C, Minissale J, Mizutani H, Mizutani M, Molchinova N, Ono K, Patil A, Qian M, Riceberg J, Shindi V, Sintchak MD, Song K, Soucy T, Wang Y, Xu H, Yang X, Zawadzka A, Zhang J, Pulukuri SM.: Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J Med Chem, Volume 64 (5), 2021 J Med Chem 2021 33631934
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Lanier MC, Moorjani M, Luo Z, Chen Y, Lin E, Tellew JE,...
Lanier MC, Moorjani M, Luo Z, Chen Y, Lin E, Tellew JE, Zhang X, Williams JP, Gross RS, Lechner SM, Markison S, Joswig T, Kargo W, Piercey J, Santos M, Malany S, Zhao M, Petroski R, Crespo MI, Díaz JL, Saunders J, Wen J, O'Brien Z, Jalali K, Madan A, Slee DH.
N-[6-amino-2-(heteroaryl)pyrimidin-4-yl]acetamides as A2A receptor antagonists with improved drug like properties and... Lanier MC, Moorjani M, Luo Z, Chen Y, Lin E, Tellew JE, Zhang X, Williams JP, Gross RS, Lechner SM, Markison S, Joswig T, Kargo W, Piercey J, Santos M, Malany S, Zhao M, Petroski R, Crespo MI, Díaz JL, Saunders J, Wen J, O'Brien Z, Jalali K, Madan A, Slee DH.: N-[6-amino-2-(heteroaryl)pyrimidin-4-yl]acetamides as A2A receptor antagonists with improved drug like properties and in vivo efficacy. J Med Chem, Volume 52 (3), 2009 J Med Chem 2009 19140664
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Lansdell MI, Burring DJ, Hepworth D, Strawbridge M, Graham...
Lansdell MI, Burring DJ, Hepworth D, Strawbridge M, Graham E, Guyot T, Betson MS, Hart JD.
Design and synthesis of fluorescent SGLT2 inhibitors. Lansdell MI, Burring DJ, Hepworth D, Strawbridge M, Graham E, Guyot T, Betson MS, Hart JD.: Design and synthesis of fluorescent SGLT2 inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008 Bioorg Med Chem Lett 2008 18755586
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Total passive interactions: 0
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Lapinsky DJ, Aggarwal S, Huang Y, Surratt CK, Lever JR,...
Lapinsky DJ, Aggarwal S, Huang Y, Surratt CK, Lever JR, Foster JD, Vaughan RA.
A novel photoaffinity ligand for the dopamine transporter based on pyrovalerone. Lapinsky DJ, Aggarwal S, Huang Y, Surratt CK, Lever JR, Foster JD, Vaughan RA.: A novel photoaffinity ligand for the dopamine transporter based on pyrovalerone. Bioorg Med Chem, Volume 17 (11), 2009 Bioorg Med Chem 2009 19442525
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Lapinsky DJ, Velagaleti R, Yarravarapu N, Liu Y, Huang Y,...
Lapinsky DJ, Velagaleti R, Yarravarapu N, Liu Y, Huang Y, Surratt CK, Lever JR, Foster JD, Acharya R, Vaughan RA, Deutsch HM.
Azido-iodo-N-benzyl derivatives of threo-methylphenidate (Ritalin, Concerta): Rational design, synthesis,... Lapinsky DJ, Velagaleti R, Yarravarapu N, Liu Y, Huang Y, Surratt CK, Lever JR, Foster JD, Acharya R, Vaughan RA, Deutsch HM.: Azido-iodo-N-benzyl derivatives of threo-methylphenidate (Ritalin, Concerta): Rational design, synthesis, pharmacological evaluation, and dopamine transporter photoaffinity labeling. Bioorg Med Chem, Volume 19 (1), 2011 Bioorg Med Chem 2011 21129986
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Lapointe G, Skepper CK, Holder LM, Armstrong D, Bellamacina...
Lapointe G, Skepper CK, Holder LM, Armstrong D, Bellamacina C, Blais J, Bussiere D, Bian J, Cepura C, Chan H, Dean CR, De Pascale G, Dhumale B, Fisher LM, Fulsunder M, Kantariya B, Kim J, King S, Kossy L, Kulkarni U, Lakshman J, Leeds JA, Ling X, Lvov A, Ma S, Malekar S, McKenney D, Mergo W, Metzger L, Mhaske K, Moser HE, Mostafavi M, Namballa S, Noeske J, Osborne C, Patel A, Patel D, Patel T, Piechon P, Polyakov V, Prajapati K, Prosen KR, Reck F, Richie DL, Sanderson MR, Satasia S, Savani B, Selvarajah J, Sethuraman V, Shu W, Tashiro K, Thompson KV, Vaarla K, Vala L, Veselkov DA, Vo J, Vora B, Wagner T, Wedel L, Williams SL, Yendluri S, Yue Q, Yifru A, Zhang Y, Rivkin A.
Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against... Lapointe G, Skepper CK, Holder LM, Armstrong D, Bellamacina C, Blais J, Bussiere D, Bian J, Cepura C, Chan H, Dean CR, De Pascale G, Dhumale B, Fisher LM, Fulsunder M, Kantariya B, Kim J, King S, Kossy L, Kulkarni U, Lakshman J, Leeds JA, Ling X, Lvov A, Ma S, Malekar S, McKenney D, Mergo W, Metzger L, Mhaske K, Moser HE, Mostafavi M, Namballa S, Noeske J, Osborne C, Patel A, Patel D, Patel T, Piechon P, Polyakov V, Prajapati K, Prosen KR, Reck F, Richie DL, Sanderson MR, Satasia S, Savani B, Selvarajah J, Sethuraman V, Shu W, Tashiro K, Thompson KV, Vaarla K, Vala L, Veselkov DA, Vo J, Vora B, Wagner T, Wedel L, Williams SL, Yendluri S, Yue Q, Yifru A, Zhang Y, Rivkin A.: Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria. J Med Chem, Volume 64 (9), 2021 J Med Chem 2021 33929852
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LaPorte MG, Draper TL, Miller LE, Blackledge CW, Leister...
LaPorte MG, Draper TL, Miller LE, Blackledge CW, Leister LK, Amparo E, Hussey AR, Young DC, Chunduru SK, Benetatos CA, Rhodes G, Gopalsamy A, Herbertz T, Burns CJ, Condon SM.
The discovery and structure-activity relationships of pyrano[3,4-b]indole based inhibitors of hepatitis C virus NS5B... LaPorte MG, Draper TL, Miller LE, Blackledge CW, Leister LK, Amparo E, Hussey AR, Young DC, Chunduru SK, Benetatos CA, Rhodes G, Gopalsamy A, Herbertz T, Burns CJ, Condon SM.: The discovery and structure-activity relationships of pyrano[3,4-b]indole based inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 20 (9), 2010 Bioorg Med Chem Lett 2010 20347591
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Large JM, Birchall K, Bouloc NS, Merritt AT,...
Large JM, Birchall K, Bouloc NS, Merritt AT, Smiljanic-Hurley E, Tsagris DJ, Wheldon MC, Ansell KH, Coombs PJ, Kettleborough CA, Whalley D, Stewart LB, Bowyer PW, Baker DA, Osborne SA.
Potent inhibitors of malarial P. Falciparum protein kinase G: Improving the cell activity of a series of... Large JM, Birchall K, Bouloc NS, Merritt AT, Smiljanic-Hurley E, Tsagris DJ, Wheldon MC, Ansell KH, Coombs PJ, Kettleborough CA, Whalley D, Stewart LB, Bowyer PW, Baker DA, Osborne SA.: Potent inhibitors of malarial P. Falciparum protein kinase G: Improving the cell activity of a series of imidazopyridines. Bioorg Med Chem Lett, Volume 29 (3), 2019 Bioorg Med Chem Lett 2019 30553738
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Large JM, Osborne SA, Smiljanic-Hurley E, Ansell KH, Jones...
Large JM, Osborne SA, Smiljanic-Hurley E, Ansell KH, Jones HM, Taylor DL, Clough B, Green JL, Holder AA.
Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1):... Large JM, Osborne SA, Smiljanic-Hurley E, Ansell KH, Jones HM, Taylor DL, Clough B, Green JL, Holder AA.: Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1): Preparation and evaluation of pyrazole linked analogues. Bioorg Med Chem Lett, Volume 23 (21), 2013 Bioorg Med Chem Lett 2013 24035097
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Lasalle M, Hoguet V, Hennuyer N, Leroux F, Piveteau C,...
Lasalle M, Hoguet V, Hennuyer N, Leroux F, Piveteau C, Belloy L, Lestavel S, Vallez E, Dorchies E, Duplan I, Sevin E, Culot M, Gosselet F, Boulahjar R, Herledan A, Staels B, Deprez B, Tailleux A, Charton J.
Topical Intestinal Aminoimidazole Agonists of G-Protein-Coupled Bile Acid Receptor 1 Promote Glucagon Like Peptide-1... Lasalle M, Hoguet V, Hennuyer N, Leroux F, Piveteau C, Belloy L, Lestavel S, Vallez E, Dorchies E, Duplan I, Sevin E, Culot M, Gosselet F, Boulahjar R, Herledan A, Staels B, Deprez B, Tailleux A, Charton J.: Topical Intestinal Aminoimidazole Agonists of G-Protein-Coupled Bile Acid Receptor 1 Promote Glucagon Like Peptide-1 Secretion and Improve Glucose Tolerance. J Med Chem, Volume 60 (10), 2017 J Med Chem 2017 28414465
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Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V,...
Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.
Structure Property Relationships of Carboxylic Acid Isosteres. Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016 J Med Chem 2016 26967507
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Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y,...
Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y, Huang L, Vijayendran K, Monti L, Trojanowski JQ, Lee VM, Kozlowski MC, Smith AB, Brunden KR, Ballatore C.
Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional... Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y, Huang L, Vijayendran K, Monti L, Trojanowski JQ, Lee VM, Kozlowski MC, Smith AB, Brunden KR, Ballatore C.: Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group. ACS Med Chem Lett, Volume 8 (8), 2017 ACS Med Chem Lett 2017 28835803
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Latacz G, Hogendorf AS, Hogendorf A, Lubelska A, Wierońska...
Latacz G, Hogendorf AS, Hogendorf A, Lubelska A, Wierońska JM, Woźniak M, Cieślik P, Kieć-Kononowicz K, Handzlik J, Bojarski AJ.
Search for a 5-CT alternative. In vitro and in vivo evaluation of novel pharmacological tools:... Latacz G, Hogendorf AS, Hogendorf A, Lubelska A, Wierońska JM, Woźniak M, Cieślik P, Kieć-Kononowicz K, Handzlik J, Bojarski AJ.: Search for a 5-CT alternative. In vitro and in vivo evaluation of novel pharmacological tools: 3-(1-alkyl-1H-imidazol-5-yl)-1H-indole-5-carboxamides, low-basicity 5-HT7 receptor agonists. Medchemcomm, Volume 9 (11), 2018 Medchemcomm 2018 30568756
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Latacz G, Lubelska A, Jastrzębska-Więsek M, Partyka A,...
Latacz G, Lubelska A, Jastrzębska-Więsek M, Partyka A, Kucwaj-Brysz K, Wesołowska A, Kieć-Kononowicz K, Handzlik J.
MF-8, a novel promising arylpiperazine-hydantoin based 5-HT7 receptor antagonist: In vitro drug-likeness studies and in... Latacz G, Lubelska A, Jastrzębska-Więsek M, Partyka A, Kucwaj-Brysz K, Wesołowska A, Kieć-Kononowicz K, Handzlik J.: MF-8, a novel promising arylpiperazine-hydantoin based 5-HT7 receptor antagonist: In vitro drug-likeness studies and in vivo pharmacological evaluation. Bioorg Med Chem Lett, Volume 28 (5), 2018 Bioorg Med Chem Lett 2018 29439902
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Lategahn J, Hardick J, Grabe T, Niggenaber J, Jeyakumar K,...
Lategahn J, Hardick J, Grabe T, Niggenaber J, Jeyakumar K, Keul M, Tumbrink HL, Becker C, Hodson L, Kirschner T, Klövekorn P, Ketzer J, Baumann M, Terheyden S, Unger A, Weisner J, Müller MP, van Otterlo WAL, Bauer S, Rauh D.
Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. Lategahn J, Hardick J, Grabe T, Niggenaber J, Jeyakumar K, Keul M, Tumbrink HL, Becker C, Hodson L, Kirschner T, Klövekorn P, Ketzer J, Baumann M, Terheyden S, Unger A, Weisner J, Müller MP, van Otterlo WAL, Bauer S, Rauh D.: Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J Med Chem, Volume 63 (20), 2020 J Med Chem 2020 32931277
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Laufer R, Forrest B, Li SW, Liu Y, Sampson P, Edwards L,...
Laufer R, Forrest B, Li SW, Liu Y, Sampson P, Edwards L, Lang Y, Awrey DE, Mao G, Plotnikova O, Leung G, Hodgson R, Beletskaya I, Mason JM, Luo X, Wei X, Yao Y, Feher M, Ban F, Kiarash R, Green E, Mak TW, Pan G, Pauls HW.
The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents. Laufer R, Forrest B, Li SW, Liu Y, Sampson P, Edwards L, Lang Y, Awrey DE, Mao G, Plotnikova O, Leung G, Hodgson R, Beletskaya I, Mason JM, Luo X, Wei X, Yao Y, Feher M, Ban F, Kiarash R, Green E, Mak TW, Pan G, Pauls HW.: The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents. J Med Chem, Volume 56 (15), 2013 J Med Chem 2013 23829549
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Laufer R, Ng G, Liu Y, Patel NK, Edwards LG, Lang Y, Li SW,...
Laufer R, Ng G, Liu Y, Patel NK, Edwards LG, Lang Y, Li SW, Feher M, Awrey DE, Leung G, Beletskaya I, Plotnikova O, Mason JM, Hodgson R, Wei X, Mao G, Luo X, Huang P, Green E, Kiarash R, Lin DC, Harris-Brandts M, Ban F, Nadeem V, Mak TW, Pan GJ, Qiu W, Chirgadze NY, Pauls HW.
Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and... Laufer R, Ng G, Liu Y, Patel NK, Edwards LG, Lang Y, Li SW, Feher M, Awrey DE, Leung G, Beletskaya I, Plotnikova O, Mason JM, Hodgson R, Wei X, Mao G, Luo X, Huang P, Green E, Kiarash R, Lin DC, Harris-Brandts M, Ban F, Nadeem V, Mak TW, Pan GJ, Qiu W, Chirgadze NY, Pauls HW.: Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and carboxamides. Bioorg Med Chem, Volume 22 (17), 2014 Bioorg Med Chem 2014 25043312
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Law RP, Atkinson SJ, Bamborough P, Chung CW, Demont EH,...
Law RP, Atkinson SJ, Bamborough P, Chung CW, Demont EH, Gordon LJ, Lindon M, Prinjha RK, Watson AJB, Hirst DJ.
Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the... Law RP, Atkinson SJ, Bamborough P, Chung CW, Demont EH, Gordon LJ, Lindon M, Prinjha RK, Watson AJB, Hirst DJ.: Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain. J Med Chem, Volume 61 (10), 2018 J Med Chem 2018 29656650
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Lazerwith SE, Bahador G, Canales E, Cheng G, Chong L,...
Lazerwith SE, Bahador G, Canales E, Cheng G, Chong L, Clarke MO, Doerffler E, Eisenberg EJ, Hayes J, Lu B, Liu Q, Matles M, Mertzman M, Mitchell ML, Morganelli P, Murray BP, Robinson M, Strickley RG, Tessler M, Tirunagari N, Wang J, Wang Y, Zhang JR, Zheng X, Zhong W, Watkins WJ.
Optimization of Pharmacokinetics through Manipulation of Physicochemical Properties in a Series of HCV Inhibitors. Lazerwith SE, Bahador G, Canales E, Cheng G, Chong L, Clarke MO, Doerffler E, Eisenberg EJ, Hayes J, Lu B, Liu Q, Matles M, Mertzman M, Mitchell ML, Morganelli P, Murray BP, Robinson M, Strickley RG, Tessler M, Tirunagari N, Wang J, Wang Y, Zhang JR, Zheng X, Zhong W, Watkins WJ.: Optimization of Pharmacokinetics through Manipulation of Physicochemical Properties in a Series of HCV Inhibitors. ACS Med Chem Lett, Volume 2 (10), 2011 ACS Med Chem Lett 2011 24900257
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Le Manach C, Paquet T, Wicht K, Nchinda AT, Brunschwig C,...
Le Manach C, Paquet T, Wicht K, Nchinda AT, Brunschwig C, Njoroge M, Gibhard L, Taylor D, Lawrence N, Wittlin S, Eyermann CJ, Basarab GS, Duffy J, Fish PV, Street LJ, Chibale K.
Antimalarial Lead-Optimization Studies on a 2,6-Imidazopyridine Series within a Constrained Chemical Space To... Le Manach C, Paquet T, Wicht K, Nchinda AT, Brunschwig C, Njoroge M, Gibhard L, Taylor D, Lawrence N, Wittlin S, Eyermann CJ, Basarab GS, Duffy J, Fish PV, Street LJ, Chibale K.: Antimalarial Lead-Optimization Studies on a 2,6-Imidazopyridine Series within a Constrained Chemical Space To Circumvent Atypical Dose-Response Curves against Multidrug Resistant Parasite Strains. J Med Chem, Volume 61 (20), 2018 J Med Chem 2018 30256636
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Le Roux A, Blaise É, Boudreault PL, Comeau C, Doucet A,...
Le Roux A, Blaise É, Boudreault PL, Comeau C, Doucet A, Giarrusso M, Collin MP, Neubauer T, Kölling F, Göller AH, Seep L, Tshitenge DT, Wittwer M, Kullmann M, Hillisch A, Mittendorf J, Marsault E.
Structure-Permeability Relationship of Semipeptidic Macrocycles-Understanding and Optimizing Passive Permeability and... Le Roux A, Blaise É, Boudreault PL, Comeau C, Doucet A, Giarrusso M, Collin MP, Neubauer T, Kölling F, Göller AH, Seep L, Tshitenge DT, Wittwer M, Kullmann M, Hillisch A, Mittendorf J, Marsault E.: Structure-Permeability Relationship of Semipeptidic Macrocycles-Understanding and Optimizing Passive Permeability and Efflux Ratio. J Med Chem, Volume 63 (13), 2020 J Med Chem 2020 32453569
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Leahy JW, Buhr CA, Johnson HW, Kim BG, Baik T, Cannoy J,...
Leahy JW, Buhr CA, Johnson HW, Kim BG, Baik T, Cannoy J, Forsyth TP, Jeong JW, Lee MS, Ma S, Noson K, Wang L, Williams M, Nuss JM, Brooks E, Foster P, Goon L, Heald N, Holst C, Jaeger C, Lam S, Lougheed J, Nguyen L, Plonowski A, Song J, Stout T, Wu X, Yakes MF, Yu P, Zhang W, Lamb P, Raeber O.
Discovery of a novel series of potent and orally bioavailable phosphoinositide 3-kinase γ inhibitors. Leahy JW, Buhr CA, Johnson HW, Kim BG, Baik T, Cannoy J, Forsyth TP, Jeong JW, Lee MS, Ma S, Noson K, Wang L, Williams M, Nuss JM, Brooks E, Foster P, Goon L, Heald N, Holst C, Jaeger C, Lam S, Lougheed J, Nguyen L, Plonowski A, Song J, Stout T, Wu X, Yakes MF, Yu P, Zhang W, Lamb P, Raeber O.: Discovery of a novel series of potent and orally bioavailable phosphoinositide 3-kinase γ inhibitors. J Med Chem, Volume 55 (11), 2012 J Med Chem 2012 22548342
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Keith S. Learn, Jason C. Wagner, Mark S. Albom, Thelma S....
Keith S. Learn, Jason C. Wagner, Mark S. Albom, Thelma S. Angeles, Zeqi Huang, Arup K. Ghose, Weihua Wan, Mangeng Cheng, Bruce D. Dorsey, Gregory R. Ott
Design of 7-amino-6-chloro-3H-imidazo[4,5-b]pyridine scaffold from 5-chloro-2,4-diaminopyrimidine pharmacophore:... Learn, K.S et al.: Med. Chem. Commun., 2012,3, 1138-1142, 10.1039/C2MD20061A MedChemComm 2012 10.1039/C2MD200...
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Leaver DJ, Cleary B, Nguyen N, Priebbenow DL, Lagiakos HR,...
Leaver DJ, Cleary B, Nguyen N, Priebbenow DL, Lagiakos HR, Sanchez J, Xue L, Huang F, Sun Y, Mujumdar P, Mudududdla R, Varghese S, Teguh S, Charman SA, White KL, Katneni K, Cuellar M, Strasser JM, Dahlin JL, Walters MA, Street IP, Monahan BJ, Jarman KE, Sabroux HJ, Falk H, Chung MC, Hermans SJ, Parker MW, Thomas T, Baell JB.
Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A. Leaver DJ, Cleary B, Nguyen N, Priebbenow DL, Lagiakos HR, Sanchez J, Xue L, Huang F, Sun Y, Mujumdar P, Mudududdla R, Varghese S, Teguh S, Charman SA, White KL, Katneni K, Cuellar M, Strasser JM, Dahlin JL, Walters MA, Street IP, Monahan BJ, Jarman KE, Sabroux HJ, Falk H, Chung MC, Hermans SJ, Parker MW, Thomas T, Baell JB.: Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A. J Med Chem, Volume 62 (15), 2019 J Med Chem 2019 31256587
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Lebar MD, Hahn KN, Mutka T, Maignan P, McClintock JB,...
Lebar MD, Hahn KN, Mutka T, Maignan P, McClintock JB, Amsler CD, van Olphen A, Kyle DE, Baker BJ.
CNS and antimalarial activity of synthetic meridianin and psammopemmin analogs. Lebar MD, Hahn KN, Mutka T, Maignan P, McClintock JB, Amsler CD, van Olphen A, Kyle DE, Baker BJ.: CNS and antimalarial activity of synthetic meridianin and psammopemmin analogs. Bioorg Med Chem, Volume 19 (19), 2011 Bioorg Med Chem 2011 21907583
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lee D, Lee S, Choi J, Song YK, Kim MJ, Shin DS, Bae MA, Kim...
Lee D, Lee S, Choi J, Song YK, Kim MJ, Shin DS, Bae MA, Kim YC, Park CJ, Lee KR, Choi JH, Seo J.
Interplay among Conformation, Intramolecular Hydrogen Bonds, and Chameleonicity in the Membrane Permeability and... Lee D, Lee S, Choi J, Song YK, Kim MJ, Shin DS, Bae MA, Kim YC, Park CJ, Lee KR, Choi JH, Seo J.: Interplay among Conformation, Intramolecular Hydrogen Bonds, and Chameleonicity in the Membrane Permeability and Cyclophilin A Binding of Macrocyclic Peptide Cyclosporin O Derivatives. J Med Chem, Volume 64 (12), 2021 J Med Chem 2021 34096287
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Lee ECY, McRiner AJ, Georgiadis KE, Liu J, Wang Z, Ferguson...
Lee ECY, McRiner AJ, Georgiadis KE, Liu J, Wang Z, Ferguson AD, Levin B, von Rechenberg M, Hupp CD, Monteiro MI, Keefe AD, Olszewski A, Eyermann CJ, Centrella P, Liu Y, Arora S, Cuozzo JW, Zhang Y, Clark MA, Huguet C, Kohlmann A.
Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening. Lee ECY, McRiner AJ, Georgiadis KE, Liu J, Wang Z, Ferguson AD, Levin B, von Rechenberg M, Hupp CD, Monteiro MI, Keefe AD, Olszewski A, Eyermann CJ, Centrella P, Liu Y, Arora S, Cuozzo JW, Zhang Y, Clark MA, Huguet C, Kohlmann A.: Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening. J Med Chem, Volume 64 (10), 2021 J Med Chem 2021 33955740
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Lee HY, Nepali K, Huang FI, Chang CY, Lai MJ, Li YH, Huang...
Lee HY, Nepali K, Huang FI, Chang CY, Lai MJ, Li YH, Huang HL, Yang CR, Liou JP.
(N-Hydroxycarbonylbenylamino)quinolines as Selective Histone Deacetylase 6 Inhibitors Suppress Growth of Multiple... Lee HY, Nepali K, Huang FI, Chang CY, Lai MJ, Li YH, Huang HL, Yang CR, Liou JP.: (N-Hydroxycarbonylbenylamino)quinolines as Selective Histone Deacetylase 6 Inhibitors Suppress Growth of Multiple Myeloma in Vitro and in Vivo. J Med Chem, Volume 61 (3), 2018 J Med Chem 2018 29304284
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Lee J, Lee SH, Seo HJ, Son EJ, Lee SH, Jung ME, Lee M, Han...
Lee J, Lee SH, Seo HJ, Son EJ, Lee SH, Jung ME, Lee M, Han HK, Kim J, Kang J, Lee J.
Novel C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents: 1,3,4-Thiadiazolylmethylphenyl glucoside... Lee J, Lee SH, Seo HJ, Son EJ, Lee SH, Jung ME, Lee M, Han HK, Kim J, Kang J, Lee J.: Novel C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents: 1,3,4-Thiadiazolylmethylphenyl glucoside congeners. Bioorg Med Chem, Volume 18 (6), 2010 Bioorg Med Chem 2010 20181486
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lee JE, Koh HY, Seo SH, Baek YY, Rhim H, Cho YS, Choo H,...
Lee JE, Koh HY, Seo SH, Baek YY, Rhim H, Cho YS, Choo H, Pae AN.
Synthesis and biological evaluation of oxazole derivatives as T-type calcium channel blockers. Lee JE, Koh HY, Seo SH, Baek YY, Rhim H, Cho YS, Choo H, Pae AN.: Synthesis and biological evaluation of oxazole derivatives as T-type calcium channel blockers. Bioorg Med Chem Lett, Volume 20 (14), 2010 Bioorg Med Chem Lett 2010 20621730
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lee JH, Jeon JE, Lee YJ, Lee HS, Sim CJ, Oh KB, Shin J.
Lee JH, Jeon JE, Lee YJ, Lee HS, Sim CJ, Oh KB, Shin J.
Nortriterpene glycosides of the sarasinoside class from the sponge Lipastrotethya sp. Lee JH, Jeon JE, Lee YJ, Lee HS, Sim CJ, Oh KB, Shin J.: Nortriterpene glycosides of the sarasinoside class from the sponge Lipastrotethya sp. J Nat Prod, Volume 75 (7), 2012 J Nat Prod 2012 22742761
Total substances: 10
Total passive interactions: 0
Total active interactions: 70
Lee K, Jung WH, Park CW, Hong CY, Kim IC, Kim S, Oh YS,...
Lee K, Jung WH, Park CW, Hong CY, Kim IC, Kim S, Oh YS, Kwon OH, Lee SH, Park HD, Kim SW, Lee YH, Yoo YJ.
Benzylamine-based selective and orally bioavailable inhibitors of thrombin. Lee K, Jung WH, Park CW, Hong CY, Kim IC, Kim S, Oh YS, Kwon OH, Lee SH, Park HD, Kim SW, Lee YH, Yoo YJ.: Benzylamine-based selective and orally bioavailable inhibitors of thrombin. Bioorg Med Chem Lett, Volume 8 (18), 1998 Bioorg Med Chem Lett 1998 9873581
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Lee KH, Park CE, Min KH, Shin YJ, Chung CM, Kim HH, Yoon...
Lee KH, Park CE, Min KH, Shin YJ, Chung CM, Kim HH, Yoon HJ, Won-Kim, Ryu EJ, Shin YJ, Nam HS, Cho JW, Lee HY.
Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple... Lee KH, Park CE, Min KH, Shin YJ, Chung CM, Kim HH, Yoon HJ, Won-Kim, Ryu EJ, Shin YJ, Nam HS, Cho JW, Lee HY.: Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 20 (18), 2010 Bioorg Med Chem Lett 2010 20724153
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lee S, Lee H, Yi KY, Lee BH, Yoo SE, Lee K, Cho NS.
Lee S, Lee H, Yi KY, Lee BH, Yoo SE, Lee K, Cho NS.
4-Substituted (benzo[b]thiophene-2-carbonyl)guanidines as novel Na+/H+ exchanger isoform-1 (NHE-1) inhibitors. Lee S, Lee H, Yi KY, Lee BH, Yoo SE, Lee K, Cho NS.: 4-Substituted (benzo[b]thiophene-2-carbonyl)guanidines as novel Na+/H+ exchanger isoform-1 (NHE-1) inhibitors. Bioorg Med Chem Lett, Volume 15 (12), 2005 Bioorg Med Chem Lett 2005 15914000
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lee S, Yi KY, Youn SJ, Lee BH, Yoo SE.
Lee S, Yi KY, Youn SJ, Lee BH, Yoo SE.
(2-Aryl-5-methylimidazol-4-ylcarbonyl)guanidines and (2-aryl-5-methyloxazol-4-ylcarbonyl)guanidines as NHE-1 inhibitors. Lee S, Yi KY, Youn SJ, Lee BH, Yoo SE.: (2-Aryl-5-methylimidazol-4-ylcarbonyl)guanidines and (2-aryl-5-methyloxazol-4-ylcarbonyl)guanidines as NHE-1 inhibitors. Bioorg Med Chem Lett, Volume 19 (5), 2009 Bioorg Med Chem Lett 2009 19201189
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lee W, Crawford JJ, Aliagas I, Murray LJ, Tay S, Wang W,...
Lee W, Crawford JJ, Aliagas I, Murray LJ, Tay S, Wang W, Heise CE, Hoeflich KP, La H, Mathieu S, Mintzer R, Ramaswamy S, Rouge L, Rudolph J.
Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors. Lee W, Crawford JJ, Aliagas I, Murray LJ, Tay S, Wang W, Heise CE, Hoeflich KP, La H, Mathieu S, Mintzer R, Ramaswamy S, Rouge L, Rudolph J.: Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors. Bioorg Med Chem Lett, Volume 26 (15), 2016 Bioorg Med Chem Lett 2016 27346791
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Lee W, Ortwine DF, Bergeron P, Lau K, Lin L, Malek S,...
Lee W, Ortwine DF, Bergeron P, Lau K, Lin L, Malek S, Nonomiya J, Pei Z, Robarge KD, Schmidt S, Sideris S, Lyssikatos JP.
A hit to lead discovery of novel N-methylated imidazolo-, pyrrolo-, and pyrazolo-pyrimidines as potent and selective... Lee W, Ortwine DF, Bergeron P, Lau K, Lin L, Malek S, Nonomiya J, Pei Z, Robarge KD, Schmidt S, Sideris S, Lyssikatos JP.: A hit to lead discovery of novel N-methylated imidazolo-, pyrrolo-, and pyrazolo-pyrimidines as potent and selective mTOR inhibitors. Bioorg Med Chem Lett, Volume 23 (18), 2013 Bioorg Med Chem Lett 2013 23932790
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Lee WK, Reichold M, Edemir B, Ciarimboli G, Warth R,...
Lee WK, Reichold M, Edemir B, Ciarimboli G, Warth R, Koepsell H, Thévenod F.
Organic cation transporters OCT1, 2, and 3 mediate high-affinity transport of the mutagenic vital dye ethidium in the... Lee WK, Reichold M, Edemir B, Ciarimboli G, Warth R, Koepsell H, Thévenod F.: Organic cation transporters OCT1, 2, and 3 mediate high-affinity transport of the mutagenic vital dye ethidium in the kidney proximal tubule. Am J Physiol Renal Physiol, Volume 296 (6), 2009 Am J Physiol Renal Physiol 2009 19357179
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W,...
Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.
7-fluoroindazoles as potent and selective inhibitors of factor Xa. Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.: 7-fluoroindazoles as potent and selective inhibitors of factor Xa. J Med Chem, Volume 51 (2), 2008 J Med Chem 2008 18159923
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Leenders RGG, Brinch SA, Sowa ST, Amundsen-Isaksen E,...
Leenders RGG, Brinch SA, Sowa ST, Amundsen-Isaksen E, Galera-Prat A, Murthy S, Aertssen S, Smits JN, Nieczypor P, Damen E, Wegert A, Nazaré M, Lehtiö L, Waaler J, Krauss S.
Development of a 1,2,4-Triazole-Based Lead Tankyrase Inhibitor: Part II. Leenders RGG, Brinch SA, Sowa ST, Amundsen-Isaksen E, Galera-Prat A, Murthy S, Aertssen S, Smits JN, Nieczypor P, Damen E, Wegert A, Nazaré M, Lehtiö L, Waaler J, Krauss S.: Development of a 1,2,4-Triazole-Based Lead Tankyrase Inhibitor: Part II. J Med Chem, Volume 64 (24), 2021 J Med Chem 2021 34878777
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Lefranc J, Schulze VK, Hillig RC, Briem H, Prinz F, Mengel...
Lefranc J, Schulze VK, Hillig RC, Briem H, Prinz F, Mengel A, Heinrich T, Balint J, Rengachari S, Irlbacher H, Stöckigt D, Bömer U, Bader B, Gradl SN, Nising CF, von Nussbaum F, Mumberg D, Panne D, Wengner AM.
Discovery of BAY-985, a Highly Selective TBK1/IKKε Inhibitor. Lefranc J, Schulze VK, Hillig RC, Briem H, Prinz F, Mengel A, Heinrich T, Balint J, Rengachari S, Irlbacher H, Stöckigt D, Bömer U, Bader B, Gradl SN, Nising CF, von Nussbaum F, Mumberg D, Panne D, Wengner AM.: Discovery of BAY-985, a Highly Selective TBK1/IKKε Inhibitor. J Med Chem, Volume 63 (2), 2020 J Med Chem 2020 31859507
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Legendre O, Pecic S, Chaudhary S, Zimmerman SM, Fantegrossi...
Legendre O, Pecic S, Chaudhary S, Zimmerman SM, Fantegrossi WE, Harding WW.
Synthetic studies and pharmacological evaluations on the MDMA ('Ecstasy') antagonist nantenine. Legendre O, Pecic S, Chaudhary S, Zimmerman SM, Fantegrossi WE, Harding WW.: Synthetic studies and pharmacological evaluations on the MDMA ('Ecstasy') antagonist nantenine. Bioorg Med Chem Lett, Volume 20 (2), 2010 Bioorg Med Chem Lett 2010 19963380
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Leier I, Hummel-Eisenbeiss J, Cui Y, Keppler D.
Leier I, Hummel-Eisenbeiss J, Cui Y, Keppler D.
ATP-dependent para-aminohippurate transport by apical multidrug resistance protein MRP2. Leier I, Hummel-Eisenbeiss J, Cui Y, Keppler D.: ATP-dependent para-aminohippurate transport by apical multidrug resistance protein MRP2. Kidney Int, Volume 57 (4), 2000 Kidney Int 2000 10760098
Total substances: 4
Total passive interactions: 0
Total active interactions: 5
Leiva R, Griñan-Ferré C, Seira C, Valverde E, McBride A,...
Leiva R, Griñan-Ferré C, Seira C, Valverde E, McBride A, Binnie M, Pérez B, Luque FJ, Pallàs M, Bidon-Chanal A, Webster SP, Vázquez S.
Design, synthesis and in vivo study of novel pyrrolidine-based 11β-HSD1 inhibitors for age-related cognitive... Leiva R, Griñan-Ferré C, Seira C, Valverde E, McBride A, Binnie M, Pérez B, Luque FJ, Pallàs M, Bidon-Chanal A, Webster SP, Vázquez S.: Design, synthesis and in vivo study of novel pyrrolidine-based 11β-HSD1 inhibitors for age-related cognitive dysfunction. Eur J Med Chem, Volume 139, 2017 Eur J Med Chem 2017 28818766
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Lemieux MR, Siricilla S, Mitachi K, Eslamimehr S, Wang Y,...
Lemieux MR, Siricilla S, Mitachi K, Eslamimehr S, Wang Y, Yang D, Pressly JD, Kong Y, Park F, Franzblau SG, Kurosu M.
An antimycobacterial pleuromutilin analogue effective against dormant bacilli. Lemieux MR, Siricilla S, Mitachi K, Eslamimehr S, Wang Y, Yang D, Pressly JD, Kong Y, Park F, Franzblau SG, Kurosu M.: An antimycobacterial pleuromutilin analogue effective against dormant bacilli. Bioorg Med Chem, Volume 26 (17), 2018 Bioorg Med Chem 2018 30145051
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Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek...
Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.
Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane... Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010 Bioorg Med Chem Lett 2010 20004099
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Lemurell M, Ulander J, Emtenäs H, Winiwarter S, Broddefalk...
Lemurell M, Ulander J, Emtenäs H, Winiwarter S, Broddefalk J, Swanson M, Hayes MA, Prieto Garcia L, Westin Eriksson A, Meuller J, Cassel J, Saarinen G, Yuan ZQ, Löfberg C, Karlsson S, Sundqvist M, Whatling C.
Novel Chemical Series of 5-Lipoxygenase-Activating Protein Inhibitors for Treatment of Coronary Artery Disease. Lemurell M, Ulander J, Emtenäs H, Winiwarter S, Broddefalk J, Swanson M, Hayes MA, Prieto Garcia L, Westin Eriksson A, Meuller J, Cassel J, Saarinen G, Yuan ZQ, Löfberg C, Karlsson S, Sundqvist M, Whatling C.: Novel Chemical Series of 5-Lipoxygenase-Activating Protein Inhibitors for Treatment of Coronary Artery Disease. J Med Chem, Volume 62 (9), 2019 J Med Chem 2019 30929436
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Lenhart JA, Ling X, Gandhi R, Guo TL, Gerk PM, Brunzell DH,...
Lenhart JA, Ling X, Gandhi R, Guo TL, Gerk PM, Brunzell DH, Zhang S.
"Clicked" bivalent ligands containing curcumin and cholesterol as multifunctional abeta oligomerization inhibitors:... Lenhart JA, Ling X, Gandhi R, Guo TL, Gerk PM, Brunzell DH, Zhang S.: "Clicked" bivalent ligands containing curcumin and cholesterol as multifunctional abeta oligomerization inhibitors: design, synthesis, and biological characterization. J Med Chem, Volume 53 (16), 2010 J Med Chem 2010 20666513
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Leonhardt M, Keiser M, Oswald S, Kühn J, Jia J, Grube M,...
Leonhardt M, Keiser M, Oswald S, Kühn J, Jia J, Grube M, Kroemer HK, Siegmund W, Weitschies W.
Hepatic uptake of the magnetic resonance imaging contrast agent Gd-EOB-DTPA: role of human organic anion transporters. Leonhardt M, Keiser M, Oswald S, Kühn J, Jia J, Grube M, Kroemer HK, Siegmund W, Weitschies W.: Hepatic uptake of the magnetic resonance imaging contrast agent Gd-EOB-DTPA: role of human organic anion transporters. Drug Metab Dispos, Volume 38 (7), 2010 Drug Metab Dispos 2010 20406852
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Leopoldo M, Lacivita E, De Giorgio P, Colabufo NA, Niso M,...
Leopoldo M, Lacivita E, De Giorgio P, Colabufo NA, Niso M, Berardi F, Perrone R.
Design, synthesis, and binding affinities of potential positron emission tomography (PET) ligands for visualization of... Leopoldo M, Lacivita E, De Giorgio P, Colabufo NA, Niso M, Berardi F, Perrone R.: Design, synthesis, and binding affinities of potential positron emission tomography (PET) ligands for visualization of brain dopamine D3 receptors. J Med Chem, Volume 49 (1), 2006 J Med Chem 2006 16392820
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Lepist EI, Damaraju VL, Zhang J, Gati WP, Yao SY, Smith KM,...
Lepist EI, Damaraju VL, Zhang J, Gati WP, Yao SY, Smith KM, Karpinski E, Young JD, Leung KH, Cass CE.
Transport of A1 adenosine receptor agonist tecadenoson by human and mouse nucleoside transporters: evidence for... Lepist EI, Damaraju VL, Zhang J, Gati WP, Yao SY, Smith KM, Karpinski E, Young JD, Leung KH, Cass CE.: Transport of A1 adenosine receptor agonist tecadenoson by human and mouse nucleoside transporters: evidence for blood-brain barrier transport by murine equilibrative nucleoside transporter 1 mENT1. Drug Metab Dispos, Volume 41 (4), 2013 Drug Metab Dispos 2013 23388705
Total substances: 3
Total passive interactions: 0
Total active interactions: 6
Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H,...
Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.
Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010 Bioorg Med Chem Lett 2010 19963375
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Leslie EM, Mao Q, Oleschuk CJ, Deeley RG, Cole SP.
Leslie EM, Mao Q, Oleschuk CJ, Deeley RG, Cole SP.
Modulation of multidrug resistance protein 1 (MRP1/ABCC1) transport and atpase activities by interaction with dietary... Leslie EM, Mao Q, Oleschuk CJ, Deeley RG, Cole SP.: Modulation of multidrug resistance protein 1 (MRP1/ABCC1) transport and atpase activities by interaction with dietary flavonoids. Mol Pharmacol, Volume 59 (5), 2001 Mol Pharmacol 2001 11306701
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lespine A, Dupuy J, Orlowski S, Nagy T, Glavinas H, Krajcsi...
Lespine A, Dupuy J, Orlowski S, Nagy T, Glavinas H, Krajcsi P, Alvinerie M.
Interaction of ivermectin with multidrug resistance proteins (MRP1, 2 and 3). Lespine A, Dupuy J, Orlowski S, Nagy T, Glavinas H, Krajcsi P, Alvinerie M.: Interaction of ivermectin with multidrug resistance proteins (MRP1, 2 and 3). Chem Biol Interact, Volume 159 (3), 2006 Chem Biol Interact 2006 16384552
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lespine A, Martin S, Dupuy J, Roulet A, Pineau T, Orlowski...
Lespine A, Martin S, Dupuy J, Roulet A, Pineau T, Orlowski S, Alvinerie M.
Interaction of macrocyclic lactones with P-glycoprotein: structure-affinity relationship. Lespine A, Martin S, Dupuy J, Roulet A, Pineau T, Orlowski S, Alvinerie M.: Interaction of macrocyclic lactones with P-glycoprotein: structure-affinity relationship. Eur J Pharm Sci, Volume 30 (1), 2007 Eur J Pharm Sci 2007 17134887
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Letavic MA, Aluisio L, Apodaca R, Bajpai M, Barbier AJ,...
Letavic MA, Aluisio L, Apodaca R, Bajpai M, Barbier AJ, Bonneville A, Bonaventure P, Carruthers NI, Dugovic C, Fraser IC, Kramer ML, Lord B, Lovenberg TW, Li LY, Ly KS, Mcallister H, Mani NS, Morton KL, Ndifor A, Nepomuceno SD, Pandit CR, Sands SB, Shah CR, Shelton JE, Snook SS, Swanson DM, Xiao W.
Novel benzamide-based histamine h3 receptor antagonists: the identification of two candidates for clinical development. Letavic MA, Aluisio L, Apodaca R, Bajpai M, Barbier AJ, Bonneville A, Bonaventure P, Carruthers NI, Dugovic C, Fraser IC, Kramer ML, Lord B, Lovenberg TW, Li LY, Ly KS, Mcallister H, Mani NS, Morton KL, Ndifor A, Nepomuceno SD, Pandit CR, Sands SB, Shah CR, Shelton JE, Snook SS, Swanson DM, Xiao W.: Novel benzamide-based histamine h3 receptor antagonists: the identification of two candidates for clinical development. ACS Med Chem Lett, Volume 6 (4), 2015 ACS Med Chem Lett 2015 25893048
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Letavic MA, Aluisio L, Atack JR, Bonaventure P, Carruthers...
Letavic MA, Aluisio L, Atack JR, Bonaventure P, Carruthers NI, Dugovic C, Everson A, Feinstein MA, Fraser IC, Hoey K, Jiang X, Keith JM, Koudriakova T, Leung P, Lord B, Lovenberg TW, Ly KS, Morton KL, Motley ST, Nepomuceno D, Rizzolio M, Rynberg R, Sepassi K, Shelton J.
Pre-clinical characterization of aryloxypyridine amides as histamine H3 receptor antagonists: identification of... Letavic MA, Aluisio L, Atack JR, Bonaventure P, Carruthers NI, Dugovic C, Everson A, Feinstein MA, Fraser IC, Hoey K, Jiang X, Keith JM, Koudriakova T, Leung P, Lord B, Lovenberg TW, Ly KS, Morton KL, Motley ST, Nepomuceno D, Rizzolio M, Rynberg R, Sepassi K, Shelton J.: Pre-clinical characterization of aryloxypyridine amides as histamine H3 receptor antagonists: identification of candidates for clinical development. Bioorg Med Chem Lett, Volume 20 (14), 2010 Bioorg Med Chem Lett 2010 20561786
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Letavic MA, Bonaventure P, Carruthers NI, Dugovic C,...
Letavic MA, Bonaventure P, Carruthers NI, Dugovic C, Koudriakova T, Lord B, Lovenberg TW, Ly KS, Mani NS, Nepomuceno D, Pippel DJ, Rizzolio M, Shelton JE, Shah CR, Shireman BT, Young LK, Yun S.
Novel Octahydropyrrolo[3,4-c]pyrroles Are Selective Orexin-2 Antagonists: SAR Leading to a Clinical Candidate. Letavic MA, Bonaventure P, Carruthers NI, Dugovic C, Koudriakova T, Lord B, Lovenberg TW, Ly KS, Mani NS, Nepomuceno D, Pippel DJ, Rizzolio M, Shelton JE, Shah CR, Shireman BT, Young LK, Yun S.: Novel Octahydropyrrolo[3,4-c]pyrroles Are Selective Orexin-2 Antagonists: SAR Leading to a Clinical Candidate. J Med Chem, Volume 58 (14), 2015 J Med Chem 2015 26087021
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Letavic MA, Lord B, Bischoff F, Hawryluk NA, Pieters S,...
Letavic MA, Lord B, Bischoff F, Hawryluk NA, Pieters S, Rech JC, Sales Z, Velter AI, Ao H, Bonaventure P, Contreras V, Jiang X, Morton KL, Scott B, Wang Q, Wickenden AD, Carruthers NI, Bhattacharya A.
Synthesis and Pharmacological Characterization of Two Novel, Brain Penetrating P2X7 Antagonists. Letavic MA, Lord B, Bischoff F, Hawryluk NA, Pieters S, Rech JC, Sales Z, Velter AI, Ao H, Bonaventure P, Contreras V, Jiang X, Morton KL, Scott B, Wang Q, Wickenden AD, Carruthers NI, Bhattacharya A.: Synthesis and Pharmacological Characterization of Two Novel, Brain Penetrating P2X7 Antagonists. ACS Med Chem Lett, Volume 4 (4), 2013 ACS Med Chem Lett 2013 24900687
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Letavic MA, Savall BM, Allison BD, Aluisio L, Andres JI, De...
Letavic MA, Savall BM, Allison BD, Aluisio L, Andres JI, De Angelis M, Ao H, Beauchamp DA, Bonaventure P, Bryant S, Carruthers NI, Ceusters M, Coe KJ, Dvorak CA, Fraser IC, Gelin CF, Koudriakova T, Liang J, Lord B, Lovenberg TW, Otieno MA, Schoetens F, Swanson DM, Wang Q, Wickenden AD, Bhattacharya A.
4-Methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-Based P2X7 Receptor Antagonists: Optimization of Pharmacokinetic... Letavic MA, Savall BM, Allison BD, Aluisio L, Andres JI, De Angelis M, Ao H, Beauchamp DA, Bonaventure P, Bryant S, Carruthers NI, Ceusters M, Coe KJ, Dvorak CA, Fraser IC, Gelin CF, Koudriakova T, Liang J, Lord B, Lovenberg TW, Otieno MA, Schoetens F, Swanson DM, Wang Q, Wickenden AD, Bhattacharya A.: 4-Methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-Based P2X7 Receptor Antagonists: Optimization of Pharmacokinetic Properties Leading to the Identification of a Clinical Candidate. J Med Chem, Volume 60 (11), 2017 J Med Chem 2017 28493698
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Letourneau JJ, Liu J, Ohlmeyer MH, Riviello C, Rong Y, Li...
Letourneau JJ, Liu J, Ohlmeyer MH, Riviello C, Rong Y, Li H, Appell KC, Bansal S, Jacob B, Wong A, Webb ML.
Synthesis and initial evaluation of novel, non-peptidic antagonists of the alpha(v)-integrins alpha(v)beta(3) and... Letourneau JJ, Liu J, Ohlmeyer MH, Riviello C, Rong Y, Li H, Appell KC, Bansal S, Jacob B, Wong A, Webb ML.: Synthesis and initial evaluation of novel, non-peptidic antagonists of the alpha(v)-integrins alpha(v)beta(3) and alpha(v)beta(5). Bioorg Med Chem Lett, Volume 19 (2), 2009 Bioorg Med Chem Lett 2009 19081719
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Letschert K, Faulstich H, Keller D, Keppler D.
Letschert K, Faulstich H, Keller D, Keppler D.
Molecular characterization and inhibition of amanitin uptake into human hepatocytes. Letschert K, Faulstich H, Keller D, Keppler D.: Molecular characterization and inhibition of amanitin uptake into human hepatocytes. Toxicol Sci, Volume 91 (1), 2006 Toxicol Sci 2006 16495352
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
Leung L, Niculescu-Duvaz D, Smithen D, Lopes F, Callens C,...
Leung L, Niculescu-Duvaz D, Smithen D, Lopes F, Callens C, McLeary R, Saturno G, Davies L, Aljarah M, Brown M, Johnson L, Zambon A, Chambers T, Ménard D, Bayliss N, Knight R, Fish L, Lawrence R, Challinor M, Tang H, Marais R, Springer C.
Anti-metastatic Inhibitors of Lysyl Oxidase (LOX): Design and Structure-Activity Relationships. Leung L, Niculescu-Duvaz D, Smithen D, Lopes F, Callens C, McLeary R, Saturno G, Davies L, Aljarah M, Brown M, Johnson L, Zambon A, Chambers T, Ménard D, Bayliss N, Knight R, Fish L, Lawrence R, Challinor M, Tang H, Marais R, Springer C.: Anti-metastatic Inhibitors of Lysyl Oxidase (LOX): Design and Structure-Activity Relationships. J Med Chem, Volume 62 (12), 2019 J Med Chem 2019 31070916
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Lévesque JF, Bleasby K, Chefson A, Chen A, Dubé D,...
Lévesque JF, Bleasby K, Chefson A, Chen A, Dubé D, Ducharme Y, Fournier PA, Gagné S, Gallant M, Grimm E, Hafey M, Han Y, Houle R, Lacombe P, Laliberté S, MacDonald D, Mackay B, Papp R, Tschirret-Guth R.
Impact of passive permeability and gut efflux transport on the oral bioavailability of novel series of piperidine-based... Lévesque JF, Bleasby K, Chefson A, Chen A, Dubé D, Ducharme Y, Fournier PA, Gagné S, Gallant M, Grimm E, Hafey M, Han Y, Houle R, Lacombe P, Laliberté S, MacDonald D, Mackay B, Papp R, Tschirret-Guth R.: Impact of passive permeability and gut efflux transport on the oral bioavailability of novel series of piperidine-based renin inhibitors in rodents. Bioorg Med Chem Lett, Volume 21 (18), 2011 Bioorg Med Chem Lett 2011 21784634
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Levin JI, Chen JM, Laakso LM, Du M, Schmid J, Xu W, Cummons...
Levin JI, Chen JM, Laakso LM, Du M, Schmid J, Xu W, Cummons T, Xu J, Jin G, Barone D, Skotnicki JS.
Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Levin JI, Chen JM, Laakso LM, Du M, Schmid J, Xu W, Cummons T, Xu J, Jin G, Barone D, Skotnicki JS.: Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg Med Chem Lett, Volume 16 (6), 2006 Bioorg Med Chem Lett 2006 16426848
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Lewin AH, Miller GM, Gilmour B.
Lewin AH, Miller GM, Gilmour B.
Trace amine-associated receptor 1 is a stereoselective binding site for compounds in the amphetamine class. Lewin AH, Miller GM, Gilmour B.: Trace amine-associated receptor 1 is a stereoselective binding site for compounds in the amphetamine class. Bioorg Med Chem, Volume 19 (23), 2011 Bioorg Med Chem 2011 22037049
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lewis TA, Bayless L, Eckman JB, Ellis JL, Grewal G,...
Lewis TA, Bayless L, Eckman JB, Ellis JL, Grewal G, Libertine L, Marie Nicolas J, Scannell RT, Wels BF, Wenberg K, Wypij DM.
5-lipoxygenase inhibitors with histamine H(1) receptor antagonist activity. Lewis TA, Bayless L, Eckman JB, Ellis JL, Grewal G, Libertine L, Marie Nicolas J, Scannell RT, Wels BF, Wenberg K, Wypij DM.: 5-lipoxygenase inhibitors with histamine H(1) receptor antagonist activity. Bioorg Med Chem Lett, Volume 14 (9), 2004 Bioorg Med Chem Lett 2004 15081022
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Leyers S, Häcker HG, Wiendlocha J, Gütschow M, Wiese M.
Leyers S, Häcker HG, Wiendlocha J, Gütschow M, Wiese M.
A 4-aminobenzoic acid derivative as novel lead for selective inhibitors of multidrug resistance-associated proteins. Leyers S, Häcker HG, Wiendlocha J, Gütschow M, Wiese M.: A 4-aminobenzoic acid derivative as novel lead for selective inhibitors of multidrug resistance-associated proteins. Bioorg Med Chem Lett, Volume 18 (17), 2008 Bioorg Med Chem Lett 2008 18707884
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Li AR, Zhang J, Greenberg J, Lee T, Liu J.
Li AR, Zhang J, Greenberg J, Lee T, Liu J.
Discovery of non-glucoside SGLT2 inhibitors. Li AR, Zhang J, Greenberg J, Lee T, Liu J.: Discovery of non-glucoside SGLT2 inhibitors. Bioorg Med Chem Lett, Volume 21 (8), 2011 Bioorg Med Chem Lett 2011 21398124
Total substances: 2
Total passive interactions: 0
Total active interactions: 4
Li C, Yang X, Luo Y, Liu H, Zhong X, Zhou X, Zeng T, Tao L,...
Li C, Yang X, Luo Y, Liu H, Zhong X, Zhou X, Zeng T, Tao L, Zhou Y, Gou K, Yang X, Liu X, Chen Q, Zhao Y, Luo Y.
Design, Synthesis, and Biological Evaluation of a Novel Series of Teriflunomide Derivatives as Potent Human... Li C, Yang X, Luo Y, Liu H, Zhong X, Zhou X, Zeng T, Tao L, Zhou Y, Gou K, Yang X, Liu X, Chen Q, Zhao Y, Luo Y.: Design, Synthesis, and Biological Evaluation of a Novel Series of Teriflunomide Derivatives as Potent Human Dihydroorotate Dehydrogenase Inhibitors for Malignancy Treatment. J Med Chem, Volume 64 (24), 2021 J Med Chem 2021 34905371
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Li D, Zhang X, Ma X, Xu L, Yu J, Gao L, Hu X, Zhang J, Dong...
Li D, Zhang X, Ma X, Xu L, Yu J, Gao L, Hu X, Zhang J, Dong X, Li J, Liu T, Zhou Y, Hu Y.
Development of Macrocyclic Peptides Containing Epoxyketone with Oral Availability as Proteasome Inhibitors. Li D, Zhang X, Ma X, Xu L, Yu J, Gao L, Hu X, Zhang J, Dong X, Li J, Liu T, Zhou Y, Hu Y.: Development of Macrocyclic Peptides Containing Epoxyketone with Oral Availability as Proteasome Inhibitors. J Med Chem, Volume 61 (20), 2018 J Med Chem 2018 30265557
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Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.
Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.
Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia... Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016 Bioorg Med Chem 2016 27720555
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Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang...
Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.
Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against... Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017 Bioorg Med Chem 2017 28549891
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Li G, Meanwell NA, Krystal MR, Langley DR, Naidu BN,...
Li G, Meanwell NA, Krystal MR, Langley DR, Naidu BN, Sivaprakasam P, Lewis H, Kish K, Khan JA, Ng A, Trainor GL, Cianci C, Dicker IB, Walker MA, Lin Z, Protack T, Discotto L, Jenkins S, Gerritz SW, Pendri A.
Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase... Li G, Meanwell NA, Krystal MR, Langley DR, Naidu BN, Sivaprakasam P, Lewis H, Kish K, Khan JA, Ng A, Trainor GL, Cianci C, Dicker IB, Walker MA, Lin Z, Protack T, Discotto L, Jenkins S, Gerritz SW, Pendri A.: Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors. J Med Chem, Volume 63 (5), 2020 J Med Chem 2020 32081010
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Li H, Linton A, Tatlock J, Gonzalez J, Borchardt A, Abreo...
Li H, Linton A, Tatlock J, Gonzalez J, Borchardt A, Abreo M, Jewell T, Patel L, Drowns M, Ludlum S, Goble M, Yang M, Blazel J, Rahavendran R, Skor H, Shi S, Lewis C, Fuhrman S.
Allosteric inhibitors of hepatitis C polymerase: discovery of potent and orally bioavailable carbon-linked... Li H, Linton A, Tatlock J, Gonzalez J, Borchardt A, Abreo M, Jewell T, Patel L, Drowns M, Ludlum S, Goble M, Yang M, Blazel J, Rahavendran R, Skor H, Shi S, Lewis C, Fuhrman S.: Allosteric inhibitors of hepatitis C polymerase: discovery of potent and orally bioavailable carbon-linked dihydropyrones. J Med Chem, Volume 50 (17), 2007 J Med Chem 2007 17658778
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Li J, Bronk BS, Dirlam JP, Blize AE, Bertinato P, Jaynes...
Li J, Bronk BS, Dirlam JP, Blize AE, Bertinato P, Jaynes BH, Hickman A, Miskell C, Pillai UA, Tibbitts JS, Haven ML, Kolosko NL, Barry CJ, Manion TB.
In vitro and in vivo profile of 5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid... Li J, Bronk BS, Dirlam JP, Blize AE, Bertinato P, Jaynes BH, Hickman A, Miskell C, Pillai UA, Tibbitts JS, Haven ML, Kolosko NL, Barry CJ, Manion TB.: In vitro and in vivo profile of 5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid benzylmethyl carbamoylamide (dirlotapide), a novel potent MTP inhibitor for obesity. Bioorg Med Chem Lett, Volume 17 (7), 2007 Bioorg Med Chem Lett 2007 17276061
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Li J, Volpe DA, Wang Y, Zhang W, Bode C, Owen A, Hidalgo IJ.
Li J, Volpe DA, Wang Y, Zhang W, Bode C, Owen A, Hidalgo IJ.
Use of transporter knockdown Caco-2 cells to investigate the in vitro efflux of statin drugs. Li J, Volpe DA, Wang Y, Zhang W, Bode C, Owen A, Hidalgo IJ.: Use of transporter knockdown Caco-2 cells to investigate the in vitro efflux of statin drugs. Drug Metab Dispos, Volume 39 (7), 2011 Drug Metab Dispos 2011 21447733
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Li L, Dwivedi M, Erwin N, Möbitz S, Nussbaumer P, Winter R.
Li L, Dwivedi M, Erwin N, Möbitz S, Nussbaumer P, Winter R.
Interaction of KRas4B protein with C6-ceramide containing lipid model membranes. Li L, Dwivedi M, Erwin N, Möbitz S, Nussbaumer P, Winter R.: Interaction of KRas4B protein with C6-ceramide containing lipid model membranes. Biochim Biophys Acta Biomembr, Volume 1860 (5), 1008-1014, 2018 Biochim Biophys Acta Biomembr 2018 29357287
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Li LS, Zhou Y, Murphy DE, Stankovic N, Zhao J, Dragovich...
Li LS, Zhou Y, Murphy DE, Stankovic N, Zhao J, Dragovich PS, Bertolini T, Sun Z, Ayida B, Tran CV, Ruebsam F, Webber SE, Shah AM, Tsan M, Showalter RE, Patel R, Lebrun LA, Bartkowski DM, Nolan TG, Norris DA, Kamran R, Brooks J, Sergeeva MV, Kirkovsky L, Zhao Q, Kissinger CR.
Novel HCV NS5B polymerase inhibitors derived from... Li LS, Zhou Y, Murphy DE, Stankovic N, Zhao J, Dragovich PS, Bertolini T, Sun Z, Ayida B, Tran CV, Ruebsam F, Webber SE, Shah AM, Tsan M, Showalter RE, Patel R, Lebrun LA, Bartkowski DM, Nolan TG, Norris DA, Kamran R, Brooks J, Sergeeva MV, Kirkovsky L, Zhao Q, Kissinger CR.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments. Bioorg Med Chem Lett, Volume 18 (11), 2008 Bioorg Med Chem Lett 2008 18457949
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Li Q, Chen Y, Xing S, Liao Q, Xiong B, Wang Y, Lu W, He S,...
Li Q, Chen Y, Xing S, Liao Q, Xiong B, Wang Y, Lu W, He S, Feng F, Liu W, Chen Y, Sun H.
Highly Potent and Selective Butyrylcholinesterase Inhibitors for Cognitive Improvement and Neuroprotection. Li Q, Chen Y, Xing S, Liao Q, Xiong B, Wang Y, Lu W, He S, Feng F, Liu W, Chen Y, Sun H.: Highly Potent and Selective Butyrylcholinesterase Inhibitors for Cognitive Improvement and Neuroprotection. J Med Chem, Volume 64 (10), 2021 J Med Chem 2021 33973470
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Li Q, Xing S, Chen Y, Liao Q, Xiong B, He S, Lu W, Liu Y,...
Li Q, Xing S, Chen Y, Liao Q, Xiong B, He S, Lu W, Liu Y, Yang H, Li Q, Feng F, Liu W, Chen Y, Sun H.
Discovery and Biological Evaluation of a Novel Highly Potent Selective Butyrylcholinsterase Inhibitor. Li Q, Xing S, Chen Y, Liao Q, Xiong B, He S, Lu W, Liu Y, Yang H, Li Q, Feng F, Liu W, Chen Y, Sun H.: Discovery and Biological Evaluation of a Novel Highly Potent Selective Butyrylcholinsterase Inhibitor. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32787113
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Li S, Hu PC, Malmstadt N.
Li S, Hu PC, Malmstadt N.
Imaging molecular transport across lipid bilayers. Li S, Hu PC, Malmstadt N.: Imaging molecular transport across lipid bilayers. Biophys J, Volume 101 (3), 2011 Biophys J 2011 21806938
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Li X, Payne DT, Ampolu B, Bland N, Brown JT, Dutton MJ,...
Li X, Payne DT, Ampolu B, Bland N, Brown JT, Dutton MJ, Fitton CA, Gulliver A, Hale L, Hamza D, Jones G, Lane R, Leach AG, Male L, Merisor EG, Morton MJ, Quy AS, Roberts R, Scarll R, Schulz-Utermoehl T, Stankovic T, Stevenson B, Fossey JS, Agathanggelou A.
Derivatisation of parthenolide to address chemoresistant chronic lymphocytic leukaemia. Li X, Payne DT, Ampolu B, Bland N, Brown JT, Dutton MJ, Fitton CA, Gulliver A, Hale L, Hamza D, Jones G, Lane R, Leach AG, Male L, Merisor EG, Morton MJ, Quy AS, Roberts R, Scarll R, Schulz-Utermoehl T, Stankovic T, Stevenson B, Fossey JS, Agathanggelou A.: Derivatisation of parthenolide to address chemoresistant chronic lymphocytic leukaemia. Medchemcomm, Volume 10 (8), 2019 Medchemcomm 2019 32952998
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Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F,...
Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.
Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016 J Med Chem 2016 27552582
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Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.
Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.
Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's... Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016 Bioorg Med Chem 2016 27079124
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Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z,...
Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.
Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition,... Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017 Eur J Med Chem 2017 27951485
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Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang...
Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.
Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as... Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017 Bioorg Med Chem 2017 27923535
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Li Y, Shi Z, Chen L, Zheng S, Li S, Xu B, Liu Z, Liu J,...
Li Y, Shi Z, Chen L, Zheng S, Li S, Xu B, Liu Z, Liu J, Deng C, Ye F.
Discovery of a Potent, Selective Renal Sodium-Dependent Glucose Cotransporter 2 (SGLT2) Inhibitor (HSK0935) for the... Li Y, Shi Z, Chen L, Zheng S, Li S, Xu B, Liu Z, Liu J, Deng C, Ye F.: Discovery of a Potent, Selective Renal Sodium-Dependent Glucose Cotransporter 2 (SGLT2) Inhibitor (HSK0935) for the Treatment of Type 2 Diabetes. J Med Chem, Volume 60 (10), 2017 J Med Chem 2017 28447791
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Li YL, Shi E, Burns D, Li Y, Covington MB, Pan M, Scherle...
Li YL, Shi E, Burns D, Li Y, Covington MB, Pan M, Scherle P, Friedman S, Metcalf B, Yao W.
Discovery of novel selective HER-2 sheddase inhibitors through optimization of P1 moiety. Li YL, Shi E, Burns D, Li Y, Covington MB, Pan M, Scherle P, Friedman S, Metcalf B, Yao W.: Discovery of novel selective HER-2 sheddase inhibitors through optimization of P1 moiety. Bioorg Med Chem Lett, Volume 19 (17), 2009 Bioorg Med Chem Lett 2009 19635666
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Li Z, Xu X, Deng L, Liao R, Liang R, Zhang B, Zhang L.
Li Z, Xu X, Deng L, Liao R, Liang R, Zhang B, Zhang L.
Design, synthesis and biological evaluation of nitric oxide releasing derivatives of dapagliflozin as potential... Li Z, Xu X, Deng L, Liao R, Liang R, Zhang B, Zhang L.: Design, synthesis and biological evaluation of nitric oxide releasing derivatives of dapagliflozin as potential anti-diabetic and anti-thrombotic agents. Bioorg Med Chem, Volume 26 (14), 2018 Bioorg Med Chem 2018 29954682
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Liang J, van Abbema A, Balazs M, Barrett K, Berezhkovsky L,...
Liang J, van Abbema A, Balazs M, Barrett K, Berezhkovsky L, Blair W, Chang C, Delarosa D, DeVoss J, Driscoll J, Eigenbrot C, Ghilardi N, Gibbons P, Halladay J, Johnson A, Kohli PB, Lai Y, Liu Y, Lyssikatos J, Mantik P, Menghrajani K, Murray J, Peng I, Sambrone A, Shia S, Shin Y, Smith J, Sohn S, Tsui V, Ultsch M, Wu LC, Xiao Y, Yang W, Young J, Zhang B, Zhu BY, Magnuson S.
Lead optimization of a 4-aminopyridine benzamide scaffold to identify potent, selective, and orally bioavailable TYK2... Liang J, van Abbema A, Balazs M, Barrett K, Berezhkovsky L, Blair W, Chang C, Delarosa D, DeVoss J, Driscoll J, Eigenbrot C, Ghilardi N, Gibbons P, Halladay J, Johnson A, Kohli PB, Lai Y, Liu Y, Lyssikatos J, Mantik P, Menghrajani K, Murray J, Peng I, Sambrone A, Shia S, Shin Y, Smith J, Sohn S, Tsui V, Ultsch M, Wu LC, Xiao Y, Yang W, Young J, Zhang B, Zhu BY, Magnuson S.: Lead optimization of a 4-aminopyridine benzamide scaffold to identify potent, selective, and orally bioavailable TYK2 inhibitors. J Med Chem, Volume 56 (11), 2013 J Med Chem 2013 23668484
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Liang J, Van Abbema A, Balazs M, Barrett K, Berezhkovsky L,...
Liang J, Van Abbema A, Balazs M, Barrett K, Berezhkovsky L, Blair WS, Chang C, Delarosa D, DeVoss J, Driscoll J, Eigenbrot C, Goodacre S, Ghilardi N, MacLeod C, Johnson A, Bir Kohli P, Lai Y, Lin Z, Mantik P, Menghrajani K, Nguyen H, Peng I, Sambrone A, Shia S, Smith J, Sohn S, Tsui V, Ultsch M, Williams K, Wu LC, Yang W, Zhang B, Magnuson S.
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate... Liang J, Van Abbema A, Balazs M, Barrett K, Berezhkovsky L, Blair WS, Chang C, Delarosa D, DeVoss J, Driscoll J, Eigenbrot C, Goodacre S, Ghilardi N, MacLeod C, Johnson A, Bir Kohli P, Lai Y, Lin Z, Mantik P, Menghrajani K, Nguyen H, Peng I, Sambrone A, Shia S, Smith J, Sohn S, Tsui V, Ultsch M, Williams K, Wu LC, Yang W, Zhang B, Magnuson S.: Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model. Bioorg Med Chem Lett, Volume 27 (18), 2017 Bioorg Med Chem Lett 2017 28830649
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Liang J, Zbieg JR, Blake RA, Chang JH, Daly S, DiPasquale...
Liang J, Zbieg JR, Blake RA, Chang JH, Daly S, DiPasquale AG, Friedman LS, Gelzleichter T, Gill M, Giltnane JM, Goodacre S, Guan J, Hartman SJ, Ingalla ER, Kategaya L, Kiefer JR, Kleinheinz T, Labadie SS, Lai T, Li J, Liao J, Liu Z, Mody V, McLean N, Metcalfe C, Nannini MA, Oeh J, O'Rourke MG, Ortwine DF, Ran Y, Ray NC, Roussel F, Sambrone A, Sampath D, Schutt LK, Vinogradova M, Wai J, Wang T, Wertz IE, White JR, Yeap SK, Young A, Zhang B, Zheng X, Zhou W, Zhong Y, Wang X.
GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an... Liang J, Zbieg JR, Blake RA, Chang JH, Daly S, DiPasquale AG, Friedman LS, Gelzleichter T, Gill M, Giltnane JM, Goodacre S, Guan J, Hartman SJ, Ingalla ER, Kategaya L, Kiefer JR, Kleinheinz T, Labadie SS, Lai T, Li J, Liao J, Liu Z, Mody V, McLean N, Metcalfe C, Nannini MA, Oeh J, O'Rourke MG, Ortwine DF, Ran Y, Ray NC, Roussel F, Sambrone A, Sampath D, Schutt LK, Vinogradova M, Wai J, Wang T, Wertz IE, White JR, Yeap SK, Young A, Zhang B, Zheng X, Zhou W, Zhong Y, Wang X.: GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer. J Med Chem, Volume 64 (16), 2021 J Med Chem 2021 34251202
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Liang M, Tarr TB, Bravo-Altamirano K, Valdomir G, Rensch G,...
Liang M, Tarr TB, Bravo-Altamirano K, Valdomir G, Rensch G, Swanson L, DeStefino NR, Mazzarisi CM, Olszewski RA, Wilson GM, Meriney SD, Wipf P.
Synthesis and biological evaluation of a selective N- and p/q-type calcium channel agonist. Liang M, Tarr TB, Bravo-Altamirano K, Valdomir G, Rensch G, Swanson L, DeStefino NR, Mazzarisi CM, Olszewski RA, Wilson GM, Meriney SD, Wipf P.: Synthesis and biological evaluation of a selective N- and p/q-type calcium channel agonist. ACS Med Chem Lett, Volume 3 (12), 2012 ACS Med Chem Lett 2012 24936234
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
Liang Y, Arakawa K, Ueta K, Matsushita Y, Kuriyama C,...
Liang Y, Arakawa K, Ueta K, Matsushita Y, Kuriyama C, Martin T, Du F, Liu Y, Xu J, Conway B, Conway J, Polidori D, Ways K, Demarest K.
Effect of canagliflozin on renal threshold for glucose, glycemia, and body weight in normal and diabetic animal models. Liang Y, Arakawa K, Ueta K, Matsushita Y, Kuriyama C, Martin T, Du F, Liu Y, Xu J, Conway B, Conway J, Polidori D, Ways K, Demarest K.: Effect of canagliflozin on renal threshold for glucose, glycemia, and body weight in normal and diabetic animal models. PLoS One, Volume 7 (2), 2012 PLoS One 2012 22355316
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Liao S, Deng H, Huang S, Yang J, Wang S, Yin B, Zheng T,...
Liao S, Deng H, Huang S, Yang J, Wang S, Yin B, Zheng T, Zhang D, Liu J, Gao G, Ma J, Deng Z.
Design, synthesis and evaluation of novel 5,6,7-trimethoxyflavone-6-chlorotacrine hybrids as potential multifunctional... Liao S, Deng H, Huang S, Yang J, Wang S, Yin B, Zheng T, Zhang D, Liu J, Gao G, Ma J, Deng Z.: Design, synthesis and evaluation of novel 5,6,7-trimethoxyflavone-6-chlorotacrine hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (7), 2015 Bioorg Med Chem Lett 2015 25724825
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Liao Y, Böttcher H, Harting J, Greiner H, van Amsterdam C,...
Liao Y, Böttcher H, Harting J, Greiner H, van Amsterdam C, Cremers T, Sundell S, März J, Rautenberg W, Wikström H.
New selective and potent 5-HT(1B/1D) antagonists: chemistry and pharmacological evaluation of N-piperazinylphenyl... Liao Y, Böttcher H, Harting J, Greiner H, van Amsterdam C, Cremers T, Sundell S, März J, Rautenberg W, Wikström H.: New selective and potent 5-HT(1B/1D) antagonists: chemistry and pharmacological evaluation of N-piperazinylphenyl biphenylcarboxamides and biphenylsulfonamides. J Med Chem, Volume 43 (3), 2000 J Med Chem 2000 10669578
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt...
Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.
Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of... Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006 J Med Chem 2006 16480263
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Liew KF, Chan KL, Lee CY.
Liew KF, Chan KL, Lee CY.
Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like... Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015 Eur J Med Chem 2015 25768702
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Lim CJ, Kim JY, Lee BH, Oh KS, Yi KY.
Lim CJ, Kim JY, Lee BH, Oh KS, Yi KY.
Synthesis and SAR study of pyrrolo[3,4-b]pyridin-7(6H)-one derivatives as melanin concentrating hormone receptor 1... Lim CJ, Kim JY, Lee BH, Oh KS, Yi KY.: Synthesis and SAR study of pyrrolo[3,4-b]pyridin-7(6H)-one derivatives as melanin concentrating hormone receptor 1 (MCH-R1) antagonists. Bioorg Med Chem Lett, Volume 23 (6), 2013 Bioorg Med Chem Lett 2013 23411080
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Lim CJ, Oh SA, Lee BH, Oh KS, Yi KY.
Lim CJ, Oh SA, Lee BH, Oh KS, Yi KY.
Synthesis and SAR of thieno[3,2-b]pyridinyl urea derivatives as urotensin-II receptor antagonists. Lim CJ, Oh SA, Lee BH, Oh KS, Yi KY.: Synthesis and SAR of thieno[3,2-b]pyridinyl urea derivatives as urotensin-II receptor antagonists. Bioorg Med Chem Lett, Volume 24 (24), 2014 Bioorg Med Chem Lett 2014 25452001
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Lim CS, Kim HJ, Lee JH, Tian YS, Kim CH, Kim HM, Joo T, Cho...
Lim CS, Kim HJ, Lee JH, Tian YS, Kim CH, Kim HM, Joo T, Cho BR.
A two-photon turn-on probe for lipid rafts with minimum internalization. Lim CS, Kim HJ, Lee JH, Tian YS, Kim CH, Kim HM, Joo T, Cho BR.: A two-photon turn-on probe for lipid rafts with minimum internalization. Chembiochem, Volume 12 (3), 392-395, 2011 Chembiochem 2011 21290540
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Lim J, Altman MD, Baker J, Brubaker JD, Chen H, Chen Y,...
Lim J, Altman MD, Baker J, Brubaker JD, Chen H, Chen Y, Fischmann T, Gibeau C, Kleinschek MA, Leccese E, Lesburg C, Maclean JK, Moy LY, Mulrooney EF, Presland J, Rakhilina L, Smith GF, Steinhuebel D, Yang R.
Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4. Lim J, Altman MD, Baker J, Brubaker JD, Chen H, Chen Y, Fischmann T, Gibeau C, Kleinschek MA, Leccese E, Lesburg C, Maclean JK, Moy LY, Mulrooney EF, Presland J, Rakhilina L, Smith GF, Steinhuebel D, Yang R.: Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4. ACS Med Chem Lett, Volume 6 (6), 2015 ACS Med Chem Lett 2015 26101574
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Lim J, Altman MD, Baker J, Brubaker JD, Chen H, Chen Y,...
Lim J, Altman MD, Baker J, Brubaker JD, Chen H, Chen Y, Kleinschek MA, Li C, Liu D, Maclean JK, Mulrooney EF, Presland J, Rakhilina L, Smith GF, Yang R.
Identification of N-(1H-pyrazol-4-yl)carboxamide inhibitors of interleukin-1 receptor associated kinase 4: Bicyclic... Lim J, Altman MD, Baker J, Brubaker JD, Chen H, Chen Y, Kleinschek MA, Li C, Liu D, Maclean JK, Mulrooney EF, Presland J, Rakhilina L, Smith GF, Yang R.: Identification of N-(1H-pyrazol-4-yl)carboxamide inhibitors of interleukin-1 receptor associated kinase 4: Bicyclic core modifications. Bioorg Med Chem Lett, Volume 25 (22), 2015 Bioorg Med Chem Lett 2015 26403930
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Lim J, Stock N, Pracitto R, Boueres JK, Munoz B, Chaudhary...
Lim J, Stock N, Pracitto R, Boueres JK, Munoz B, Chaudhary A, Santini AM, Orr K, Schaffhauser H, Bezverkov RE, Aiyar J, Venkatraman S.
N-Acridin-9-yl-butane-1,4-diamine derivatives: high-affinity ligands of the alpha2delta subunit of voltage gated... Lim J, Stock N, Pracitto R, Boueres JK, Munoz B, Chaudhary A, Santini AM, Orr K, Schaffhauser H, Bezverkov RE, Aiyar J, Venkatraman S.: N-Acridin-9-yl-butane-1,4-diamine derivatives: high-affinity ligands of the alpha2delta subunit of voltage gated calcium channels. Bioorg Med Chem Lett, Volume 14 (8), 2004 Bioorg Med Chem Lett 2004 15050626
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lin H, Qiao Y, Yang H, Li Q, Chen Y, Qu W, Liu W, Feng F,...
Lin H, Qiao Y, Yang H, Li Q, Chen Y, Qu W, Liu W, Feng F, Sun H.
Design and evaluation of Nrf2 activators with 1,3,4-oxa/thiadiazole core as neuro-protective agents against oxidative... Lin H, Qiao Y, Yang H, Li Q, Chen Y, Qu W, Liu W, Feng F, Sun H.: Design and evaluation of Nrf2 activators with 1,3,4-oxa/thiadiazole core as neuro-protective agents against oxidative stress in PC-12 cells. Bioorg Med Chem Lett, Volume 30 (2), 2020 Bioorg Med Chem Lett 2020 31859162
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Lin J, Lu W, Caravella JA, Campbell AM, Diebold RB,...
Lin J, Lu W, Caravella JA, Campbell AM, Diebold RB, Ericsson A, Fritzen E, Gustafson GR, Lancia DR, Shelekhin T, Wang Z, Castro J, Clarke A, Gotur D, Josephine HR, Katz M, Diep H, Kershaw M, Yao L, Kauffman G, Hubbs SE, Luke GP, Toms AV, Wang L, Bair KW, Barr KJ, Dinsmore C, Walker D, Ashwell S.
Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate... Lin J, Lu W, Caravella JA, Campbell AM, Diebold RB, Ericsson A, Fritzen E, Gustafson GR, Lancia DR, Shelekhin T, Wang Z, Castro J, Clarke A, Gotur D, Josephine HR, Katz M, Diep H, Kershaw M, Yao L, Kauffman G, Hubbs SE, Luke GP, Toms AV, Wang L, Bair KW, Barr KJ, Dinsmore C, Walker D, Ashwell S.: Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors. J Med Chem, Volume 62 (14), 2019 J Med Chem 2019 31199148
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Lin RY, Vera JC, Chaganti RS, Golde DW.
Lin RY, Vera JC, Chaganti RS, Golde DW.
Human monocarboxylate transporter 2 (MCT2) is a high affinity pyruvate transporter. Lin RY, Vera JC, Chaganti RS, Golde DW.: Human monocarboxylate transporter 2 (MCT2) is a high affinity pyruvate transporter. J Biol Chem, Volume 273 (44), 1998 J Biol Chem 1998 9786900
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Lin S, Jin J, Liu Y, Tian H, Zhang Y, Fu R, Zhang J, Wang...
Lin S, Jin J, Liu Y, Tian H, Zhang Y, Fu R, Zhang J, Wang M, Du T, Ji M, Wu D, Zhang K, Sheng L, Li Y, Chen X, Xu H.
Discovery of 4-Methylquinazoline Based PI3K Inhibitors for the Potential Treatment of Idiopathic Pulmonary Fibrosis. Lin S, Jin J, Liu Y, Tian H, Zhang Y, Fu R, Zhang J, Wang M, Du T, Ji M, Wu D, Zhang K, Sheng L, Li Y, Chen X, Xu H.: Discovery of 4-Methylquinazoline Based PI3K Inhibitors for the Potential Treatment of Idiopathic Pulmonary Fibrosis. J Med Chem, Volume 62 (19), 2019 J Med Chem 2019 31335136
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Lin S, Wang C, Ji M, Wu D, Lv Y, Sheng L, Han F, Dong Y,...
Lin S, Wang C, Ji M, Wu D, Lv Y, Sheng L, Han F, Dong Y, Zhang K, Yang Y, Li Y, Chen X, Xu H.
Discovery of new thienopyrimidine derivatives as potent and orally efficacious phosphoinositide 3-kinase inhibitors. Lin S, Wang C, Ji M, Wu D, Lv Y, Sheng L, Han F, Dong Y, Zhang K, Yang Y, Li Y, Chen X, Xu H.: Discovery of new thienopyrimidine derivatives as potent and orally efficacious phosphoinositide 3-kinase inhibitors. Bioorg Med Chem, Volume 26 (3), 2018 Bioorg Med Chem 2018 29305298
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Lin TS, Liw YW, Song JS, Hsieh TC, Yeh HW, Hsu LC, Lin CJ,...
Lin TS, Liw YW, Song JS, Hsieh TC, Yeh HW, Hsu LC, Lin CJ, Wu SH, Liang PH.
Synthesis and biological evaluation of novel C-aryl d-glucofuranosides as sodium-dependent glucose co-transporter 2... Lin TS, Liw YW, Song JS, Hsieh TC, Yeh HW, Hsu LC, Lin CJ, Wu SH, Liang PH.: Synthesis and biological evaluation of novel C-aryl d-glucofuranosides as sodium-dependent glucose co-transporter 2 inhibitors. Bioorg Med Chem, Volume 21 (21), 2013 Bioorg Med Chem 2013 24071445
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lin X, Shi H, Zhang W, Qiu Z, Zhou Z, Dey F, Zhong S, Qiu...
Lin X, Shi H, Zhang W, Qiu Z, Zhou Z, Dey F, Zhong S, Qiu H, Xie J, Zhou X, Yang G, Tang G, Shen HC, Zhu W.
A New Approach of Mitigating CYP3A4 Induction Led to the Discovery of Potent Hepatitis B Virus (HBV) Capsid Inhibitor... Lin X, Shi H, Zhang W, Qiu Z, Zhou Z, Dey F, Zhong S, Qiu H, Xie J, Zhou X, Yang G, Tang G, Shen HC, Zhu W.: A New Approach of Mitigating CYP3A4 Induction Led to the Discovery of Potent Hepatitis B Virus (HBV) Capsid Inhibitor with Optimal ADMET Profiles. J Med Chem, Volume 62 (22), 2019 J Med Chem 2019 31689116
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Lin X, Skolnik S, Chen X, Wang J.
Lin X, Skolnik S, Chen X, Wang J.
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2... Lin X, Skolnik S, Chen X, Wang J.: Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model. Drug Metab Dispos, Volume 39 (2), 2011 Drug Metab Dispos 2011 21051535
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Lin Z, Marett L, Hughen RW, Flores M, Forteza I, Ammon MA,...
Lin Z, Marett L, Hughen RW, Flores M, Forteza I, Ammon MA, Concepcion GP, Espino S, Olivera BM, Rosenberg G, Haygood MG, Light AR, Schmidt EW.
Neuroactive diol and acyloin metabolites from cone snail-associated bacteria. Lin Z, Marett L, Hughen RW, Flores M, Forteza I, Ammon MA, Concepcion GP, Espino S, Olivera BM, Rosenberg G, Haygood MG, Light AR, Schmidt EW.: Neuroactive diol and acyloin metabolites from cone snail-associated bacteria. Bioorg Med Chem Lett, Volume 23 (17), 2013 Bioorg Med Chem Lett 2013 23880542
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Linciano P, De Filippis B, Ammazzalorso A, Amoia P, Cilurzo...
Linciano P, De Filippis B, Ammazzalorso A, Amoia P, Cilurzo F, Fantacuzzi M, Giampietro L, Maccallini C, Petit C, Amoroso R.
Druggability profile of stilbene-derived PPAR agonists: determination of physicochemical properties and PAMPA study. Linciano P, De Filippis B, Ammazzalorso A, Amoia P, Cilurzo F, Fantacuzzi M, Giampietro L, Maccallini C, Petit C, Amoroso R.: Druggability profile of stilbene-derived PPAR agonists: determination of physicochemical properties and PAMPA study. Medchemcomm, Volume 10 (11), 2019 Medchemcomm 2019 32206235
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Ling T, Tran M, González MA, Gautam LN, Connelly M, Wood...
Ling T, Tran M, González MA, Gautam LN, Connelly M, Wood RK, Fatima I, Miranda-Carboni G, Rivas F.
(+)-Dehydroabietylamine derivatives target triple-negative breast cancer. Ling T, Tran M, González MA, Gautam LN, Connelly M, Wood RK, Fatima I, Miranda-Carboni G, Rivas F.: (+)-Dehydroabietylamine derivatives target triple-negative breast cancer. Eur J Med Chem, Volume 102, 2015 Eur J Med Chem 2015 26241873
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Lingam VS, Dahale DH, Rathi VE, Shingote YB, Thakur RR,...
Lingam VS, Dahale DH, Rathi VE, Shingote YB, Thakur RR, Mindhe AS, Kummari S, Khairatkar-Joshi N, Bajpai M, Shah DM, Sapalya RS, Gullapalli S, Gupta PK, Gudi GS, Jadhav SB, Pattem R, Thomas A.
Design, Synthesis, and Pharmacological Evaluation of 5,6-Disubstituted Pyridin-2(1H)-one Derivatives as... Lingam VS, Dahale DH, Rathi VE, Shingote YB, Thakur RR, Mindhe AS, Kummari S, Khairatkar-Joshi N, Bajpai M, Shah DM, Sapalya RS, Gullapalli S, Gupta PK, Gudi GS, Jadhav SB, Pattem R, Thomas A.: Design, Synthesis, and Pharmacological Evaluation of 5,6-Disubstituted Pyridin-2(1H)-one Derivatives as Phosphodiesterase 10A (PDE10A) Antagonists. J Med Chem, Volume 58 (20), 2015 J Med Chem 2015 26421921
Total substances: 0
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Liosi ME, Ippolito JA, Henry SP, Krimmer SG, Newton AS,...
Liosi ME, Ippolito JA, Henry SP, Krimmer SG, Newton AS, Cutrona KJ, Olivarez RA, Mohanty J, Schlessinger J, Jorgensen WL.
Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands. Liosi ME, Ippolito JA, Henry SP, Krimmer SG, Newton AS, Cutrona KJ, Olivarez RA, Mohanty J, Schlessinger J, Jorgensen WL.: Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands. J Med Chem, Volume 65 (12), 2022 J Med Chem 2022 35653642
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Lippa B, Kauffman GS, Arcari J, Kwan T, Chen J, Hungerford...
Lippa B, Kauffman GS, Arcari J, Kwan T, Chen J, Hungerford W, Bhattacharya S, Zhao X, Williams C, Xiao J, Pustilnik L, Su C, Moyer JD, Ma L, Campbell M, Steyn S.
The discovery of highly selective erbB2 (Her2) inhibitors for the treatment of cancer. Lippa B, Kauffman GS, Arcari J, Kwan T, Chen J, Hungerford W, Bhattacharya S, Zhao X, Williams C, Xiao J, Pustilnik L, Su C, Moyer JD, Ma L, Campbell M, Steyn S.: The discovery of highly selective erbB2 (Her2) inhibitors for the treatment of cancer. Bioorg Med Chem Lett, Volume 17 (11), 2007 Bioorg Med Chem Lett 2007 17398092
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Liu C, Han J, Marcelina O, Nugrahaningrum DA, Huang S, Zou...
Liu C, Han J, Marcelina O, Nugrahaningrum DA, Huang S, Zou M, Wang G, Miyagishi M, He Y, Wu S, Kasim V.
Discovery of Salidroside-Derivated Glycoside Analogues as Novel Angiogenesis Agents to Treat Diabetic Hind Limb... Liu C, Han J, Marcelina O, Nugrahaningrum DA, Huang S, Zou M, Wang G, Miyagishi M, He Y, Wu S, Kasim V.: Discovery of Salidroside-Derivated Glycoside Analogues as Novel Angiogenesis Agents to Treat Diabetic Hind Limb Ischemia. J Med Chem, Volume 65 (1), 2022 J Med Chem 2022 34939794
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Liu C, Jalagam PR, Feng J, Wang W, Raja T, Sura MR,...
Liu C, Jalagam PR, Feng J, Wang W, Raja T, Sura MR, Manepalli RKVLP, Aliphedi BR, Medavarapu S, Nair SK, Muthalagu V, Natesan R, Gupta A, Beno B, Panda M, Ghosh K, Shukla JK, Sale H, Haldar P, Kalidindi N, Shah D, Patel D, Mathur A, Ellsworth BA, Cheng D, Regueiro-Ren A.
Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and... Liu C, Jalagam PR, Feng J, Wang W, Raja T, Sura MR, Manepalli RKVLP, Aliphedi BR, Medavarapu S, Nair SK, Muthalagu V, Natesan R, Gupta A, Beno B, Panda M, Ghosh K, Shukla JK, Sale H, Haldar P, Kalidindi N, Shah D, Patel D, Mathur A, Ellsworth BA, Cheng D, Regueiro-Ren A.: Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3. J Med Chem, Volume 65 (16), 2022 J Med Chem 2022 35969688
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Liu C, Lin J, Langevine C, Smith D, Li J, Tokarski JS, Khan...
Liu C, Lin J, Langevine C, Smith D, Li J, Tokarski JS, Khan J, Ruzanov M, Strnad J, Zupa-Fernandez A, Cheng L, Gillooly KM, Shuster D, Zhang Y, Thankappan A, McIntyre KW, Chaudhry C, Elzinga PA, Chiney M, Chimalakonda A, Lombardo LJ, Macor JE, Carter PH, Burke JR, Weinstein DS.
Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2. Liu C, Lin J, Langevine C, Smith D, Li J, Tokarski JS, Khan J, Ruzanov M, Strnad J, Zupa-Fernandez A, Cheng L, Gillooly KM, Shuster D, Zhang Y, Thankappan A, McIntyre KW, Chaudhry C, Elzinga PA, Chiney M, Chimalakonda A, Lombardo LJ, Macor JE, Carter PH, Burke JR, Weinstein DS.: Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2. J Med Chem, Volume 64 (1), 2021 J Med Chem 2021 33370104
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Liu C, Lin J, Moslin R, Tokarski JS, Muckelbauer J, Chang...
Liu C, Lin J, Moslin R, Tokarski JS, Muckelbauer J, Chang C, Tredup J, Xie D, Park H, Li P, Wu DR, Strnad J, Zupa-Fernandez A, Cheng L, Chaudhry C, Chen J, Chen C, Sun H, Elzinga P, D'arienzo C, Gillooly K, Taylor TL, McIntyre KW, Salter-Cid L, Lombardo LJ, Carter PH, Aranibar N, Burke JR, Weinstein DS.
Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2... Liu C, Lin J, Moslin R, Tokarski JS, Muckelbauer J, Chang C, Tredup J, Xie D, Park H, Li P, Wu DR, Strnad J, Zupa-Fernandez A, Cheng L, Chaudhry C, Chen J, Chen C, Sun H, Elzinga P, D'arienzo C, Gillooly K, Taylor TL, McIntyre KW, Salter-Cid L, Lombardo LJ, Carter PH, Aranibar N, Burke JR, Weinstein DS.: Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors. ACS Med Chem Lett, Volume 10 (3), 2019 ACS Med Chem Lett 2019 30891145
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Liu C, Lin J, Wrobleski ST, Lin S, Hynes J, Wu H, Dyckman...
Liu C, Lin J, Wrobleski ST, Lin S, Hynes J, Wu H, Dyckman AJ, Li T, Wityak J, Gillooly KM, Pitt S, Shen DR, Zhang RF, McIntyre KW, Salter-Cid L, Shuster DJ, Zhang H, Marathe PH, Doweyko AM, Sack JS, Kiefer SE, Kish KF, Newitt JA, McKinnon M, Dodd JH, Barrish JC, Schieven GL, Leftheris K.
Discovery of... Liu C, Lin J, Wrobleski ST, Lin S, Hynes J, Wu H, Dyckman AJ, Li T, Wityak J, Gillooly KM, Pitt S, Shen DR, Zhang RF, McIntyre KW, Salter-Cid L, Shuster DJ, Zhang H, Marathe PH, Doweyko AM, Sack JS, Kiefer SE, Kish KF, Newitt JA, McKinnon M, Dodd JH, Barrish JC, Schieven GL, Leftheris K.: Discovery of 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methyl-N-propylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide (BMS-582949), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases. J Med Chem, Volume 53 (18), 2010 J Med Chem 2010 20804198
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Liu C, Wrobleski ST, Lin J, Ahmed G, Metzger A, Wityak J,...
Liu C, Wrobleski ST, Lin J, Ahmed G, Metzger A, Wityak J, Gillooly KM, Shuster DJ, McIntyre KW, Pitt S, Shen DR, Zhang RF, Zhang H, Doweyko AM, Diller D, Henderson I, Barrish JC, Dodd JH, Schieven GL, Leftheris K.
5-Cyanopyrimidine derivatives as a novel class of potent, selective, and orally active inhibitors of p38alpha MAP... Liu C, Wrobleski ST, Lin J, Ahmed G, Metzger A, Wityak J, Gillooly KM, Shuster DJ, McIntyre KW, Pitt S, Shen DR, Zhang RF, Zhang H, Doweyko AM, Diller D, Henderson I, Barrish JC, Dodd JH, Schieven GL, Leftheris K.: 5-Cyanopyrimidine derivatives as a novel class of potent, selective, and orally active inhibitors of p38alpha MAP kinase. J Med Chem, Volume 48 (20), 2005 J Med Chem 2005 16190753
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Liu H, Altenbach RJ, Carr TL, Chandran P, Hsieh GC, Lewis...
Liu H, Altenbach RJ, Carr TL, Chandran P, Hsieh GC, Lewis LG, Manelli AM, Milicic I, Marsh KC, Miller TR, Strakhova MI, Vortherms TA, Wakefield BD, Wetter JM, Witte DG, Honore P, Esbenshade TA, Brioni JD, Cowart MD.
cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R... Liu H, Altenbach RJ, Carr TL, Chandran P, Hsieh GC, Lewis LG, Manelli AM, Milicic I, Marsh KC, Miller TR, Strakhova MI, Vortherms TA, Wakefield BD, Wetter JM, Witte DG, Honore P, Esbenshade TA, Brioni JD, Cowart MD.: cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), a new histamine H4R antagonist that blocks pain responses against carrageenan-induced hyperalgesia. J Med Chem, Volume 51 (22), 2008 J Med Chem 2008 18983139
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Liu H, Dai X, He S, Brockunier L, Marcantonio K, Ludmerer...
Liu H, Dai X, He S, Brockunier L, Marcantonio K, Ludmerer SW, Li F, Feng KI, Nargund RP, Palani A.
Design and evaluation of novel tetracyclic benzofurans as palm site allosteric inhibitors of HCV NS5B polymerase. Liu H, Dai X, He S, Brockunier L, Marcantonio K, Ludmerer SW, Li F, Feng KI, Nargund RP, Palani A.: Design and evaluation of novel tetracyclic benzofurans as palm site allosteric inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 29 (24), 2019 Bioorg Med Chem Lett 2019 30389294
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Liu H, Kuhn C, Feru F, Jacques SL, Deshmukh GD, Ye P,...
Liu H, Kuhn C, Feru F, Jacques SL, Deshmukh GD, Ye P, Rennie GR, Johnson T, Kazmirski S, Low S, Coli R, Ding YH, Cheng AC, Tecle H, English JM, Stanton R, Wu JC.
Enhanced selectivity profile of pyrazole-urea based DFG-out p38alpha inhibitors. Liu H, Kuhn C, Feru F, Jacques SL, Deshmukh GD, Ye P, Rennie GR, Johnson T, Kazmirski S, Low S, Coli R, Ding YH, Cheng AC, Tecle H, English JM, Stanton R, Wu JC.: Enhanced selectivity profile of pyrazole-urea based DFG-out p38alpha inhibitors. Bioorg Med Chem Lett, Volume 20 (16), 2010 Bioorg Med Chem Lett 2010 20620059
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Liu H, Qiang X, Song Q, Li W, He Y, Ye C, Tan Z, Deng Y.
Liu H, Qiang X, Song Q, Li W, He Y, Ye C, Tan Z, Deng Y.
Discovery of 4'-OH-flurbiprofen Mannich base derivatives as potential Alzheimer's disease treatment with multiple... Liu H, Qiang X, Song Q, Li W, He Y, Ye C, Tan Z, Deng Y.: Discovery of 4'-OH-flurbiprofen Mannich base derivatives as potential Alzheimer's disease treatment with multiple inhibitory activities. Bioorg Med Chem, Volume 27 (6), 2019 Bioorg Med Chem 2019 30772129
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Liu H., Huang R.G., Fang Y.
Liu H., Huang R.G., Fang Y.
New Fluorescent Conjugates Displaying Solvatochromic Properties Liu H., Huang R.G., Fang Y.: New Fluorescent Conjugates Displaying Solvatochromic Properties, Chin. J. Chem., 35, 707, 2017. Chin. J. Chem. 2017 10.1002/cjoc.20...
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Liu KG, Kim JI, Olszewski K, Barsotti AM, Morris K,...
Liu KG, Kim JI, Olszewski K, Barsotti AM, Morris K, Lamarque C, Yu X, Gaffney J, Feng XJ, Patel JP, Poyurovsky MV.
Discovery and Optimization of Glucose Uptake Inhibitors. Liu KG, Kim JI, Olszewski K, Barsotti AM, Morris K, Lamarque C, Yu X, Gaffney J, Feng XJ, Patel JP, Poyurovsky MV.: Discovery and Optimization of Glucose Uptake Inhibitors. J Med Chem, Volume 63 (10), 2020 J Med Chem 2020 32282207
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Liu L, Johnson PD, Prime ME, Khetarpal V, Lee MR, Brown CJ,...
Liu L, Johnson PD, Prime ME, Khetarpal V, Lee MR, Brown CJ, Chen X, Clark-Frew D, Coe S, Conlon M, Davis R, Ensor S, Esposito S, Moren AF, Gai X, Green S, Greenaway C, Haber J, Halldin C, Hayes S, Herbst T, Herrmann F, Heßmann M, Hsai MM, Kotey A, Mangette JE, Mills MR, Monteagudo E, Nag S, Nibbio M, Orsatti L, Schaertl S, Scheich C, Sproston J, Stepanov V, Varnäs K, Varrone A, Wityak J, Mrzljak L, Munoz-Sanjuan I, Bard JA, Dominguez C.
[11C]CHDI-626, a PET Tracer Candidate for Imaging Mutant Huntingtin Aggregates with Reduced Binding to AD... Liu L, Johnson PD, Prime ME, Khetarpal V, Lee MR, Brown CJ, Chen X, Clark-Frew D, Coe S, Conlon M, Davis R, Ensor S, Esposito S, Moren AF, Gai X, Green S, Greenaway C, Haber J, Halldin C, Hayes S, Herbst T, Herrmann F, Heßmann M, Hsai MM, Kotey A, Mangette JE, Mills MR, Monteagudo E, Nag S, Nibbio M, Orsatti L, Schaertl S, Scheich C, Sproston J, Stepanov V, Varnäs K, Varrone A, Wityak J, Mrzljak L, Munoz-Sanjuan I, Bard JA, Dominguez C.: [11C]CHDI-626, a PET Tracer Candidate for Imaging Mutant Huntingtin Aggregates with Reduced Binding to AD Pathological Proteins. J Med Chem, Volume 64 (16), 2021 J Med Chem 2021 34351166
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Liu L, Siegmund A, Xi N, Kaplan-Lefko P, Rex K, Chen A, Lin...
Liu L, Siegmund A, Xi N, Kaplan-Lefko P, Rex K, Chen A, Lin J, Moriguchi J, Berry L, Huang L, Teffera Y, Yang Y, Zhang Y, Bellon SF, Lee M, Shimanovich R, Bak A, Dominguez C, Norman MH, Harmange JC, Dussault I, Kim TS.
Discovery of a potent, selective, and orally bioavailable c-Met inhibitor:... Liu L, Siegmund A, Xi N, Kaplan-Lefko P, Rex K, Chen A, Lin J, Moriguchi J, Berry L, Huang L, Teffera Y, Yang Y, Zhang Y, Bellon SF, Lee M, Shimanovich R, Bak A, Dominguez C, Norman MH, Harmange JC, Dussault I, Kim TS.: Discovery of a potent, selective, and orally bioavailable c-Met inhibitor: 1-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide (AMG 458). J Med Chem, Volume 51 (13), 2008 J Med Chem 2008 18553959
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Liu L, Tang M, Pragani R, Whitby FG, Zhang YQ, Balakrishnan...
Liu L, Tang M, Pragani R, Whitby FG, Zhang YQ, Balakrishnan B, Fang Y, Karavadhi S, Tao D, LeClair CA, Hall MD, Marugan JJ, Boxer M, Shen M, Hill CP, Lai K, Patnaik S.
Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. Liu L, Tang M, Pragani R, Whitby FG, Zhang YQ, Balakrishnan B, Fang Y, Karavadhi S, Tao D, LeClair CA, Hall MD, Marugan JJ, Boxer M, Shen M, Hill CP, Lai K, Patnaik S.: Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J Med Chem, Volume 64 (18), 2021 J Med Chem 2021 34491744
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Liu Q, Batt DG, Weigelt CA, Yip S, Wu DR, Ruzanov M, Sack...
Liu Q, Batt DG, Weigelt CA, Yip S, Wu DR, Ruzanov M, Sack JS, Wang J, Yarde M, Li S, Shuster DJ, Xie JH, Sherry T, Obermeier MT, Fura A, Stefanski K, Cornelius G, Khandelwal P, Tino JA, Macor JE, Salter-Cid L, Denton R, Zhao Q, Dhar TGM.
Novel Tricyclic Pyroglutamide Derivatives as Potent RORγt Inverse Agonists Identified using a Virtual Screening... Liu Q, Batt DG, Weigelt CA, Yip S, Wu DR, Ruzanov M, Sack JS, Wang J, Yarde M, Li S, Shuster DJ, Xie JH, Sherry T, Obermeier MT, Fura A, Stefanski K, Cornelius G, Khandelwal P, Tino JA, Macor JE, Salter-Cid L, Denton R, Zhao Q, Dhar TGM.: Novel Tricyclic Pyroglutamide Derivatives as Potent RORγt Inverse Agonists Identified using a Virtual Screening Approach. ACS Med Chem Lett, Volume 11 (12), 2020 ACS Med Chem Lett 2020 33335675
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Liu Q, Huang F, Yuan X, Wang K, Zou Y, Shen J, Xu Y.
Liu Q, Huang F, Yuan X, Wang K, Zou Y, Shen J, Xu Y.
Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase... Liu Q, Huang F, Yuan X, Wang K, Zou Y, Shen J, Xu Y.: Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J Med Chem, Volume 60 (24), 2017 J Med Chem 2017 29193967
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Liu Q, Shi Q, Marcoux D, Batt DG, Cornelius L, Qin LY, Ruan...
Liu Q, Shi Q, Marcoux D, Batt DG, Cornelius L, Qin LY, Ruan Z, Neels J, Beaudoin-Bertrand M, Srivastava AS, Li L, Cherney RJ, Gong H, Watterson SH, Weigelt C, Gillooly KM, McIntyre KW, Xie JH, Obermeier MT, Fura A, Sleczka B, Stefanski K, Fancher RM, Padmanabhan S, Rp T, Kundu I, Rajareddy K, Smith R, Hennan JK, Xing D, Fan J, Levesque PC, Ruan Q, Pitt S, Zhang R, Pedicord D, Pan J, Yarde M, Lu H, Lippy J, Goldstine C, Skala S, Rampulla RA, Mathur A, Gupta A, Arunachalam PN, Sack JS, Muckelbauer JK, Cvijic ME, Salter-Cid LM, Bhide RS, Poss MA, Hynes J, Carter PH, Macor JE, Ruepp S, Schieven GL, Tino JA.
Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase δ (PI3Kδ) Inhibitor for the... Liu Q, Shi Q, Marcoux D, Batt DG, Cornelius L, Qin LY, Ruan Z, Neels J, Beaudoin-Bertrand M, Srivastava AS, Li L, Cherney RJ, Gong H, Watterson SH, Weigelt C, Gillooly KM, McIntyre KW, Xie JH, Obermeier MT, Fura A, Sleczka B, Stefanski K, Fancher RM, Padmanabhan S, Rp T, Kundu I, Rajareddy K, Smith R, Hennan JK, Xing D, Fan J, Levesque PC, Ruan Q, Pitt S, Zhang R, Pedicord D, Pan J, Yarde M, Lu H, Lippy J, Goldstine C, Skala S, Rampulla RA, Mathur A, Gupta A, Arunachalam PN, Sack JS, Muckelbauer JK, Cvijic ME, Salter-Cid LM, Bhide RS, Poss MA, Hynes J, Carter PH, Macor JE, Ruepp S, Schieven GL, Tino JA.: Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase δ (PI3Kδ) Inhibitor for the Treatment of Immunological Disorders. J Med Chem, Volume 60 (12), 2017 J Med Chem 2017 28541707
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Liu Q, Xiao HY, Batt DG, Xiao Z, Zhu Y, Yang MG, Li N, Yip...
Liu Q, Xiao HY, Batt DG, Xiao Z, Zhu Y, Yang MG, Li N, Yip S, Li P, Sun D, Wu DR, Ruzanov M, Sack JS, Weigelt CA, Wang J, Li S, Shuster DJ, Xie JH, Song Y, Sherry T, Obermeier MT, Fura A, Stefanski K, Cornelius G, Chacko S, Khandelwal P, Dudhgaonkar S, Rudra A, Nagar J, Murali V, Govindarajan A, Denton R, Zhao Q, Meanwell NA, Borzilleri R, Dhar TGM.
Azatricyclic Inverse Agonists of RORγt That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis. Liu Q, Xiao HY, Batt DG, Xiao Z, Zhu Y, Yang MG, Li N, Yip S, Li P, Sun D, Wu DR, Ruzanov M, Sack JS, Weigelt CA, Wang J, Li S, Shuster DJ, Xie JH, Song Y, Sherry T, Obermeier MT, Fura A, Stefanski K, Cornelius G, Chacko S, Khandelwal P, Dudhgaonkar S, Rudra A, Nagar J, Murali V, Govindarajan A, Denton R, Zhao Q, Meanwell NA, Borzilleri R, Dhar TGM.: Azatricyclic Inverse Agonists of RORγt That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis. ACS Med Chem Lett, Volume 12 (5), 2021 ACS Med Chem Lett 2021 34055233
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Liu QH, Wu JJ, Li F, Cai P, Yang XL, Kong LY, Wang XB.
Liu QH, Wu JJ, Li F, Cai P, Yang XL, Kong LY, Wang XB.
Synthesis and pharmacological evaluation of multi-functional homoisoflavonoid derivatives as potent inhibitors of... Liu QH, Wu JJ, Li F, Cai P, Yang XL, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of multi-functional homoisoflavonoid derivatives as potent inhibitors of monoamine oxidase B and cholinesterase for the treatment of Alzheimer's disease. Medchemcomm, Volume 8 (7), 2017 Medchemcomm 2017 30108857
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Liu S, Zha C, Nacro K, Hu M, Cui W, Yang YL, Bhatt U,...
Liu S, Zha C, Nacro K, Hu M, Cui W, Yang YL, Bhatt U, Sambandam A, Isherwood M, Yet L, Herr MT, Ebeltoft S, Hassler C, Fleming L, Pechulis AD, Payen-Fornicola A, Holman N, Milanowski D, Cotterill I, Mozhaev V, Khmelnitsky Y, Guzzo PR, Sargent BJ, Molino BF, Olson R, King D, Lelas S, Li YW, Johnson K, Molski T, Orie A, Ng A, Haskell R, Clarke W, Bertekap R, O'Connell J, Lodge N, Sinz M, Adams S, Zaczek R, Macor JE.
Design and synthesis of 4-heteroaryl 1,2,3,4-tetrahydroisoquinolines as triple reuptake inhibitors. Liu S, Zha C, Nacro K, Hu M, Cui W, Yang YL, Bhatt U, Sambandam A, Isherwood M, Yet L, Herr MT, Ebeltoft S, Hassler C, Fleming L, Pechulis AD, Payen-Fornicola A, Holman N, Milanowski D, Cotterill I, Mozhaev V, Khmelnitsky Y, Guzzo PR, Sargent BJ, Molino BF, Olson R, King D, Lelas S, Li YW, Johnson K, Molski T, Orie A, Ng A, Haskell R, Clarke W, Bertekap R, O'Connell J, Lodge N, Sinz M, Adams S, Zaczek R, Macor JE.: Design and synthesis of 4-heteroaryl 1,2,3,4-tetrahydroisoquinolines as triple reuptake inhibitors. ACS Med Chem Lett, Volume 5 (7), 2014 ACS Med Chem Lett 2014 25050161
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Liu T, Nair SJ, Lescarbeau A, Belani J, Peluso S, Conley J,...
Liu T, Nair SJ, Lescarbeau A, Belani J, Peluso S, Conley J, Tillotson B, O'Hearn P, Smith S, Slocum K, West K, Helble J, Douglas M, Bahadoor A, Ali J, McGovern K, Fritz C, Palombella VJ, Wylie A, Castro AC, Tremblay MR.
Synthetic silvestrol analogues as potent and selective protein synthesis inhibitors. Liu T, Nair SJ, Lescarbeau A, Belani J, Peluso S, Conley J, Tillotson B, O'Hearn P, Smith S, Slocum K, West K, Helble J, Douglas M, Bahadoor A, Ali J, McGovern K, Fritz C, Palombella VJ, Wylie A, Castro AC, Tremblay MR.: Synthetic silvestrol analogues as potent and selective protein synthesis inhibitors. J Med Chem, Volume 55 (20), 2012 J Med Chem 2012 23025805
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Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X,...
Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.
Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with... Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018 Bioorg Med Chem 2018 29729987
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Liu X, Huang J, Sun Y, Zhan K, Zhang Z, Hong M.
Liu X, Huang J, Sun Y, Zhan K, Zhang Z, Hong M.
Identification of multiple binding sites for substrate transport in bovine organic anion transporting polypeptide 1a2. Liu X, Huang J, Sun Y, Zhan K, Zhang Z, Hong M.: Identification of multiple binding sites for substrate transport in bovine organic anion transporting polypeptide 1a2. Drug Metab Dispos, Volume 41 (3), 2013 Drug Metab Dispos 2013 23255551
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Liu Y, Esteva-Font C, Yao C, Phuan PW, Verkman AS, Anderson...
Liu Y, Esteva-Font C, Yao C, Phuan PW, Verkman AS, Anderson MO.
1,1-Difluoroethyl-substituted triazolothienopyrimidines as inhibitors of a human urea transport protein (UT-B): new... Liu Y, Esteva-Font C, Yao C, Phuan PW, Verkman AS, Anderson MO.: 1,1-Difluoroethyl-substituted triazolothienopyrimidines as inhibitors of a human urea transport protein (UT-B): new analogs and binding model. Bioorg Med Chem Lett, Volume 23 (11), 2013 Bioorg Med Chem Lett 2013 23597791
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Liu Y, Wu J, Zhou M, Chen W, Li D, Wang Z, Hornsperger B,...
Liu Y, Wu J, Zhou M, Chen W, Li D, Wang Z, Hornsperger B, Aebi JD, Märki HP, Kuhn B, Wang L, Kuglstatter A, Benz J, Müller S, Hochstrasser R, Ottaviani G, Xin J, Kirchner S, Mohr S, Verry P, Riboulet W, Shen HC, Mayweg AV, Amrein K, Tan X.
Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase... Liu Y, Wu J, Zhou M, Chen W, Li D, Wang Z, Hornsperger B, Aebi JD, Märki HP, Kuhn B, Wang L, Kuglstatter A, Benz J, Müller S, Hochstrasser R, Ottaviani G, Xin J, Kirchner S, Mohr S, Verry P, Riboulet W, Shen HC, Mayweg AV, Amrein K, Tan X.: Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J Med Chem, Volume 63 (13), 2020 J Med Chem 2020 32530624
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Liu Y, Zhang W, Li L, Salvador LA, Chen T, Chen W,...
Liu Y, Zhang W, Li L, Salvador LA, Chen T, Chen W, Felsenstein KM, Ladd TB, Price AR, Golde TE, He J, Xu Y, Li Y, Luesch H.
Cyanobacterial peptides as a prototype for the design of potent β-secretase inhibitors and the development of... Liu Y, Zhang W, Li L, Salvador LA, Chen T, Chen W, Felsenstein KM, Ladd TB, Price AR, Golde TE, He J, Xu Y, Li Y, Luesch H.: Cyanobacterial peptides as a prototype for the design of potent β-secretase inhibitors and the development of selective chemical probes for other aspartic proteases. J Med Chem, Volume 55 (23), 2012 J Med Chem 2012 23181502
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Liu YA, Jin Q, Zou Y, Ding Q, Yan S, Wang Z, Hao X, Nguyen...
Liu YA, Jin Q, Zou Y, Ding Q, Yan S, Wang Z, Hao X, Nguyen B, Zhang X, Pan J, Mo T, Jacobsen K, Lam T, Wu TY, Petrassi HM, Bursulaya B, DiDonato M, Gordon WP, Liu B, Baaten J, Hill R, Nguyen-Tran V, Qiu M, Zhang YQ, Kamireddy A, Espinola S, Deaton L, Ha S, Harb G, Jia Y, Li J, Shen W, Schumacher AM, Colman K, Glynne R, Pan S, McNamara P, Laffitte B, Meeusen S, Molteni V, Loren J.
Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133. Liu YA, Jin Q, Zou Y, Ding Q, Yan S, Wang Z, Hao X, Nguyen B, Zhang X, Pan J, Mo T, Jacobsen K, Lam T, Wu TY, Petrassi HM, Bursulaya B, DiDonato M, Gordon WP, Liu B, Baaten J, Hill R, Nguyen-Tran V, Qiu M, Zhang YQ, Kamireddy A, Espinola S, Deaton L, Ha S, Harb G, Jia Y, Li J, Shen W, Schumacher AM, Colman K, Glynne R, Pan S, McNamara P, Laffitte B, Meeusen S, Molteni V, Loren J.: Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133. J Med Chem, Volume 63 (6), 2020 J Med Chem 2020 32077280
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Liu Z, Yao Y, Kogiso M, Zheng B, Deng L, Qiu JJ, Dong S, Lv...
Liu Z, Yao Y, Kogiso M, Zheng B, Deng L, Qiu JJ, Dong S, Lv H, Gallo JM, Li XN, Song Y.
Inhibition of cancer-associated mutant isocitrate dehydrogenases: synthesis, structure-activity relationship, and... Liu Z, Yao Y, Kogiso M, Zheng B, Deng L, Qiu JJ, Dong S, Lv H, Gallo JM, Li XN, Song Y.: Inhibition of cancer-associated mutant isocitrate dehydrogenases: synthesis, structure-activity relationship, and selective antitumor activity. J Med Chem, Volume 57 (20), 2014 J Med Chem 2014 25271760
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Liu Z, Yu P, Dong L, Wang W, Duan S, Wang B, Gong X, Ye L,...
Liu Z, Yu P, Dong L, Wang W, Duan S, Wang B, Gong X, Ye L, Wang H, Tian J.
Discovery of the Next-Generation Pan-TRK Kinase Inhibitors for the Treatment of Cancer. Liu Z, Yu P, Dong L, Wang W, Duan S, Wang B, Gong X, Ye L, Wang H, Tian J.: Discovery of the Next-Generation Pan-TRK Kinase Inhibitors for the Treatment of Cancer. J Med Chem, Volume 64 (14), 2021 J Med Chem 2021 34253025
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Lloyd MG, Huckvale R, Cheung KJ, Rodrigues MJ, Collie GW,...
Lloyd MG, Huckvale R, Cheung KJ, Rodrigues MJ, Collie GW, Pierrat OA, Gatti Iou M, Carter M, Davis OA, McAndrew PC, Gunnell E, Le Bihan YV, Talbot R, Henley AT, Johnson LD, Hayes A, Bright MD, Raynaud FI, Meniconi M, Burke R, van Montfort RLM, Rossanese OW, Bellenie BR, Hoelder S.
Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. Lloyd MG, Huckvale R, Cheung KJ, Rodrigues MJ, Collie GW, Pierrat OA, Gatti Iou M, Carter M, Davis OA, McAndrew PC, Gunnell E, Le Bihan YV, Talbot R, Henley AT, Johnson LD, Hayes A, Bright MD, Raynaud FI, Meniconi M, Burke R, van Montfort RLM, Rossanese OW, Bellenie BR, Hoelder S.: Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J Med Chem, Volume 64 (23), 2021 J Med Chem 2021 34846884
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Loe DW, Almquist KC, Cole SP, Deeley RG.
Loe DW, Almquist KC, Cole SP, Deeley RG.
ATP-dependent 17 beta-estradiol 17-(beta-D-glucuronide) transport by multidrug resistance protein (MRP). Inhibition by... Loe DW, Almquist KC, Cole SP, Deeley RG.: ATP-dependent 17 beta-estradiol 17-(beta-D-glucuronide) transport by multidrug resistance protein (MRP). Inhibition by cholestatic steroids. J Biol Chem, Volume 271 (16), 1996 J Biol Chem 1996 8621644
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Lohmann C, Gelius B, Danielsson J, Skoging-Nyberg U,...
Lohmann C, Gelius B, Danielsson J, Skoging-Nyberg U, Hollnack E, Dudley A, Wahlberg J, Hoogstraate J, Gustavsson L.
Scintillation proximity assay for measuring uptake by the human drug transporters hOCT1, hOAT3, and hOATP1B1. Lohmann C, Gelius B, Danielsson J, Skoging-Nyberg U, Hollnack E, Dudley A, Wahlberg J, Hoogstraate J, Gustavsson L.: Scintillation proximity assay for measuring uptake by the human drug transporters hOCT1, hOAT3, and hOATP1B1. Anal Biochem, Volume 366 (2), 2007 Anal Biochem 2007 17555702
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lomize AL, Pogozheva ID.
Lomize AL, Pogozheva ID.
Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019 J Chem Inf Model 2019 31259555
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Lomize AL, Pogozheva ID
Lomize AL, Pogozheva ID
Prediction of passive membrane permeability and translocation pathways of biologically active molecules Lomize AL, Pogozheva ID: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017. Biophys. J. 2017 10.1016/j.bpj.2...
Total substances: 510
Total passive interactions: 1629
Total active interactions: 0
Lomize AL,Hage JM, Schnitzer K, Golobokov K, LaFaive MB,...
Lomize AL,Hage JM, Schnitzer K, Golobokov K, LaFaive MB, Forsyth AC, Pogozheva ID
PerMM: A Web Tool and Database for Analysis of Passive Membrane Permeability and Translocation Pathways of Bioactive... Lomize AL,Hage JM, Schnitzer K, Golobokov K, LaFaive MB, Forsyth AC, Pogozheva ID: PerMM: A Web Tool and Database for Analysis of Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J. Chem. Inf. Model. 59(7), 3094-3099, 2019 J. Chem. Inf. Model. 2019 10.1021/acs.jci...
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London C, Hoyt SB, Parsons WH, Williams BS, Warren VA,...
London C, Hoyt SB, Parsons WH, Williams BS, Warren VA, Tschirret-Guth R, Smith MM, Priest BT, McGowan E, Martin WJ, Lyons KA, Li X, Karanam BV, Jochnowitz N, Garcia ML, Felix JP, Dean B, Abbadie C, Kaczorowski GJ, Duffy JL.
Imidazopyridines: a novel class of hNav1.7 channel blockers. London C, Hoyt SB, Parsons WH, Williams BS, Warren VA, Tschirret-Guth R, Smith MM, Priest BT, McGowan E, Martin WJ, Lyons KA, Li X, Karanam BV, Jochnowitz N, Garcia ML, Felix JP, Dean B, Abbadie C, Kaczorowski GJ, Duffy JL.: Imidazopyridines: a novel class of hNav1.7 channel blockers. Bioorg Med Chem Lett, Volume 18 (5), 2008 Bioorg Med Chem Lett 2008 18243692
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Londregan AT, Wei L, Xiao J, Lintner NG, Petersen D, Dullea...
Londregan AT, Wei L, Xiao J, Lintner NG, Petersen D, Dullea RG, McClure KF, Bolt MW, Warmus JS, Coffey SB, Limberakis C, Genovino J, Thuma BA, Hesp KD, Aspnes GE, Reidich B, Salatto CT, Chabot JR, Cate JHD, Liras S, Piotrowski DW.
Small Molecule Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Inhibitors: Hit to Lead Optimization of Systemic... Londregan AT, Wei L, Xiao J, Lintner NG, Petersen D, Dullea RG, McClure KF, Bolt MW, Warmus JS, Coffey SB, Limberakis C, Genovino J, Thuma BA, Hesp KD, Aspnes GE, Reidich B, Salatto CT, Chabot JR, Cate JHD, Liras S, Piotrowski DW.: Small Molecule Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Inhibitors: Hit to Lead Optimization of Systemic Agents. J Med Chem, Volume 61 (13), 2018 J Med Chem 2018 29878763
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Long DD, Frieman B, Hegde SS, Hill CM, Jiang L, Kintz S,...
Long DD, Frieman B, Hegde SS, Hill CM, Jiang L, Kintz S, Marquess DG, Purkey H, Shaw JP, Steinfeld T, Wilson MS, Wrench K.
A multivalent approach towards linked dual-pharmacology prostaglandin F receptor agonist/carbonic anhydrase-II... Long DD, Frieman B, Hegde SS, Hill CM, Jiang L, Kintz S, Marquess DG, Purkey H, Shaw JP, Steinfeld T, Wilson MS, Wrench K.: A multivalent approach towards linked dual-pharmacology prostaglandin F receptor agonist/carbonic anhydrase-II inhibitors for the treatment of glaucoma. Bioorg Med Chem Lett, Volume 23 (4), 2013 Bioorg Med Chem Lett 2013 23317571
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Lopes JPB, Silva L, Ceschi MA, Lüdtke DS, Zimmer AR, Ruaro...
Lopes JPB, Silva L, Ceschi MA, Lüdtke DS, Zimmer AR, Ruaro TC, Dantas RF, de Salles CMC, Silva-Jr FP, Senger MR, Barbosa G, Lima LM, Guedes IA, Dardenne LE.
Synthesis of new lophine-carbohydrate hybrids as cholinesterase inhibitors: cytotoxicity evaluation and molecular... Lopes JPB, Silva L, Ceschi MA, Lüdtke DS, Zimmer AR, Ruaro TC, Dantas RF, de Salles CMC, Silva-Jr FP, Senger MR, Barbosa G, Lima LM, Guedes IA, Dardenne LE.: Synthesis of new lophine-carbohydrate hybrids as cholinesterase inhibitors: cytotoxicity evaluation and molecular modeling. Medchemcomm, Volume 10 (12), 2019 Medchemcomm 2019 32904099
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Lopez M, Paul B, Hofmann A, Morizzi J, Wu QK, Charman SA,...
Lopez M, Paul B, Hofmann A, Morizzi J, Wu QK, Charman SA, Innocenti A, Vullo D, Supuran CT, Poulsen SA.
S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic... Lopez M, Paul B, Hofmann A, Morizzi J, Wu QK, Charman SA, Innocenti A, Vullo D, Supuran CT, Poulsen SA.: S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J Med Chem, Volume 52 (20), 2009 J Med Chem 2009 19827837
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López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil...
López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.
New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and... López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014 J Med Chem 2014 24738476
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Lopez-Tapia F, Brotherton-Pleiss C, Yue P, Murakami H,...
Lopez-Tapia F, Brotherton-Pleiss C, Yue P, Murakami H, Costa Araujo AC, Reis Dos Santos B, Ichinotsubo E, Rabkin A, Shah R, Lantz M, Chen S, Tius MA, Turkson J.
Linker Variation and Structure-Activity Relationship Analyses of Carboxylic Acid-based Small Molecule STAT3 Inhibitors. Lopez-Tapia F, Brotherton-Pleiss C, Yue P, Murakami H, Costa Araujo AC, Reis Dos Santos B, Ichinotsubo E, Rabkin A, Shah R, Lantz M, Chen S, Tius MA, Turkson J.: Linker Variation and Structure-Activity Relationship Analyses of Carboxylic Acid-based Small Molecule STAT3 Inhibitors. ACS Med Chem Lett, Volume 9 (3), 2018 ACS Med Chem Lett 2018 29541369
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Lorthiois E, Cumin F, Ehrhardt C, Kosaka T, Sellner H,...
Lorthiois E, Cumin F, Ehrhardt C, Kosaka T, Sellner H, Ostermann N, Francotte E, Wagner T, Maibaum J.
trans-(3S,4S)-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part I: prime site... Lorthiois E, Cumin F, Ehrhardt C, Kosaka T, Sellner H, Ostermann N, Francotte E, Wagner T, Maibaum J.: trans-(3S,4S)-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part I: prime site exploration using an amino linker. Bioorg Med Chem Lett, Volume 25 (8), 2015 Bioorg Med Chem Lett 2015 25782742
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Lorthiois E, Roache J, Barnes-Seeman D, Altmann E,...
Lorthiois E, Roache J, Barnes-Seeman D, Altmann E, Hassiepen U, Turner G, Duvadie R, Hornak V, Karki RG, Schiering N, Weihofen WA, Perruccio F, Calhoun A, Fazal T, Dedic D, Durand C, Dussauge S, Fettis K, Tritsch F, Dentel C, Druet A, Liu D, Kirman L, Lachal J, Namoto K, Bevan D, Mo R, Monnet G, Muller L, Zessis R, Huang X, Lindsley L, Currie T, Chiu YH, Fridrich C, Delgado P, Wang S, Hollis-Symynkywicz M, Berghausen J, Williams E, Liu H, Liang G, Kim H, Hoffmann P, Hein A, Ramage P, D'Arcy A, Harlfinger S, Renatus M, Ruedisser S, Feldman D, Elliott J, Sedrani R, Maibaum J, Adams CM.
Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors:... Lorthiois E, Roache J, Barnes-Seeman D, Altmann E, Hassiepen U, Turner G, Duvadie R, Hornak V, Karki RG, Schiering N, Weihofen WA, Perruccio F, Calhoun A, Fazal T, Dedic D, Durand C, Dussauge S, Fettis K, Tritsch F, Dentel C, Druet A, Liu D, Kirman L, Lachal J, Namoto K, Bevan D, Mo R, Monnet G, Muller L, Zessis R, Huang X, Lindsley L, Currie T, Chiu YH, Fridrich C, Delgado P, Wang S, Hollis-Symynkywicz M, Berghausen J, Williams E, Liu H, Liang G, Kim H, Hoffmann P, Hein A, Ramage P, D'Arcy A, Harlfinger S, Renatus M, Ruedisser S, Feldman D, Elliott J, Sedrani R, Maibaum J, Adams CM.: Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J Med Chem, Volume 63 (15), 2020 J Med Chem 2020 32551603
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Lounsbury N, Mateo G, Jones B, Papaiahgari S, Thimmulappa...
Lounsbury N, Mateo G, Jones B, Papaiahgari S, Thimmulappa RK, Teijaro C, Gordon J, Korzekwa K, Ye M, Allaway G, Abou-Gharbia M, Biswal S, Childers W.
Heterocyclic chalcone activators of nuclear factor (erythroid-derived 2)-like 2 (Nrf2) with improved in vivo efficacy. Lounsbury N, Mateo G, Jones B, Papaiahgari S, Thimmulappa RK, Teijaro C, Gordon J, Korzekwa K, Ye M, Allaway G, Abou-Gharbia M, Biswal S, Childers W.: Heterocyclic chalcone activators of nuclear factor (erythroid-derived 2)-like 2 (Nrf2) with improved in vivo efficacy. Bioorg Med Chem, Volume 23 (17), 2015 Bioorg Med Chem 2015 26278028
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Lovejoy KS, Todd RC, Zhang S, McCormick MS, D'Aquino JA,...
Lovejoy KS, Todd RC, Zhang S, McCormick MS, D'Aquino JA, Reardon JT, Sancar A, Giacomini KM, Lippard SJ.
cis-Diammine(pyridine)chloroplatinum(II), a monofunctional platinum(II) antitumor agent: Uptake, structure, function,... Lovejoy KS, Todd RC, Zhang S, McCormick MS, D'Aquino JA, Reardon JT, Sancar A, Giacomini KM, Lippard SJ.: cis-Diammine(pyridine)chloroplatinum(II), a monofunctional platinum(II) antitumor agent: Uptake, structure, function, and prospects. Proc Natl Acad Sci U S A, Volume 105 (26), 2008 Proc Natl Acad Sci U S A 2008 18579768
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David...
Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.
An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010 Bioorg Med Chem Lett 2010 20045321
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Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S,...
Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.
The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009 Bioorg Med Chem Lett 2009 19410451
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Lowes D, Pradhan A, Iyer LV, Parman T, Gow J, Zhu F,...
Lowes D, Pradhan A, Iyer LV, Parman T, Gow J, Zhu F, Furimsky A, Lemoff A, Guiguemde WA, Sigal M, Clark JA, Wilson E, Tang L, Connelly MC, Derisi JL, Kyle DE, Mirsalis J, Guy RK.
Lead optimization of antimalarial propafenone analogues. Lowes D, Pradhan A, Iyer LV, Parman T, Gow J, Zhu F, Furimsky A, Lemoff A, Guiguemde WA, Sigal M, Clark JA, Wilson E, Tang L, Connelly MC, Derisi JL, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of antimalarial propafenone analogues. J Med Chem, Volume 55 (13), 2012 J Med Chem 2012 22708838
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Total active interactions: 0
Lowes DJ, Guiguemde WA, Connelly MC, Zhu F, Sigal MS, Clark...
Lowes DJ, Guiguemde WA, Connelly MC, Zhu F, Sigal MS, Clark JA, Lemoff AS, Derisi JL, Wilson EB, Guy RK.
Optimization of propafenone analogues as antimalarial leads. Lowes DJ, Guiguemde WA, Connelly MC, Zhu F, Sigal MS, Clark JA, Lemoff AS, Derisi JL, Wilson EB, Guy RK.: Optimization of propafenone analogues as antimalarial leads. J Med Chem, Volume 54 (21), 2011 J Med Chem 2011 21955244
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lu H, Yang T, Xu Z, Wren PB, Zhang Y, Cai X, Patel M, Dong...
Lu H, Yang T, Xu Z, Wren PB, Zhang Y, Cai X, Patel M, Dong K, Zhang Q, Zhang W, Guan X, Xiang J, Elliott JD, Lin X, Ren F.
2-Aminopyrimidin-4(1H)-one as the novel bioisostere of urea: discovery of novel and potent CXCR2 antagonists. Lu H, Yang T, Xu Z, Wren PB, Zhang Y, Cai X, Patel M, Dong K, Zhang Q, Zhang W, Guan X, Xiang J, Elliott JD, Lin X, Ren F.: 2-Aminopyrimidin-4(1H)-one as the novel bioisostere of urea: discovery of novel and potent CXCR2 antagonists. Bioorg Med Chem Lett, Volume 24 (23), 2014 Bioorg Med Chem Lett 2014 25455491
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Lu K, Jiang Y, Chen B, Eldemenky EM, Ma G, Packiarajan M,...
Lu K, Jiang Y, Chen B, Eldemenky EM, Ma G, Packiarajan M, Chandrasena G, White AD, Jones KA, Li B, Hong SP.
Strategies to lower the Pgp efflux liability in a series of potent indole azetidine MCHR1 antagonists. Lu K, Jiang Y, Chen B, Eldemenky EM, Ma G, Packiarajan M, Chandrasena G, White AD, Jones KA, Li B, Hong SP.: Strategies to lower the Pgp efflux liability in a series of potent indole azetidine MCHR1 antagonists. Bioorg Med Chem Lett, Volume 21 (18), 2011 Bioorg Med Chem Lett 2011 21802292
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Lu K, Wang Y, Zhang H, Tian C, Wang W, Yang T, Qi B, Wu S.
Lu K, Wang Y, Zhang H, Tian C, Wang W, Yang T, Qi B, Wu S.
Rational Design of a Theranostic Agent Triggered by Endogenous Nitric Oxide in a Cellular Model of Alzheimer's Disease. Lu K, Wang Y, Zhang H, Tian C, Wang W, Yang T, Qi B, Wu S.: Rational Design of a Theranostic Agent Triggered by Endogenous Nitric Oxide in a Cellular Model of Alzheimer's Disease. J Med Chem, Volume 65 (13), 2022 J Med Chem 2022 35729801
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Lu MC, Tan SJ, Ji JA, Chen ZY, Yuan ZW, You QD, Jiang ZY.
Lu MC, Tan SJ, Ji JA, Chen ZY, Yuan ZW, You QD, Jiang ZY.
Polar Recognition Group Study of Keap1-Nrf2 Protein-Protein Interaction Inhibitors. Lu MC, Tan SJ, Ji JA, Chen ZY, Yuan ZW, You QD, Jiang ZY.: Polar Recognition Group Study of Keap1-Nrf2 Protein-Protein Interaction Inhibitors. ACS Med Chem Lett, Volume 7 (9), 2016 ACS Med Chem Lett 2016 27660687
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Lu T, Goh AW, Yu M, Adams J, Lam F, Teo T, Li P, Noll B,...
Lu T, Goh AW, Yu M, Adams J, Lam F, Teo T, Li P, Noll B, Zhong L, Diab S, Chahrour O, Hu A, Abbas AY, Liu X, Huang S, Sumby CJ, Milne R, Midgley C, Wang S.
Discovery of (E)-3-((styrylsulfonyl)methyl)pyridine and (E)-2-((styrylsulfonyl)methyl)pyridine derivatives as... Lu T, Goh AW, Yu M, Adams J, Lam F, Teo T, Li P, Noll B, Zhong L, Diab S, Chahrour O, Hu A, Abbas AY, Liu X, Huang S, Sumby CJ, Milne R, Midgley C, Wang S.: Discovery of (E)-3-((styrylsulfonyl)methyl)pyridine and (E)-2-((styrylsulfonyl)methyl)pyridine derivatives as anticancer agents: synthesis, structure-activity relationships, and biological activities. J Med Chem, Volume 57 (6), 2014 J Med Chem 2014 24471873
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Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J,...
Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.
Discovery and clinical evaluation of... Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010 J Med Chem 2010 20102150
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Lu T, Schubert C, Cummings MD, Bignan G, Connolly PJ, Smans...
Lu T, Schubert C, Cummings MD, Bignan G, Connolly PJ, Smans K, Ludovici D, Parker MH, Meyer C, Rocaboy C, Alexander R, Grasberger B, De Breucker S, Esser N, Fraiponts E, Gilissen R, Janssens B, Peeters D, Van Nuffel L, Vermeulen P, Bischoff J, Meerpoel L.
Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy. Lu T, Schubert C, Cummings MD, Bignan G, Connolly PJ, Smans K, Ludovici D, Parker MH, Meyer C, Rocaboy C, Alexander R, Grasberger B, De Breucker S, Esser N, Fraiponts E, Gilissen R, Janssens B, Peeters D, Van Nuffel L, Vermeulen P, Bischoff J, Meerpoel L.: Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy. Bioorg Med Chem Lett, Volume 28 (12), 2018 Bioorg Med Chem Lett 2018 29779975
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Lu Y, Vibhute S, Li L, Okumu A, Ratigan SC, Nolan S, Papa...
Lu Y, Vibhute S, Li L, Okumu A, Ratigan SC, Nolan S, Papa JL, Mann CA, English A, Chen A, Seffernick JT, Koci B, Duncan LR, Roth B, Cummings JE, Slayden RA, Lindert S, McElroy CA, Wozniak DJ, Yalowich J, Mitton-Fry MJ.
Optimization of TopoIV Potency, ADMET Properties, and hERG Inhibition of 5-Amino-1,3-dioxane-Linked Novel Bacterial... Lu Y, Vibhute S, Li L, Okumu A, Ratigan SC, Nolan S, Papa JL, Mann CA, English A, Chen A, Seffernick JT, Koci B, Duncan LR, Roth B, Cummings JE, Slayden RA, Lindert S, McElroy CA, Wozniak DJ, Yalowich J, Mitton-Fry MJ.: Optimization of TopoIV Potency, ADMET Properties, and hERG Inhibition of 5-Amino-1,3-dioxane-Linked Novel Bacterial Topoisomerase Inhibitors: Identification of a Lead with In Vivo Efficacy against MRSA. J Med Chem, Volume 64 (20), 2021 J Med Chem 2021 34614347
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Lu Z, Ott GR, Anand R, Liu RQ, Covington MB, Vaddi K, Qian...
Lu Z, Ott GR, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos J, Duan JJ.
Potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE): discovery of... Lu Z, Ott GR, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos J, Duan JJ.: Potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE): discovery of indole, benzofuran, imidazopyridine and pyrazolopyridine P1' substituents. Bioorg Med Chem Lett, Volume 18 (6), 2008 Bioorg Med Chem Lett 2008 18282708
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Lübbers T, Böhringer M, Gobbi L, Hennig M, Hunziker D,...
Lübbers T, Böhringer M, Gobbi L, Hennig M, Hunziker D, Kuhn B, Löffler B, Mattei P, Narquizian R, Peters JU, Ruff Y, Wessel HP, Wyss P.
1,3-disubstituted 4-aminopiperidines as useful tools in the optimization of the 2-aminobenzo[a]quinolizine dipeptidyl... Lübbers T, Böhringer M, Gobbi L, Hennig M, Hunziker D, Kuhn B, Löffler B, Mattei P, Narquizian R, Peters JU, Ruff Y, Wessel HP, Wyss P.: 1,3-disubstituted 4-aminopiperidines as useful tools in the optimization of the 2-aminobenzo[a]quinolizine dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 17 (11), 2007 Bioorg Med Chem Lett 2007 17418568
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Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner...
Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.
Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009 Bioorg Med Chem Lett 2009 19592243
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lucas MC, Weikert RJ, Carter DS, Cai HY, Greenhouse R, Iyer...
Lucas MC, Weikert RJ, Carter DS, Cai HY, Greenhouse R, Iyer PS, Lin CJ, Lee EK, Madera AM, Moore A, Ozboya K, Schoenfeld RC, Steiner S, Zhai Y, Lynch SM.
Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in... Lucas MC, Weikert RJ, Carter DS, Cai HY, Greenhouse R, Iyer PS, Lin CJ, Lee EK, Madera AM, Moore A, Ozboya K, Schoenfeld RC, Steiner S, Zhai Y, Lynch SM.: Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in depression and pain. Bioorg Med Chem Lett, Volume 20 (18), 2010 Bioorg Med Chem Lett 2010 20691589
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Luci DK, Jameson JB, Yasgar A, Diaz G, Joshi N, Kantz A,...
Luci DK, Jameson JB, Yasgar A, Diaz G, Joshi N, Kantz A, Markham K, Perry S, Kuhn N, Yeung J, Kerns EH, Schultz L, Holinstat M, Nadler JL, Taylor-Fishwick DA, Jadhav A, Simeonov A, Holman TR, Maloney DJ.
Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide... Luci DK, Jameson JB, Yasgar A, Diaz G, Joshi N, Kantz A, Markham K, Perry S, Kuhn N, Yeung J, Kerns EH, Schultz L, Holinstat M, Nadler JL, Taylor-Fishwick DA, Jadhav A, Simeonov A, Holman TR, Maloney DJ.: Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase. J Med Chem, Volume 57 (2), 2014 J Med Chem 2014 24393039
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Luckhurst CA, Aziz O, Beaumont V, Bürli RW, Breccia P,...
Luckhurst CA, Aziz O, Beaumont V, Bürli RW, Breccia P, Maillard MC, Haughan AF, Lamers M, Leonard P, Matthews KL, Raphy G, Stott AJ, Munoz-Sanjuan I, Thomas B, Wall M, Wishart G, Yates D, Dominguez C.
Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor. Luckhurst CA, Aziz O, Beaumont V, Bürli RW, Breccia P, Maillard MC, Haughan AF, Lamers M, Leonard P, Matthews KL, Raphy G, Stott AJ, Munoz-Sanjuan I, Thomas B, Wall M, Wishart G, Yates D, Dominguez C.: Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor. Bioorg Med Chem Lett, Volume 29 (1), 2019 Bioorg Med Chem Lett 2019 30463802
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Luckhurst CA, Breccia P, Stott AJ, Aziz O, Birch HL, Bürli...
Luckhurst CA, Breccia P, Stott AJ, Aziz O, Birch HL, Bürli RW, Hughes SJ, Jarvis RE, Lamers M, Leonard PM, Matthews KL, McAllister G, Pollack S, Saville-Stones E, Wishart G, Yates D, Dominguez C.
Potent, Selective, and CNS-Penetrant Tetrasubstituted Cyclopropane Class IIa Histone Deacetylase (HDAC) Inhibitors. Luckhurst CA, Breccia P, Stott AJ, Aziz O, Birch HL, Bürli RW, Hughes SJ, Jarvis RE, Lamers M, Leonard PM, Matthews KL, McAllister G, Pollack S, Saville-Stones E, Wishart G, Yates D, Dominguez C.: Potent, Selective, and CNS-Penetrant Tetrasubstituted Cyclopropane Class IIa Histone Deacetylase (HDAC) Inhibitors. ACS Med Chem Lett, Volume 7 (1), 2016 ACS Med Chem Lett 2016 26819662
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Lücking U, Kosemund D, Böhnke N, Lienau P, Siemeister G,...
Lücking U, Kosemund D, Böhnke N, Lienau P, Siemeister G, Denner K, Bohlmann R, Briem H, Terebesi I, Bömer U, Schäfer M, Ince S, Mumberg D, Scholz A, Izumi R, Hwang S, von Nussbaum F.
Changing for the Better: Discovery of the Highly Potent and Selective CDK9 Inhibitor VIP152 Suitable for Once Weekly... Lücking U, Kosemund D, Böhnke N, Lienau P, Siemeister G, Denner K, Bohlmann R, Briem H, Terebesi I, Bömer U, Schäfer M, Ince S, Mumberg D, Scholz A, Izumi R, Hwang S, von Nussbaum F.: Changing for the Better: Discovery of the Highly Potent and Selective CDK9 Inhibitor VIP152 Suitable for Once Weekly Intravenous Dosing for the Treatment of Cancer. J Med Chem, Volume 64 (15), 2021 J Med Chem 2021 34264057
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Lücking U, Wortmann L, Wengner AM, Lefranc J, Lienau P,...
Lücking U, Wortmann L, Wengner AM, Lefranc J, Lienau P, Briem H, Siemeister G, Bömer U, Denner K, Schäfer M, Koppitz M, Eis K, Bartels F, Bader B, Bone W, Moosmayer D, Holton SJ, Eberspächer U, Grudzinska-Goebel J, Schatz C, Deeg G, Mumberg D, von Nussbaum F.
Damage Incorporated: Discovery of the Potent, Highly Selective, Orally Available ATR Inhibitor BAY 1895344 with... Lücking U, Wortmann L, Wengner AM, Lefranc J, Lienau P, Briem H, Siemeister G, Bömer U, Denner K, Schäfer M, Koppitz M, Eis K, Bartels F, Bader B, Bone W, Moosmayer D, Holton SJ, Eberspächer U, Grudzinska-Goebel J, Schatz C, Deeg G, Mumberg D, von Nussbaum F.: Damage Incorporated: Discovery of the Potent, Highly Selective, Orally Available ATR Inhibitor BAY 1895344 with Favorable Pharmacokinetic Properties and Promising Efficacy in Monotherapy and in Combination Treatments in Preclinical Tumor Models. J Med Chem, Volume 63 (13), 2020 J Med Chem 2020 32502336
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Luckner P, Brandsch M.
Luckner P, Brandsch M.
Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and... Luckner P, Brandsch M.: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm, Volume 59 (1), 2005 Eur J Pharm Biopharm 2005 15567297
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lugar CW, Clarke CA, Morphy R, Rudyk H, Sapmaz S, Stites...
Lugar CW, Clarke CA, Morphy R, Rudyk H, Sapmaz S, Stites RE, Vaught GM, Furness K, Broughton HB, Durst GL, Clawson DK, Stout SL, Guo SY, Durbin JD, Stayrook KR, Edmondson DD, Kikly K, New NE, Bina HA, Chambers MG, Shetler P, Chang WY, Chang VC, Barr R, Gough WH, Steele JP, Getman B, Patel N, Mathes BM, Richardson TI.
Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor... Lugar CW, Clarke CA, Morphy R, Rudyk H, Sapmaz S, Stites RE, Vaught GM, Furness K, Broughton HB, Durst GL, Clawson DK, Stout SL, Guo SY, Durbin JD, Stayrook KR, Edmondson DD, Kikly K, New NE, Bina HA, Chambers MG, Shetler P, Chang WY, Chang VC, Barr R, Gough WH, Steele JP, Getman B, Patel N, Mathes BM, Richardson TI.: Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (RORγt). J Med Chem, Volume 64 (9), 2021 J Med Chem 2021 33852312
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Lukas RJ, Muresan AZ, Damaj MI, Blough BE, Huang X, Navarro...
Lukas RJ, Muresan AZ, Damaj MI, Blough BE, Huang X, Navarro HA, Mascarella SW, Eaton JB, Marxer-Miller SK, Carroll FI.
Synthesis and characterization of in vitro and in vivo profiles of hydroxybupropion analogues: aids to smoking... Lukas RJ, Muresan AZ, Damaj MI, Blough BE, Huang X, Navarro HA, Mascarella SW, Eaton JB, Marxer-Miller SK, Carroll FI.: Synthesis and characterization of in vitro and in vivo profiles of hydroxybupropion analogues: aids to smoking cessation. J Med Chem, Volume 53 (12), 2010 J Med Chem 2010 20509659
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Luker T, Bonnert R, Paine SW, Schmidt J, Sargent C, Cook...
Luker T, Bonnert R, Paine SW, Schmidt J, Sargent C, Cook AR, Cook A, Gardiner P, Hill S, Weyman-Jones C, Patel A, Thom S, Thorne P.
Zwitterionic CRTh2 antagonists. Luker T, Bonnert R, Paine SW, Schmidt J, Sargent C, Cook AR, Cook A, Gardiner P, Hill S, Weyman-Jones C, Patel A, Thom S, Thorne P.: Zwitterionic CRTh2 antagonists. J Med Chem, Volume 54 (6), 2011 J Med Chem 2011 21355602
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Lukesh JC, Carney DW, Dong H, Cross RM, Shukla V, Duncan...
Lukesh JC, Carney DW, Dong H, Cross RM, Shukla V, Duncan KK, Yang S, Brody DM, Brütsch MM, Radakovic A, Boger DL.
Vinblastine 20' Amides: Synthetic Analogues That Maintain or Improve Potency and Simultaneously Overcome Pgp-Derived... Lukesh JC, Carney DW, Dong H, Cross RM, Shukla V, Duncan KK, Yang S, Brody DM, Brütsch MM, Radakovic A, Boger DL.: Vinblastine 20' Amides: Synthetic Analogues That Maintain or Improve Potency and Simultaneously Overcome Pgp-Derived Efflux and Resistance. J Med Chem, Volume 60 (17), 2017 J Med Chem 2017 28857558
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Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén...
Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.
Predicting drug permeability through skin using molecular dynamics simulation. Lundborg M, Wennberg CL, Narangifard A, Lindahl E, Norlén L.: Predicting drug permeability through skin using molecular dynamics simulation. J Control Release, Volume 283, 269-279, 2018 J Control Release 2018 29864475
Total substances: 8
Total passive interactions: 16
Total active interactions: 0
Luo G, Chen L, Civiello R, Pin SS, Xu C, Kostich W, Kelley...
Luo G, Chen L, Civiello R, Pin SS, Xu C, Kostich W, Kelley M, Conway CM, Macor JE, Dubowchik GM.
Calcitonin gene-related peptide (CGRP) receptor antagonists: pyridine as a replacement for a core amide group. Luo G, Chen L, Civiello R, Pin SS, Xu C, Kostich W, Kelley M, Conway CM, Macor JE, Dubowchik GM.: Calcitonin gene-related peptide (CGRP) receptor antagonists: pyridine as a replacement for a core amide group. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22429470
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Luo G, Chen L, Conway CM, Denton R, Keavy D, Gulianello M,...
Luo G, Chen L, Conway CM, Denton R, Keavy D, Gulianello M, Huang Y, Kostich W, Lentz KA, Mercer SE, Schartman R, Signor L, Browning M, Macor JE, Dubowchik GM.
Discovery of BMS-846372, a Potent and Orally Active Human CGRP Receptor Antagonist for the Treatment of Migraine. Luo G, Chen L, Conway CM, Denton R, Keavy D, Gulianello M, Huang Y, Kostich W, Lentz KA, Mercer SE, Schartman R, Signor L, Browning M, Macor JE, Dubowchik GM.: Discovery of BMS-846372, a Potent and Orally Active Human CGRP Receptor Antagonist for the Treatment of Migraine. ACS Med Chem Lett, Volume 3 (4), 2012 ACS Med Chem Lett 2012 24900474
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Luo G, Chen L, Conway CM, Denton R, Keavy D, Signor L,...
Luo G, Chen L, Conway CM, Denton R, Keavy D, Signor L, Kostich W, Lentz KA, Santone KS, Schartman R, Browning M, Tong G, Houston JG, Houston JG, Dubowchik GM, Macor JE.
Discovery of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl... Luo G, Chen L, Conway CM, Denton R, Keavy D, Signor L, Kostich W, Lentz KA, Santone KS, Schartman R, Browning M, Tong G, Houston JG, Houston JG, Dubowchik GM, Macor JE.: Discovery of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (BMS-927711): an oral calcitonin gene-related peptide (CGRP) antagonist in clinical trials for treating migraine. J Med Chem, Volume 55 (23), 2012 J Med Chem 2012 23153230
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Luo G, Chen L, Easton A, Newton A, Bourin C, Shields E,...
Luo G, Chen L, Easton A, Newton A, Bourin C, Shields E, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Sivarao DV, Senapati A, Bristow LJ, Meanwell NA, Thompson LA, Dzierba C.
Discovery of Indole- and Indazole-acylsulfonamides as Potent and Selective NaV1.7 Inhibitors for the... Luo G, Chen L, Easton A, Newton A, Bourin C, Shields E, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Sivarao DV, Senapati A, Bristow LJ, Meanwell NA, Thompson LA, Dzierba C.: Discovery of Indole- and Indazole-acylsulfonamides as Potent and Selective NaV1.7 Inhibitors for the Treatment of Pain. J Med Chem, Volume 62 (2), 2019 J Med Chem 2019 30576602
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Luo G, Chen L, Kostich WA, Hamman B, Allen J, Easton A,...
Luo G, Chen L, Kostich WA, Hamman B, Allen J, Easton A, Bourin C, Gulianello M, Lippy J, Nara S, Maishal TK, Thiyagarajan K, Jalagam P, Pattipati SN, Dandapani K, Dokania M, Vattikundala P, Sharma V, Elavazhagan S, Verma MK, Das ML, Wagh S, Balakrishnan A, Johnson BM, Santone KS, Thalody G, Denton R, Saminathan H, Holenarsipur VK, Kumar A, Rao A, Putlur SP, Sarvasiddhi SK, Shankar G, Louis JV, Ramarao M, Conway CM, Li YW, Pieschl R, Tian Y, Hong Y, Ditta J, Mathur A, Li J, Smith D, Pawluczyk J, Sun D, Yip S, Wu DR, Vetrichelvan M, Gupta A, Wilson A, Gopinathan S, Wason S, Bristow L, Albright CF, Bronson JJ, Macor JE, Dzierba CD.
Discovery of (S)-1-((2',6-Bis(difluoromethyl)-[2,4'-bipyridin]-5-yl)oxy)-2,4-dimethylpentan-2-amine... Luo G, Chen L, Kostich WA, Hamman B, Allen J, Easton A, Bourin C, Gulianello M, Lippy J, Nara S, Maishal TK, Thiyagarajan K, Jalagam P, Pattipati SN, Dandapani K, Dokania M, Vattikundala P, Sharma V, Elavazhagan S, Verma MK, Das ML, Wagh S, Balakrishnan A, Johnson BM, Santone KS, Thalody G, Denton R, Saminathan H, Holenarsipur VK, Kumar A, Rao A, Putlur SP, Sarvasiddhi SK, Shankar G, Louis JV, Ramarao M, Conway CM, Li YW, Pieschl R, Tian Y, Hong Y, Ditta J, Mathur A, Li J, Smith D, Pawluczyk J, Sun D, Yip S, Wu DR, Vetrichelvan M, Gupta A, Wilson A, Gopinathan S, Wason S, Bristow L, Albright CF, Bronson JJ, Macor JE, Dzierba CD.: Discovery of (S)-1-((2',6-Bis(difluoromethyl)-[2,4'-bipyridin]-5-yl)oxy)-2,4-dimethylpentan-2-amine (BMS-986176/LX-9211): A Highly Selective, CNS Penetrable, and Orally Active Adaptor Protein-2 Associated Kinase 1 Inhibitor in Clinical Trials for the Treatment of Neuropathic Pain. J Med Chem, Volume 65 (6), 2022 J Med Chem 2022 35257579
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Luo G, Chen L, Kostich WA, Hamman B, Allen J, Easton A,...
Luo G, Chen L, Kostich WA, Hamman B, Allen J, Easton A, Bourin C, Gulianello M, Lippy J, Nara S, Pattipati SN, Dandapani K, Dokania M, Vattikundala P, Sharma V, Elavazhagan S, Verma MK, Lal Das M, Wagh S, Balakrishnan A, Johnson BM, Santone KS, Thalody G, Denton R, Saminathan H, Holenarsipur VK, Kumar A, Rao A, Putlur SP, Sarvasiddhi SK, Shankar G, Louis JV, Ramarao M, Conway CM, Li YW, Pieschl R, Tian Y, Hong Y, Bristow L, Albright CF, Bronson JJ, Macor JE, Dzierba CD.
Discovery and Optimization of Biaryl Alkyl Ethers as a Novel Class of Highly Selective, CNS-Penetrable, and Orally... Luo G, Chen L, Kostich WA, Hamman B, Allen J, Easton A, Bourin C, Gulianello M, Lippy J, Nara S, Pattipati SN, Dandapani K, Dokania M, Vattikundala P, Sharma V, Elavazhagan S, Verma MK, Lal Das M, Wagh S, Balakrishnan A, Johnson BM, Santone KS, Thalody G, Denton R, Saminathan H, Holenarsipur VK, Kumar A, Rao A, Putlur SP, Sarvasiddhi SK, Shankar G, Louis JV, Ramarao M, Conway CM, Li YW, Pieschl R, Tian Y, Hong Y, Bristow L, Albright CF, Bronson JJ, Macor JE, Dzierba CD.: Discovery and Optimization of Biaryl Alkyl Ethers as a Novel Class of Highly Selective, CNS-Penetrable, and Orally Active Adaptor Protein-2-Associated Kinase 1 (AAK1) Inhibitors for the Potential Treatment of Neuropathic Pain. J Med Chem, Volume 65 (6), 2022 J Med Chem 2022 35261239
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Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q,...
Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.
Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation... Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017 Bioorg Med Chem 2017 28237559
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Luo L, Song Q, Li Y, Cao Z, Qiang X, Tan Z, Deng Y.
Luo L, Song Q, Li Y, Cao Z, Qiang X, Tan Z, Deng Y.
Design, synthesis and evaluation of phthalide alkyl tertiary amine derivatives as promising acetylcholinesterase... Luo L, Song Q, Li Y, Cao Z, Qiang X, Tan Z, Deng Y.: Design, synthesis and evaluation of phthalide alkyl tertiary amine derivatives as promising acetylcholinesterase inhibitors with high potency and selectivity against Alzheimer's disease. Bioorg Med Chem, Volume 28 (8), 2020 Bioorg Med Chem 2020 32146060
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Luo Z, Sheng J, Sun Y, Lu C, Yan J, Liu A, Luo HB, Huang L,...
Luo Z, Sheng J, Sun Y, Lu C, Yan J, Liu A, Luo HB, Huang L, Li X.
Synthesis and evaluation of multi-target-directed ligands against Alzheimer's disease based on the fusion of donepezil... Luo Z, Sheng J, Sun Y, Lu C, Yan J, Liu A, Luo HB, Huang L, Li X.: Synthesis and evaluation of multi-target-directed ligands against Alzheimer's disease based on the fusion of donepezil and ebselen. J Med Chem, Volume 56 (22), 2013 J Med Chem 2013 24160297
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Ly HV, Longo ML.
Ly HV, Longo ML.
The influence of short-chain alcohols on interfacial tension, mechanical properties, area/molecule, and permeability of... Ly HV, Longo ML.: The influence of short-chain alcohols on interfacial tension, mechanical properties, area/molecule, and permeability of fluid lipid bilayers. Biophys J, Volume 87 (2), 2004 Biophys J 2004 15298907
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Lynch SM, Tafesse L, Carlin K, Ghatak P, Kyle DJ.
Lynch SM, Tafesse L, Carlin K, Ghatak P, Kyle DJ.
Dibenzazepines and dibenzoxazepines as sodium channel blockers. Lynch SM, Tafesse L, Carlin K, Ghatak P, Kyle DJ.: Dibenzazepines and dibenzoxazepines as sodium channel blockers. Bioorg Med Chem Lett, Volume 25 (1), 2015 Bioorg Med Chem Lett 2015 25466191
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Lynch SM, Tafesse L, Carlin K, Ghatak P, Shao B, Abdelhamid...
Lynch SM, Tafesse L, Carlin K, Ghatak P, Shao B, Abdelhamid H, Kyle DJ.
N-Aryl azacycles as novel sodium channel blockers. Lynch SM, Tafesse L, Carlin K, Ghatak P, Shao B, Abdelhamid H, Kyle DJ.: N-Aryl azacycles as novel sodium channel blockers. Bioorg Med Chem Lett, Volume 25 (1), 2015 Bioorg Med Chem Lett 2015 25435147
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Ma B, Guckian KM, Liu XG, Yang C, Li B, Scannevin R,...
Ma B, Guckian KM, Liu XG, Yang C, Li B, Scannevin R, Mingueneau M, Drouillard A, Walzer T.
Novel Potent Selective Orally Active S1P5 Receptor Antagonists. Ma B, Guckian KM, Liu XG, Yang C, Li B, Scannevin R, Mingueneau M, Drouillard A, Walzer T.: Novel Potent Selective Orally Active S1P5 Receptor Antagonists. ACS Med Chem Lett, Volume 12 (3), 2021 ACS Med Chem Lett 2021 33738061
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Ma B, Zhang L, Sun L, Xin Z, Kumaravel G, Marcotte D,...
Ma B, Zhang L, Sun L, Xin Z, Kumaravel G, Marcotte D, Chodaparambil JV, Wang Q, Wehr A, Jing J, Hong VS, Wang T, Huang C, Shao Z, Mi S.
Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546. Ma B, Zhang L, Sun L, Xin Z, Kumaravel G, Marcotte D, Chodaparambil JV, Wang Q, Wehr A, Jing J, Hong VS, Wang T, Huang C, Shao Z, Mi S.: Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546. ACS Med Chem Lett, Volume 12 (7), 2021 ACS Med Chem Lett 2021 34267882
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Ma T, Zou F, Pusch S, Yang L, Zhu Q, Xu Y, Gu Y, von...
Ma T, Zou F, Pusch S, Yang L, Zhu Q, Xu Y, Gu Y, von Deimling A, Zha X.
Design, synthesis and biological activity of 3-pyrazine-2-yl-oxazolidin-2-ones as novel, potent and selective... Ma T, Zou F, Pusch S, Yang L, Zhu Q, Xu Y, Gu Y, von Deimling A, Zha X.: Design, synthesis and biological activity of 3-pyrazine-2-yl-oxazolidin-2-ones as novel, potent and selective inhibitors of mutant isocitrate dehydrogenase 1. Bioorg Med Chem, Volume 25 (24), 2017 Bioorg Med Chem 2017 29089260
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Ma Z, Lin DC, Sharma R, Liu J, Zhu L, Li AR, Kohn T, Wang...
Ma Z, Lin DC, Sharma R, Liu J, Zhu L, Li AR, Kohn T, Wang Y, Liu JJ, Bartberger MD, Medina JC, Zhuang R, Li F, Zhang J, Luo J, Wong S, Tonn GR, Houze JB.
Discovery of the imidazole-derived GPR40 agonist AM-3189. Ma Z, Lin DC, Sharma R, Liu J, Zhu L, Li AR, Kohn T, Wang Y, Liu JJ, Bartberger MD, Medina JC, Zhuang R, Li F, Zhang J, Luo J, Wong S, Tonn GR, Houze JB.: Discovery of the imidazole-derived GPR40 agonist AM-3189. Bioorg Med Chem Lett, Volume 26 (1), 2016 Bioorg Med Chem Lett 2016 26620255
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Maalej E, Chabchoub F, Oset-Gasque MJ, Esquivias-Pérez M,...
Maalej E, Chabchoub F, Oset-Gasque MJ, Esquivias-Pérez M, González MP, Monjas L, Pérez C, de los Ríos C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Romero A, Marco-Contelles J, Samadi A.
Synthesis, biological assessment, and molecular modeling of racemic... Maalej E, Chabchoub F, Oset-Gasque MJ, Esquivias-Pérez M, González MP, Monjas L, Pérez C, de los Ríos C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Romero A, Marco-Contelles J, Samadi A.: Synthesis, biological assessment, and molecular modeling of racemic 7-aryl-9,10,11,12-tetrahydro-7H-benzo[7,8]chromeno[2,3-b]quinolin-8-amines as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 54, 2012 Eur J Med Chem 2012 22795665
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Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P,...
Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.
Discovery and structure-based optimization of adenain inhibitors. Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014 ACS Med Chem Lett 2014 25147618
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Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A,...
Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A, Dasso Lang MC, Zamperini C, Dreassi E, Rossolini GM, Docquier JD, Botta M.
Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A, Dasso Lang MC, Zamperini C, Dreassi E, Rossolini GM, Docquier JD, Botta M.: Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. Bioorg Med Chem Lett, Volume 24 (23), 2014 Bioorg Med Chem Lett 2014 25455183
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Macdonald JD, Chacón Simon S, Han C, Wang F, Shaw JG,...
Macdonald JD, Chacón Simon S, Han C, Wang F, Shaw JG, Howes JE, Sai J, Yuh JP, Camper D, Alicie BM, Alvarado J, Nikhar S, Payne W, Aho ER, Bauer JA, Zhao B, Phan J, Thomas LR, Rossanese OW, Tansey WP, Waterson AG, Stauffer SR, Fesik SW.
Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC... Macdonald JD, Chacón Simon S, Han C, Wang F, Shaw JG, Howes JE, Sai J, Yuh JP, Camper D, Alicie BM, Alvarado J, Nikhar S, Payne W, Aho ER, Bauer JA, Zhao B, Phan J, Thomas LR, Rossanese OW, Tansey WP, Waterson AG, Stauffer SR, Fesik SW.: Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J Med Chem, Volume 62 (24), 2019 J Med Chem 2019 31724864
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Machado V, Cenci AR, Teixeira KF, Sens L, Tizziani T, Nunes...
Machado V, Cenci AR, Teixeira KF, Sens L, Tizziani T, Nunes RJ, Ferreira LLG, Yunes RA, Sandjo LP, Andricopulo AD, de Oliveira AS.
Pyrazolines as potential anti-Alzheimer's agents: DFT, molecular docking, enzyme inhibition and pharmacokinetic studies. Machado V, Cenci AR, Teixeira KF, Sens L, Tizziani T, Nunes RJ, Ferreira LLG, Yunes RA, Sandjo LP, Andricopulo AD, de Oliveira AS.: Pyrazolines as potential anti-Alzheimer's agents: DFT, molecular docking, enzyme inhibition and pharmacokinetic studies. RSC Med Chem, Volume 13 (12), 2022 RSC Med Chem 2022 36561075
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Mackman RL, Hui HC, Perron M, Murakami E, Palmiotti C, Lee...
Mackman RL, Hui HC, Perron M, Murakami E, Palmiotti C, Lee G, Stray K, Zhang L, Goyal B, Chun K, Byun D, Siegel D, Simonovich S, Du Pont V, Pitts J, Babusis D, Vijjapurapu A, Lu X, Kim C, Zhao X, Chan J, Ma B, Lye D, Vandersteen A, Wortman S, Barrett KT, Toteva M, Jordan R, Subramanian R, Bilello JP, Cihlar T.
Prodrugs of a 1'-CN-4-Aza-7,9-dideazaadenosine C-Nucleoside Leading to the Discovery of Remdesivir (GS-5734) as... Mackman RL, Hui HC, Perron M, Murakami E, Palmiotti C, Lee G, Stray K, Zhang L, Goyal B, Chun K, Byun D, Siegel D, Simonovich S, Du Pont V, Pitts J, Babusis D, Vijjapurapu A, Lu X, Kim C, Zhao X, Chan J, Ma B, Lye D, Vandersteen A, Wortman S, Barrett KT, Toteva M, Jordan R, Subramanian R, Bilello JP, Cihlar T.: Prodrugs of a 1'-CN-4-Aza-7,9-dideazaadenosine C-Nucleoside Leading to the Discovery of Remdesivir (GS-5734) as a Potent Inhibitor of Respiratory Syncytial Virus with Efficacy in the African Green Monkey Model of RSV. J Med Chem, Volume 64 (8), 2021 J Med Chem 2021 33835812
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Mackman RL, Mish M, Chin G, Perry JK, Appleby T,...
Mackman RL, Mish M, Chin G, Perry JK, Appleby T, Aktoudianakis V, Metobo S, Pyun P, Niu C, Daffis S, Yu H, Zheng J, Villasenor AG, Zablocki J, Chamberlain J, Jin H, Lee G, Suekawa-Pirrone K, Santos R, Delaney WE, Fletcher SP.
Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of... Mackman RL, Mish M, Chin G, Perry JK, Appleby T, Aktoudianakis V, Metobo S, Pyun P, Niu C, Daffis S, Yu H, Zheng J, Villasenor AG, Zablocki J, Chamberlain J, Jin H, Lee G, Suekawa-Pirrone K, Santos R, Delaney WE, Fletcher SP.: Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B. J Med Chem, Volume 63 (18), 2020 J Med Chem 2020 32407112
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Mackman RL, Sangi M, Sperandio D, Parrish JP, Eisenberg E,...
Mackman RL, Sangi M, Sperandio D, Parrish JP, Eisenberg E, Perron M, Hui H, Zhang L, Siegel D, Yang H, Saunders O, Boojamra C, Lee G, Samuel D, Babaoglu K, Carey A, Gilbert BE, Piedra PA, Strickley R, Iwata Q, Hayes J, Stray K, Kinkade A, Theodore D, Jordan R, Desai M, Cihlar T.
Discovery of an oral respiratory syncytial virus (RSV) fusion inhibitor (GS-5806) and clinical proof of concept in a... Mackman RL, Sangi M, Sperandio D, Parrish JP, Eisenberg E, Perron M, Hui H, Zhang L, Siegel D, Yang H, Saunders O, Boojamra C, Lee G, Samuel D, Babaoglu K, Carey A, Gilbert BE, Piedra PA, Strickley R, Iwata Q, Hayes J, Stray K, Kinkade A, Theodore D, Jordan R, Desai M, Cihlar T.: Discovery of an oral respiratory syncytial virus (RSV) fusion inhibitor (GS-5806) and clinical proof of concept in a human RSV challenge study. J Med Chem, Volume 58 (4), 2015 J Med Chem 2015 25574686
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Mackman RL, Steadman VA, Dean DK, Jansa P, Poullennec KG,...
Mackman RL, Steadman VA, Dean DK, Jansa P, Poullennec KG, Appleby T, Austin C, Blakemore CA, Cai R, Cannizzaro C, Chin G, Chiva JC, Dunbar NA, Fliri H, Highton AJ, Hui H, Ji M, Jin H, Karki K, Keats AJ, Lazarides L, Lee YJ, Liclican A, Mish M, Murray B, Pettit SB, Pyun P, Sangi M, Santos R, Sanvoisin J, Schmitz U, Schrier A, Siegel D, Sperandio D, Stepan G, Tian Y, Watt GM, Yang H, Schultz BE.
Discovery of a Potent and Orally Bioavailable Cyclophilin Inhibitor Derived from the Sanglifehrin Macrocycle. Mackman RL, Steadman VA, Dean DK, Jansa P, Poullennec KG, Appleby T, Austin C, Blakemore CA, Cai R, Cannizzaro C, Chin G, Chiva JC, Dunbar NA, Fliri H, Highton AJ, Hui H, Ji M, Jin H, Karki K, Keats AJ, Lazarides L, Lee YJ, Liclican A, Mish M, Murray B, Pettit SB, Pyun P, Sangi M, Santos R, Sanvoisin J, Schmitz U, Schrier A, Siegel D, Sperandio D, Stepan G, Tian Y, Watt GM, Yang H, Schultz BE.: Discovery of a Potent and Orally Bioavailable Cyclophilin Inhibitor Derived from the Sanglifehrin Macrocycle. J Med Chem, Volume 61 (21), 2018 J Med Chem 2018 30074795
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Macsari I, Besidski Y, Csjernyik G, Nilsson LI, Sandberg L,...
Macsari I, Besidski Y, Csjernyik G, Nilsson LI, Sandberg L, Yngve U, Ahlin K, Bueters T, Eriksson AB, Lund PE, Venyike E, Oerther S, Hygge Blakeman K, Luo L, Arvidsson PI.
3-Oxoisoindoline-1-carboxamides: potent, state-dependent blockers of voltage-gated sodium channel Na(V)1.7 with... Macsari I, Besidski Y, Csjernyik G, Nilsson LI, Sandberg L, Yngve U, Ahlin K, Bueters T, Eriksson AB, Lund PE, Venyike E, Oerther S, Hygge Blakeman K, Luo L, Arvidsson PI.: 3-Oxoisoindoline-1-carboxamides: potent, state-dependent blockers of voltage-gated sodium channel Na(V)1.7 with efficacy in rat pain models. J Med Chem, Volume 55 (15), 2012 J Med Chem 2012 22770500
Total substances: 2
Total passive interactions: 0
Total active interactions: 6
Srinivas Maddi, Shravan Kumar Yamsani, Adukondalu Devandla,...
Srinivas Maddi, Shravan Kumar Yamsani, Adukondalu Devandla, Gerhard Scriba & Madhusudan Rao Yamsani
Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat... Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4 Medicinal Chemistry Research 2013 10.1007/s00044-...
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Mäder P, Kattner L.
Mäder P, Kattner L.
Sulfoximines as Rising Stars in Modern Drug Discovery? Current Status and Perspective on an Emerging Functional Group... Mäder P, Kattner L.: Sulfoximines as Rising Stars in Modern Drug Discovery? Current Status and Perspective on an Emerging Functional Group in Medicinal Chemistry. J Med Chem, Volume 63 (23), 2020 J Med Chem 2020 32870008
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Maeda T, Takahashi K, Ohtsu N, Oguma T, Ohnishi T, Atsumi...
Maeda T, Takahashi K, Ohtsu N, Oguma T, Ohnishi T, Atsumi R, Tamai I.
Identification of influx transporter for the quinolone antibacterial agent levofloxacin. Maeda T, Takahashi K, Ohtsu N, Oguma T, Ohnishi T, Atsumi R, Tamai I.: Identification of influx transporter for the quinolone antibacterial agent levofloxacin. Mol Pharm, Volume 4 (1), 2007 Mol Pharm 2007 17274666
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Maemoto M, Hirata Y, Hosoe S, Ouchi J, Narushima K, Akizawa...
Maemoto M, Hirata Y, Hosoe S, Ouchi J, Narushima K, Akizawa E, Tsuji Y, Takada H, Yanagisawa A, Shuto S.
Discovery of Gut-Restricted Small-Molecule Inhibitors of Intestinal Sodium-Dependent Phosphate Transport Protein 2b... Maemoto M, Hirata Y, Hosoe S, Ouchi J, Narushima K, Akizawa E, Tsuji Y, Takada H, Yanagisawa A, Shuto S.: Discovery of Gut-Restricted Small-Molecule Inhibitors of Intestinal Sodium-Dependent Phosphate Transport Protein 2b (NaPi2b) for the Treatment of Hyperphosphatemia. J Med Chem, Volume 65 (3), 2022 J Med Chem 2022 35034442
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Magotra A, Gour A, Sharma DK, Dash AK, Singh G, Mukherjee...
Magotra A, Gour A, Sharma DK, Dash AK, Singh G, Mukherjee D, Nandi U.
Pharmacokinetic evaluation of medicinally important synthetic N,N' diindolylmethane glucoside: Improved synthesis and... Magotra A, Gour A, Sharma DK, Dash AK, Singh G, Mukherjee D, Nandi U.: Pharmacokinetic evaluation of medicinally important synthetic N,N' diindolylmethane glucoside: Improved synthesis and metabolic stability. Bioorg Med Chem Lett, Volume 29 (8), 2019 Bioorg Med Chem Lett 2019 30777609
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Mahalingam AK, Axelsson L, Ekegren JK, Wannberg J,...
Mahalingam AK, Axelsson L, Ekegren JK, Wannberg J, Kihlström J, Unge T, Wallberg H, Samuelsson B, Larhed M, Hallberg A.
HIV-1 protease inhibitors with a transition-state mimic comprising a tertiary alcohol: improved antiviral activity in... Mahalingam AK, Axelsson L, Ekegren JK, Wannberg J, Kihlström J, Unge T, Wallberg H, Samuelsson B, Larhed M, Hallberg A.: HIV-1 protease inhibitors with a transition-state mimic comprising a tertiary alcohol: improved antiviral activity in cells. J Med Chem, Volume 53 (2), 2010 J Med Chem 2010 19961222
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Mahaney PE, Gavrin LK, Trybulski EJ, Stack GP, Vu TA, Cohn...
Mahaney PE, Gavrin LK, Trybulski EJ, Stack GP, Vu TA, Cohn ST, Ye F, Belardi JK, Santilli AA, Sabatucci JP, Leiter J, Johnston GH, Bray JA, Burroughs KD, Cosmi SA, Leventhal L, Koury EJ, Zhang Y, Mugford CA, Ho DM, Rosenzweig-Lipson SJ, Platt B, Smith VA, Deecher DC.
Structure-activity relationships of the cycloalkanol ethylamine scaffold: discovery of selective norepinephrine... Mahaney PE, Gavrin LK, Trybulski EJ, Stack GP, Vu TA, Cohn ST, Ye F, Belardi JK, Santilli AA, Sabatucci JP, Leiter J, Johnston GH, Bray JA, Burroughs KD, Cosmi SA, Leventhal L, Koury EJ, Zhang Y, Mugford CA, Ho DM, Rosenzweig-Lipson SJ, Platt B, Smith VA, Deecher DC.: Structure-activity relationships of the cycloalkanol ethylamine scaffold: discovery of selective norepinephrine reuptake inhibitors. J Med Chem, Volume 51 (13), 2008 J Med Chem 2008 18557608
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine...
Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.
Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed... Mahar Doan KM, Humphreys JE, Webster LO, Wring SA, Shampine LJ, Serabjit-Singh CJ, Adkison KK, Polli JW.: Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther, Volume 303 (3), 1029-1037, 2002 J Pharmacol Exp Ther 2002 12438524
Total substances: 80
Total passive interactions: 80
Total active interactions: 0
Mahindroo N, Connelly MC, Punchihewa C, Yang L, Yan B,...
Mahindroo N, Connelly MC, Punchihewa C, Yang L, Yan B, Fujii N.
Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. Mahindroo N, Connelly MC, Punchihewa C, Yang L, Yan B, Fujii N.: Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. Bioorg Med Chem, Volume 18 (13), 2010 Bioorg Med Chem 2010 20605720
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Mainolfi N, Ehara T, Karki RG, Anderson K, Mac Sweeney A,...
Mainolfi N, Ehara T, Karki RG, Anderson K, Mac Sweeney A, Liao SM, Argikar UA, Jendza K, Zhang C, Powers J, Klosowski DW, Crowley M, Kawanami T, Ding J, April M, Forster C, Serrano-Wu M, Capparelli M, Ramqaj R, Solovay C, Cumin F, Smith TM, Ferrara L, Lee W, Long D, Prentiss M, De Erkenez A, Yang L, Liu F, Sellner H, Sirockin F, Valeur E, Erbel P, Ostermeier D, Ramage P, Gerhartz B, Schubart A, Flohr S, Gradoux N, Feifel R, Vogg B, Wiesmann C, Maibaum J, Eder J, Sedrani R, Harrison RA, Mogi M, Jaffee BD, Adams CM.
Discovery of... Mainolfi N, Ehara T, Karki RG, Anderson K, Mac Sweeney A, Liao SM, Argikar UA, Jendza K, Zhang C, Powers J, Klosowski DW, Crowley M, Kawanami T, Ding J, April M, Forster C, Serrano-Wu M, Capparelli M, Ramqaj R, Solovay C, Cumin F, Smith TM, Ferrara L, Lee W, Long D, Prentiss M, De Erkenez A, Yang L, Liu F, Sellner H, Sirockin F, Valeur E, Erbel P, Ostermeier D, Ramage P, Gerhartz B, Schubart A, Flohr S, Gradoux N, Feifel R, Vogg B, Wiesmann C, Maibaum J, Eder J, Sedrani R, Harrison RA, Mogi M, Jaffee BD, Adams CM.: Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J Med Chem, Volume 63 (11), 2020 J Med Chem 2020 32073845
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Mak L, Marcus D, Howlett A, Yarova G, Duchateau G, Klaffke...
Mak L, Marcus D, Howlett A, Yarova G, Duchateau G, Klaffke W, Bender A, Glen RC.
Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR... Mak L, Marcus D, Howlett A, Yarova G, Duchateau G, Klaffke W, Bender A, Glen RC.: Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J Cheminform, Volume 7, 31, 2015 J Cheminform 2015 26106450
Total substances: 385
Total passive interactions: 0
Total active interactions: 706
Makielski JC, Limberis J, Fan Z, Kyle JW.
Makielski JC, Limberis J, Fan Z, Kyle JW.
Intrinsic lidocaine affinity for Na channels expressed in Xenopus oocytes depends on alpha (hH1 vs. rSkM1) and beta 1... Makielski JC, Limberis J, Fan Z, Kyle JW.: Intrinsic lidocaine affinity for Na channels expressed in Xenopus oocytes depends on alpha (hH1 vs. rSkM1) and beta 1 subunits. Cardiovasc Res, Volume 42 (2), 1999 Cardiovasc Res 1999 10533585
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Total passive interactions: 0
Total active interactions: 1
Malakoutikhah M, Prades R, Teixidó M, Giralt E.
Malakoutikhah M, Prades R, Teixidó M, Giralt E.
N-methyl phenylalanine-rich peptides as highly versatile blood-brain barrier shuttles. Malakoutikhah M, Prades R, Teixidó M, Giralt E.: N-methyl phenylalanine-rich peptides as highly versatile blood-brain barrier shuttles. J Med Chem, Volume 53 (6), 2010 J Med Chem 2010 20170117
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Malakoutikhah M, Teixidó M, Giralt E.
Malakoutikhah M, Teixidó M, Giralt E.
Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008 J Med Chem 2008 18666771
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Malek R, Arribas RL, Palomino-Antolin A, Totoson P,...
Malek R, Arribas RL, Palomino-Antolin A, Totoson P, Demougeot C, Kobrlova T, Soukup O, Iriepa I, Moraleda I, Diez-Iriepa D, Godyń J, Panek D, Malawska B, Głuch-Lutwin M, Mordyl B, Siwek A, Chabchoub F, Marco-Contelles J, Kiec-Kononowicz K, Egea J, de Los Ríos C, Ismaili L.
New Dual Small Molecules for Alzheimer's Disease Therapy Combining Histamine H3 Receptor (H3R) Antagonism... Malek R, Arribas RL, Palomino-Antolin A, Totoson P, Demougeot C, Kobrlova T, Soukup O, Iriepa I, Moraleda I, Diez-Iriepa D, Godyń J, Panek D, Malawska B, Głuch-Lutwin M, Mordyl B, Siwek A, Chabchoub F, Marco-Contelles J, Kiec-Kononowicz K, Egea J, de Los Ríos C, Ismaili L.: New Dual Small Molecules for Alzheimer's Disease Therapy Combining Histamine H3 Receptor (H3R) Antagonism and Calcium Channels Blockade with Additional Cholinesterase Inhibition. J Med Chem, Volume 62 (24), 2019 J Med Chem 2019 31724859
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Mallinger A, Crumpler S, Pichowicz M, Waalboer D, Stubbs M,...
Mallinger A, Crumpler S, Pichowicz M, Waalboer D, Stubbs M, Adeniji-Popoola O, Wood B, Smith E, Thai C, Henley AT, Georgi K, Court W, Hobbs S, Box G, Ortiz-Ruiz MJ, Valenti M, De Haven Brandon A, TePoele R, Leuthner B, Workman P, Aherne W, Poeschke O, Dale T, Wienke D, Esdar C, Rohdich F, Raynaud F, Clarke PA, Eccles SA, Stieber F, Schiemann K, Blagg J.
Discovery of potent, orally bioavailable, small-molecule inhibitors of WNT signaling from a cell-based pathway screen. Mallinger A, Crumpler S, Pichowicz M, Waalboer D, Stubbs M, Adeniji-Popoola O, Wood B, Smith E, Thai C, Henley AT, Georgi K, Court W, Hobbs S, Box G, Ortiz-Ruiz MJ, Valenti M, De Haven Brandon A, TePoele R, Leuthner B, Workman P, Aherne W, Poeschke O, Dale T, Wienke D, Esdar C, Rohdich F, Raynaud F, Clarke PA, Eccles SA, Stieber F, Schiemann K, Blagg J.: Discovery of potent, orally bioavailable, small-molecule inhibitors of WNT signaling from a cell-based pathway screen. J Med Chem, Volume 58 (4), 2015 J Med Chem 2015 25680029
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Mallinger A, Schiemann K, Rink C, Sejberg J, Honey MA,...
Mallinger A, Schiemann K, Rink C, Sejberg J, Honey MA, Czodrowski P, Stubbs M, Poeschke O, Busch M, Schneider R, Schwarz D, Musil D, Burke R, Urbahns K, Workman P, Wienke D, Clarke PA, Raynaud FI, Eccles SA, Esdar C, Rohdich F, Blagg J.
2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19. Mallinger A, Schiemann K, Rink C, Sejberg J, Honey MA, Czodrowski P, Stubbs M, Poeschke O, Busch M, Schneider R, Schwarz D, Musil D, Burke R, Urbahns K, Workman P, Wienke D, Clarke PA, Raynaud FI, Eccles SA, Esdar C, Rohdich F, Blagg J.: 2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19. ACS Med Chem Lett, Volume 7 (6), 2016 ACS Med Chem Lett 2016 27326329
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Malmström J, Viklund J, Slivo C, Costa A, Maudet M,...
Malmström J, Viklund J, Slivo C, Costa A, Maudet M, Sandelin C, Hiller G, Olsson LL, Aagaard A, Geschwindner S, Xue Y, Vasänge M.
Synthesis and structure-activity relationship of 4-(1,3-benzothiazol-2-yl)-thiophene-2-sulfonamides as cyclin-dependent... Malmström J, Viklund J, Slivo C, Costa A, Maudet M, Sandelin C, Hiller G, Olsson LL, Aagaard A, Geschwindner S, Xue Y, Vasänge M.: Synthesis and structure-activity relationship of 4-(1,3-benzothiazol-2-yl)-thiophene-2-sulfonamides as cyclin-dependent kinase 5 (cdk5)/p25 inhibitors. Bioorg Med Chem Lett, Volume 22 (18), 2012 Bioorg Med Chem Lett 2012 22889803
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Maloney PR, Khan P, Hedrick M, Gosalia P, Milewski M, Li L,...
Maloney PR, Khan P, Hedrick M, Gosalia P, Milewski M, Li L, Roth GP, Sergienko E, Suyama E, Sugarman E, Nguyen K, Mehta A, Vasile S, Su Y, Stonich D, Nguyen H, Zeng FY, Novo AM, Vicchiarelli M, Diwan J, Chung TD, Smith LH, Pinkerton AB.
Discovery of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate (ML221) as a functional antagonist of... Maloney PR, Khan P, Hedrick M, Gosalia P, Milewski M, Li L, Roth GP, Sergienko E, Suyama E, Sugarman E, Nguyen K, Mehta A, Vasile S, Su Y, Stonich D, Nguyen H, Zeng FY, Novo AM, Vicchiarelli M, Diwan J, Chung TD, Smith LH, Pinkerton AB.: Discovery of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate (ML221) as a functional antagonist of the apelin (APJ) receptor. Bioorg Med Chem Lett, Volume 22 (21), 2012 Bioorg Med Chem Lett 2012 23010269
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Mammoliti O, Jansen K, El Bkassiny S, Palisse A, Triballeau...
Mammoliti O, Jansen K, El Bkassiny S, Palisse A, Triballeau N, Bucher D, Allart B, Jaunet A, Tricarico G, De Wachter M, Menet C, Blanc J, Letfus V, Rupčić R, Šmehil M, Poljak T, Coornaert B, Sonck K, Duys I, Waeckel L, Lecru L, Marsais F, Jagerschmidt C, Auberval M, Pujuguet P, Oste L, Borgonovi M, Wakselman E, Christophe T, Houvenaghel N, Jans M, Heckmann B, Sanière L, Brys R.
Discovery and Optimization of Orally Bioavailable Phthalazone and Cinnolone Carboxylic Acid Derivatives as S1P2... Mammoliti O, Jansen K, El Bkassiny S, Palisse A, Triballeau N, Bucher D, Allart B, Jaunet A, Tricarico G, De Wachter M, Menet C, Blanc J, Letfus V, Rupčić R, Šmehil M, Poljak T, Coornaert B, Sonck K, Duys I, Waeckel L, Lecru L, Marsais F, Jagerschmidt C, Auberval M, Pujuguet P, Oste L, Borgonovi M, Wakselman E, Christophe T, Houvenaghel N, Jans M, Heckmann B, Sanière L, Brys R.: Discovery and Optimization of Orally Bioavailable Phthalazone and Cinnolone Carboxylic Acid Derivatives as S1P2 Antagonists against Fibrotic Diseases. J Med Chem, Volume 64 (19), 2021 J Med Chem 2021 34581584
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Mandagere AK, Thompson TN, Hwang KK.
Mandagere AK, Thompson TN, Hwang KK.
Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability... Mandagere AK, Thompson TN, Hwang KK.: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. J Med Chem, Volume 45 (2), 2002 J Med Chem 2002 11784135
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Mandal M, Wu Y, Misiaszek J, Li G, Buevich A, Caldwell JP,...
Mandal M, Wu Y, Misiaszek J, Li G, Buevich A, Caldwell JP, Liu X, Mazzola RD, Orth P, Strickland C, Voigt J, Wang H, Zhu Z, Chen X, Grzelak M, Hyde LA, Kuvelkar R, Leach PT, Terracina G, Zhang L, Zhang Q, Michener MS, Smith B, Cox K, Grotz D, Favreau L, Mitra K, Kazakevich I, McKittrick BA, Greenlee W, Kennedy ME, Parker EM, Cumming JN, Stamford AW.
Structure-Based Design of an Iminoheterocyclic β-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that... Mandal M, Wu Y, Misiaszek J, Li G, Buevich A, Caldwell JP, Liu X, Mazzola RD, Orth P, Strickland C, Voigt J, Wang H, Zhu Z, Chen X, Grzelak M, Hyde LA, Kuvelkar R, Leach PT, Terracina G, Zhang L, Zhang Q, Michener MS, Smith B, Cox K, Grotz D, Favreau L, Mitra K, Kazakevich I, McKittrick BA, Greenlee W, Kennedy ME, Parker EM, Cumming JN, Stamford AW.: Structure-Based Design of an Iminoheterocyclic β-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central Aβ in Nonhuman Primates. J Med Chem, Volume 59 (7), 2016 J Med Chem 2016 26937601
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Mandal M, Zhu Z, Cumming JN, Liu X, Strickland C, Mazzola...
Mandal M, Zhu Z, Cumming JN, Liu X, Strickland C, Mazzola RD, Caldwell JP, Leach P, Grzelak M, Hyde L, Zhang Q, Terracina G, Zhang L, Chen X, Kuvelkar R, Kennedy ME, Favreau L, Cox K, Orth P, Buevich A, Voigt J, Wang H, Kazakevich I, McKittrick BA, Greenlee W, Parker EM, Stamford AW.
Design and validation of bicyclic iminopyrimidinones as beta amyloid cleaving enzyme-1 (BACE1) inhibitors:... Mandal M, Zhu Z, Cumming JN, Liu X, Strickland C, Mazzola RD, Caldwell JP, Leach P, Grzelak M, Hyde L, Zhang Q, Terracina G, Zhang L, Chen X, Kuvelkar R, Kennedy ME, Favreau L, Cox K, Orth P, Buevich A, Voigt J, Wang H, Kazakevich I, McKittrick BA, Greenlee W, Parker EM, Stamford AW.: Design and validation of bicyclic iminopyrimidinones as beta amyloid cleaving enzyme-1 (BACE1) inhibitors: conformational constraint to favor a bioactive conformation. J Med Chem, Volume 55 (21), 2012 J Med Chem 2012 22989333
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Mandery K, Bujok K, Schmidt I, Keiser M, Siegmund W, Balk...
Mandery K, Bujok K, Schmidt I, Keiser M, Siegmund W, Balk B, König J, Fromm MF, Glaeser H.
Influence of the flavonoids apigenin, kaempferol, and quercetin on the function of organic anion transporting... Mandery K, Bujok K, Schmidt I, Keiser M, Siegmund W, Balk B, König J, Fromm MF, Glaeser H.: Influence of the flavonoids apigenin, kaempferol, and quercetin on the function of organic anion transporting polypeptides 1A2 and 2B1. Biochem Pharmacol, Volume 80 (11), 2010 Biochem Pharmacol 2010 20797388
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Mandery K, Glaeser H, Fromm MF.
Mandery K, Glaeser H, Fromm MF.
Interaction of innovative small molecule drugs used for cancer therapy with drug transporters. Mandery K, Glaeser H, Fromm MF.: Interaction of innovative small molecule drugs used for cancer therapy with drug transporters. Br J Pharmacol, Volume 165 (2), 2012 Br J Pharmacol 2012 21827448
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Manfroni G, Manvar D, Barreca ML, Kaushik-Basu N, Leyssen...
Manfroni G, Manvar D, Barreca ML, Kaushik-Basu N, Leyssen P, Paeshuyse J, Cannalire R, Iraci N, Basu A, Chudaev M, Zamperini C, Dreassi E, Sabatini S, Tabarrini O, Neyts J, Cecchetti V.
New pyrazolobenzothiazine derivatives as hepatitis C virus NS5B polymerase palm site I inhibitors. Manfroni G, Manvar D, Barreca ML, Kaushik-Basu N, Leyssen P, Paeshuyse J, Cannalire R, Iraci N, Basu A, Chudaev M, Zamperini C, Dreassi E, Sabatini S, Tabarrini O, Neyts J, Cecchetti V.: New pyrazolobenzothiazine derivatives as hepatitis C virus NS5B polymerase palm site I inhibitors. J Med Chem, Volume 57 (8), 2014 J Med Chem 2014 24654886
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Manning Fox JE, Meredith D, Halestrap AP.
Manning Fox JE, Meredith D, Halestrap AP.
Characterisation of human monocarboxylate transporter 4 substantiates its role in lactic acid efflux from skeletal... Manning Fox JE, Meredith D, Halestrap AP.: Characterisation of human monocarboxylate transporter 4 substantiates its role in lactic acid efflux from skeletal muscle. J Physiol, Volume 529 Pt 2, 2000 J Physiol 2000 11101640
Total substances: 8
Total passive interactions: 0
Total active interactions: 8
Mansoor UF, Angeles AR, Dai C, Yang L, Vitharana D, Basso...
Mansoor UF, Angeles AR, Dai C, Yang L, Vitharana D, Basso AD, Gray K, Tang H, Liu M, Liang L, Allbritton O, Siddiqui MA.
Discovery of novel spiro 1,3,4-thiadiazolines as potent, orally bioavailable and brain penetrant KSP inhibitors. Mansoor UF, Angeles AR, Dai C, Yang L, Vitharana D, Basso AD, Gray K, Tang H, Liu M, Liang L, Allbritton O, Siddiqui MA.: Discovery of novel spiro 1,3,4-thiadiazolines as potent, orally bioavailable and brain penetrant KSP inhibitors. Bioorg Med Chem, Volume 23 (10), 2015 Bioorg Med Chem 2015 25868746
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Mantell SJ, Stephenson PT, Monaghan SM, Maw GN, Trevethick...
Mantell SJ, Stephenson PT, Monaghan SM, Maw GN, Trevethick MA, Yeadon M, Keir RF, Walker DK, Jones RM, Selby MD, Batchelor DV, Rozze S, Chavaroche H, Hobson TJ, Dodd PG, Lemaitre A, Wright KN, Stuart EF.
Inhaled adenosine A(2A) receptor agonists for the treatment of chronic obstructive pulmonary disease. Mantell SJ, Stephenson PT, Monaghan SM, Maw GN, Trevethick MA, Yeadon M, Keir RF, Walker DK, Jones RM, Selby MD, Batchelor DV, Rozze S, Chavaroche H, Hobson TJ, Dodd PG, Lemaitre A, Wright KN, Stuart EF.: Inhaled adenosine A(2A) receptor agonists for the treatment of chronic obstructive pulmonary disease. Bioorg Med Chem Lett, Volume 18 (4), 2008 Bioorg Med Chem Lett 2008 18243699
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Marada VV, Flörl S, Kühne A, Burckhardt G, Hagos Y.
Marada VV, Flörl S, Kühne A, Burckhardt G, Hagos Y.
Interaction of human organic anion transporter polypeptides 1B1 and 1B3 with antineoplastic compounds. Marada VV, Flörl S, Kühne A, Burckhardt G, Hagos Y.: Interaction of human organic anion transporter polypeptides 1B1 and 1B3 with antineoplastic compounds. Eur J Med Chem, Volume 92, 2015 Eur J Med Chem 2015 25618019
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Marchais-Oberwinkler S, Wetzel M, Ziegler E, Kruchten P,...
Marchais-Oberwinkler S, Wetzel M, Ziegler E, Kruchten P, Werth R, Henn C, Hartmann RW, Frotscher M.
New drug-like hydroxyphenylnaphthol steroidomimetics as potent and selective 17β-hydroxysteroid dehydrogenase type 1... Marchais-Oberwinkler S, Wetzel M, Ziegler E, Kruchten P, Werth R, Henn C, Hartmann RW, Frotscher M.: New drug-like hydroxyphenylnaphthol steroidomimetics as potent and selective 17β-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of estrogen-dependent diseases. J Med Chem, Volume 54 (2), 2011 J Med Chem 2011 21189020
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Marchand S, Gobin P, Brillault J, Baptista S, Adier C,...
Marchand S, Gobin P, Brillault J, Baptista S, Adier C, Olivier JC, Mimoz O, Couet W.
Aerosol therapy with colistin methanesulfonate: a biopharmaceutical issue illustrated in rats. Marchand S, Gobin P, Brillault J, Baptista S, Adier C, Olivier JC, Mimoz O, Couet W.: Aerosol therapy with colistin methanesulfonate: a biopharmaceutical issue illustrated in rats. Antimicrob Agents Chemother, Volume 54 (9), 2010 Antimicrob Agents Chemother 2010 20547787
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Marco-Contelles J, León R, de los Ríos C, Samadi A,...
Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.
Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of... Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009 J Med Chem 2009 19374444
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Marcoux D, Bertrand MB, Weigelt CA, Yip S, Galella M, Park...
Marcoux D, Bertrand MB, Weigelt CA, Yip S, Galella M, Park H, Wu DR, Wang J, Yarde M, Cvijic ME, Li S, Hynes J, Tino JA, Zhao Q, Dhar TGM.
Annulation reaction enables the identification of an exocyclic amide tricyclic chemotype as retinoic acid... Marcoux D, Bertrand MB, Weigelt CA, Yip S, Galella M, Park H, Wu DR, Wang J, Yarde M, Cvijic ME, Li S, Hynes J, Tino JA, Zhao Q, Dhar TGM.: Annulation reaction enables the identification of an exocyclic amide tricyclic chemotype as retinoic acid Receptor-Related orphan receptor gamma (RORγ/RORc) inverse agonists. Bioorg Med Chem Lett, Volume 30 (19), 2020 Bioorg Med Chem Lett 2020 32763309
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Marcoux D, Duan JJ, Shi Q, Cherney RJ, Srivastava AS,...
Marcoux D, Duan JJ, Shi Q, Cherney RJ, Srivastava AS, Cornelius L, Batt DG, Liu Q, Beaudoin-Bertrand M, Weigelt CA, Khandelwal P, Vishwakrishnan S, Selvakumar K, Karmakar A, Gupta AK, Basha M, Ramlingam S, Manjunath N, Vanteru S, Karmakar S, Maddala N, Vetrichelvan M, Gupta A, Rampulla RA, Mathur A, Yip S, Li P, Wu DR, Khan J, Ruzanov M, Sack JS, Wang J, Yarde M, Cvijic ME, Li S, Shuster DJ, Borowski V, Xie JH, McIntyre KW, Obermeier MT, Fura A, Stefanski K, Cornelius G, Hynes J, Tino JA, Macor JE, Salter-Cid L, Denton R, Zhao Q, Carter PH, Dhar TGM.
Rationally Designed, Conformationally Constrained Inverse Agonists of RORγt-Identification of a Potent, Selective... Marcoux D, Duan JJ, Shi Q, Cherney RJ, Srivastava AS, Cornelius L, Batt DG, Liu Q, Beaudoin-Bertrand M, Weigelt CA, Khandelwal P, Vishwakrishnan S, Selvakumar K, Karmakar A, Gupta AK, Basha M, Ramlingam S, Manjunath N, Vanteru S, Karmakar S, Maddala N, Vetrichelvan M, Gupta A, Rampulla RA, Mathur A, Yip S, Li P, Wu DR, Khan J, Ruzanov M, Sack JS, Wang J, Yarde M, Cvijic ME, Li S, Shuster DJ, Borowski V, Xie JH, McIntyre KW, Obermeier MT, Fura A, Stefanski K, Cornelius G, Hynes J, Tino JA, Macor JE, Salter-Cid L, Denton R, Zhao Q, Carter PH, Dhar TGM.: Rationally Designed, Conformationally Constrained Inverse Agonists of RORγt-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. J Med Chem, Volume 62 (21), 2019 J Med Chem 2019 31638797
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Marcoux D, Qin LY, Ruan Z, Shi Q, Ruan Q, Weigelt C, Qiu H,...
Marcoux D, Qin LY, Ruan Z, Shi Q, Ruan Q, Weigelt C, Qiu H, Schieven G, Hynes J, Bhide R, Poss M, Tino J.
Identification of highly potent and selective PI3Kδ inhibitors. Marcoux D, Qin LY, Ruan Z, Shi Q, Ruan Q, Weigelt C, Qiu H, Schieven G, Hynes J, Bhide R, Poss M, Tino J.: Identification of highly potent and selective PI3Kδ inhibitors. Bioorg Med Chem Lett, Volume 27 (13), 2017 Bioorg Med Chem Lett 2017 28209465
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Maren TH, Jankowska L, Sanyal G, Edelhauser HF.
Maren TH, Jankowska L, Sanyal G, Edelhauser HF.
The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Maren TH, Jankowska L, Sanyal G, Edelhauser HF.: The transcorneal permeability of sulfonamide carbonic anhydrase inhibitors and their effect on aqueous humor secretion. Exp Eye Res, Volume 36 (4), 457-479, 1983 Exp Eye Res 1983 6852128
Total substances: 11
Total passive interactions: 11
Total active interactions: 0
Margineanu A, Hotta J, Vallée RA, Van der Auweraer M,...
Margineanu A, Hotta J, Vallée RA, Van der Auweraer M, Ameloot M, Stefan A, Beljonne D, Engelborghs Y, Herrmann A, Müllen K, De Schryver FC, Hofkens J.
Visualization of membrane rafts using a perylene monoimide derivative and fluorescence lifetime imaging. Margineanu A, Hotta J, Vallée RA, Van der Auweraer M, Ameloot M, Stefan A, Beljonne D, Engelborghs Y, Herrmann A, Müllen K, De Schryver FC, Hofkens J.: Visualization of membrane rafts using a perylene monoimide derivative and fluorescence lifetime imaging. Biophys J, Volume 93 (8), 2877-2891, 2007 Biophys J 2007 17573424
Total substances: 1
Total passive interactions: 2
Total active interactions: 0
Maříková J, Ritomská A, Korábečný J, Peřinová R,...
Maříková J, Ritomská A, Korábečný J, Peřinová R, Al Mamun A, Kučera T, Kohelová E, Hulcová D, Kobrlová T, Kuneš J, Nováková L, Cahlíková L.
Aromatic Esters of the Crinane Amaryllidaceae Alkaloid Ambelline as Selective Inhibitors of Butyrylcholinesterase. Maříková J, Ritomská A, Korábečný J, Peřinová R, Al Mamun A, Kučera T, Kohelová E, Hulcová D, Kobrlová T, Kuneš J, Nováková L, Cahlíková L.: Aromatic Esters of the Crinane Amaryllidaceae Alkaloid Ambelline as Selective Inhibitors of Butyrylcholinesterase. J Nat Prod, Volume 83 (5), 2020 J Nat Prod 2020 32309949
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Marineau JJ, Hamman KB, Hu S, Alnemy S, Mihalich J, Kabro...
Marineau JJ, Hamman KB, Hu S, Alnemy S, Mihalich J, Kabro A, Whitmore KM, Winter DK, Roy S, Ciblat S, Ke N, Savinainen A, Wilsily A, Malojcic G, Zahler R, Schmidt D, Bradley MJ, Waters NJ, Chuaqui C.
Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7. Marineau JJ, Hamman KB, Hu S, Alnemy S, Mihalich J, Kabro A, Whitmore KM, Winter DK, Roy S, Ciblat S, Ke N, Savinainen A, Wilsily A, Malojcic G, Zahler R, Schmidt D, Bradley MJ, Waters NJ, Chuaqui C.: Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7. J Med Chem, Volume 65 (2), 2022 J Med Chem 2022 34726887
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Marino AM, Yarde M, Patel H, Chong S, Balimane PV.
Marino AM, Yarde M, Patel H, Chong S, Balimane PV.
Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. Marino AM, Yarde M, Patel H, Chong S, Balimane PV.: Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. Int J Pharm, Volume 297 (1-2), 235-241, 2005 Int J Pharm 2005 15907606
Total substances: 30
Total passive interactions: 30
Total active interactions: 0
Marson CM, Matthews CJ, Yiannaki E, Atkinson SJ, Soden PE,...
Marson CM, Matthews CJ, Yiannaki E, Atkinson SJ, Soden PE, Shukla L, Lamadema N, Thomas NS.
Discovery of potent, isoform-selective inhibitors of histone deacetylase containing chiral heterocyclic capping groups... Marson CM, Matthews CJ, Yiannaki E, Atkinson SJ, Soden PE, Shukla L, Lamadema N, Thomas NS.: Discovery of potent, isoform-selective inhibitors of histone deacetylase containing chiral heterocyclic capping groups and a N-(2-aminophenyl)benzamide binding unit. J Med Chem, Volume 56 (15), 2013 J Med Chem 2013 23829483
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Martel F, Gründemann D, Calhau C, Schömig E.
Martel F, Gründemann D, Calhau C, Schömig E.
Apical uptake of organic cations by human intestinal Caco-2 cells: putative involvement of ASF transporters. Martel F, Gründemann D, Calhau C, Schömig E.: Apical uptake of organic cations by human intestinal Caco-2 cells: putative involvement of ASF transporters. Naunyn Schmiedebergs Arch Pharmacol, Volume 363 (1), 2001 Naunyn Schmiedebergs Arch Pharmacol 2001 11191835
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O,...
Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O, Fiegen D, Gerstberger T, Hofmann MH, Hohmann AF, Kessler D, Knapp S, Knesl P, Kornigg S, Müller S, Nar H, Rogers C, Rumpel K, Schaaf O, Steurer S, Tallant C, Vakoc CR, Zeeb M, Zoephel A, Pearson M, Boehmelt G, McConnell D.
Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O, Fiegen D, Gerstberger T, Hofmann MH, Hohmann AF, Kessler D, Knapp S, Knesl P, Kornigg S, Müller S, Nar H, Rogers C, Rumpel K, Schaaf O, Steurer S, Tallant C, Vakoc CR, Zeeb M, Zoephel A, Pearson M, Boehmelt G, McConnell D.: Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J Med Chem, Volume 59 (10), 2016 J Med Chem 2016 26914985
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Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR,...
Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR, Lynes MS, Marshall CG, Conti C, Collis A, Morales MA, Doshi K, Rudnitskaya A, Yao L, Zheng X.
Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR, Lynes MS, Marshall CG, Conti C, Collis A, Morales MA, Doshi K, Rudnitskaya A, Yao L, Zheng X.: Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Bioorg Med Chem Lett, Volume 28 (12), 2018 Bioorg Med Chem Lett 2018 29776742
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Martin RE, Aebi JD, Hornsperger B, Krebs HJ, Kuhn B,...
Martin RE, Aebi JD, Hornsperger B, Krebs HJ, Kuhn B, Kuglstatter A, Alker AM, Märki HP, Müller S, Burger D, Ottaviani G, Riboulet W, Verry P, Tan X, Amrein K, Mayweg AV.
Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase... Martin RE, Aebi JD, Hornsperger B, Krebs HJ, Kuhn B, Kuglstatter A, Alker AM, Märki HP, Müller S, Burger D, Ottaviani G, Riboulet W, Verry P, Tan X, Amrein K, Mayweg AV.: Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys. J Med Chem, Volume 58 (20), 2015 J Med Chem 2015 26403853
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Martin RE, Green LG, Guba W, Kratochwil N, Christ A.
Martin RE, Green LG, Guba W, Kratochwil N, Christ A.
Discovery of the first nonpeptidic, small-molecule, highly selective somatostatin receptor subtype 5 antagonists: a... Martin RE, Green LG, Guba W, Kratochwil N, Christ A.: Discovery of the first nonpeptidic, small-molecule, highly selective somatostatin receptor subtype 5 antagonists: a chemogenomics approach. J Med Chem, Volume 50 (25), 2007 J Med Chem 2007 18020390
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Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O,...
Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.
Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009 Bioorg Med Chem Lett 2009 19786348
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Martínez González S, Hernández AI, Álvarez RM,...
Martínez González S, Hernández AI, Álvarez RM, Rodríguez A, Ramos-Lima F, Bischoff JR, Albarrán MI, Cebriá A, Hernández-Encinas E, García-Arocha J, Cebrián D, Blanco-Aparicio C, Pastor J.
Identification of novel PI3K inhibitors through a scaffold hopping strategy. Martínez González S, Hernández AI, Álvarez RM, Rodríguez A, Ramos-Lima F, Bischoff JR, Albarrán MI, Cebriá A, Hernández-Encinas E, García-Arocha J, Cebrián D, Blanco-Aparicio C, Pastor J.: Identification of novel PI3K inhibitors through a scaffold hopping strategy. Bioorg Med Chem Lett, Volume 27 (21), 2017 Bioorg Med Chem Lett 2017 29017786
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Martínez González S, Hernández AI, Varela C, Lorenzo M,...
Martínez González S, Hernández AI, Varela C, Lorenzo M, Ramos-Lima F, Cendón E, Cebrián D, Aguirre E, Gomez-Casero E, Albarrán MI, Alfonso P, García-Serelde B, Mateos G, Oyarzabal J, Rabal O, Mulero F, Gonzalez-Granda T, Link W, Fominaya J, Barbacid M, Bischoff JR, Pizcueta P, Blanco-Aparicio C, Pastor J.
Rapid identification of ETP-46992, orally bioavailable PI3K inhibitor, selective versus mTOR. Martínez González S, Hernández AI, Varela C, Lorenzo M, Ramos-Lima F, Cendón E, Cebrián D, Aguirre E, Gomez-Casero E, Albarrán MI, Alfonso P, García-Serelde B, Mateos G, Oyarzabal J, Rabal O, Mulero F, Gonzalez-Granda T, Link W, Fominaya J, Barbacid M, Bischoff JR, Pizcueta P, Blanco-Aparicio C, Pastor J.: Rapid identification of ETP-46992, orally bioavailable PI3K inhibitor, selective versus mTOR. Bioorg Med Chem Lett, Volume 22 (16), 2012 Bioorg Med Chem Lett 2012 22819764
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Martyn DC, Beletsky G, Cortese JF, Tyndall E, Liu H,...
Martyn DC, Beletsky G, Cortese JF, Tyndall E, Liu H, Fitzgerald MM, O'Shea TJ, Liang B, Clardy J.
Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Martyn DC, Beletsky G, Cortese JF, Tyndall E, Liu H, Fitzgerald MM, O'Shea TJ, Liang B, Clardy J.: Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Bioorg Med Chem Lett, Volume 19 (19), 2009 Bioorg Med Chem Lett 2009 19699641
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Marx IE, Dineen TA, Able J, Bode C, Bregman H, Chu-Moyer M,...
Marx IE, Dineen TA, Able J, Bode C, Bregman H, Chu-Moyer M, DiMauro EF, Du B, Foti RS, Fremeau RT, Gao H, Gunaydin H, Hall BE, Huang L, Kornecook T, Kreiman CR, La DS, Ligutti J, Lin MJ, Liu D, McDermott JS, Moyer BD, Peterson EA, Roberts JT, Rose P, Wang J, Youngblood BD, Yu V, Weiss MM.
Sulfonamides as Selective NaV1.7 Inhibitors: Optimizing Potency and Pharmacokinetics to Enable in Vivo... Marx IE, Dineen TA, Able J, Bode C, Bregman H, Chu-Moyer M, DiMauro EF, Du B, Foti RS, Fremeau RT, Gao H, Gunaydin H, Hall BE, Huang L, Kornecook T, Kreiman CR, La DS, Ligutti J, Lin MJ, Liu D, McDermott JS, Moyer BD, Peterson EA, Roberts JT, Rose P, Wang J, Youngblood BD, Yu V, Weiss MM.: Sulfonamides as Selective NaV1.7 Inhibitors: Optimizing Potency and Pharmacokinetics to Enable in Vivo Target Engagement. ACS Med Chem Lett, Volume 7 (12), 2016 ACS Med Chem Lett 2016 27994738
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Maryanoff BE, McComsey DF, Castanzo MJ, Setler PE, Gardocki...
Maryanoff BE, McComsey DF, Castanzo MJ, Setler PE, Gardocki JF, Shank RP, Schneider CR.
Pyrroloisoquinoline antidepressants. Potent, enantioselective inhibition of tetrabenazine-induced ptosis and neuronal... Maryanoff BE, McComsey DF, Castanzo MJ, Setler PE, Gardocki JF, Shank RP, Schneider CR.: Pyrroloisoquinoline antidepressants. Potent, enantioselective inhibition of tetrabenazine-induced ptosis and neuronal uptake of norepinephrine, dopamine, and serotonin. J Med Chem, Volume 27 (8), 1984 J Med Chem 1984 6747993
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Maryanoff BE, O'Neill JC, McComsey DF, Yabut SC, Luci DK,...
Maryanoff BE, O'Neill JC, McComsey DF, Yabut SC, Luci DK, Jordan AD, Masucci JA, Jones WJ, Abad MC, Gibbs AC, Petrounia I.
Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the... Maryanoff BE, O'Neill JC, McComsey DF, Yabut SC, Luci DK, Jordan AD, Masucci JA, Jones WJ, Abad MC, Gibbs AC, Petrounia I.: Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, Volume 2 (7), 2011 ACS Med Chem Lett 2011 24900346
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Mascitti V, Maurer TS, Robinson RP, Bian J, Boustany-Kari...
Mascitti V, Maurer TS, Robinson RP, Bian J, Boustany-Kari CM, Brandt T, Collman BM, Kalgutkar AS, Klenotic MK, Leininger MT, Lowe A, Maguire RJ, Masterson VM, Miao Z, Mukaiyama E, Patel JD, Pettersen JC, Préville C, Samas B, She L, Sobol Z, Steppan CM, Stevens BD, Thuma BA, Tugnait M, Zeng D, Zhu T.
Discovery of a clinical candidate from the structurally unique dioxa-bicyclo[3.2.1]octane class of sodium-dependent... Mascitti V, Maurer TS, Robinson RP, Bian J, Boustany-Kari CM, Brandt T, Collman BM, Kalgutkar AS, Klenotic MK, Leininger MT, Lowe A, Maguire RJ, Masterson VM, Miao Z, Mukaiyama E, Patel JD, Pettersen JC, Préville C, Samas B, She L, Sobol Z, Steppan CM, Stevens BD, Thuma BA, Tugnait M, Zeng D, Zhu T.: Discovery of a clinical candidate from the structurally unique dioxa-bicyclo[3.2.1]octane class of sodium-dependent glucose cotransporter 2 inhibitors. J Med Chem, Volume 54 (8), 2011 J Med Chem 2011 21449606
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Masereel B, Pochet L, Laeckmann D.
Masereel B, Pochet L, Laeckmann D.
An overview of inhibitors of Na(+)/H(+) exchanger. Masereel B, Pochet L, Laeckmann D.: An overview of inhibitors of Na(+)/H(+) exchanger. Eur J Med Chem, Volume 38 (6), 2003 Eur J Med Chem 2003 12832126
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Massari S, Nannetti G, Desantis J, Muratore G, Sabatini S,...
Massari S, Nannetti G, Desantis J, Muratore G, Sabatini S, Manfroni G, Mercorelli B, Cecchetti V, Palù G, Cruciani G, Loregian A, Goracci L, Tabarrini O.
A Broad Anti-influenza Hybrid Small Molecule That Potently Disrupts the Interaction of Polymerase Acidic Protein-Basic... Massari S, Nannetti G, Desantis J, Muratore G, Sabatini S, Manfroni G, Mercorelli B, Cecchetti V, Palù G, Cruciani G, Loregian A, Goracci L, Tabarrini O.: A Broad Anti-influenza Hybrid Small Molecule That Potently Disrupts the Interaction of Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Subunits. J Med Chem, Volume 58 (9), 2015 J Med Chem 2015 25856229
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Mastalerz H, Chang M, Chen P, Dextraze P, Fink BE, Gavai A,...
Mastalerz H, Chang M, Chen P, Dextraze P, Fink BE, Gavai A, Goyal B, Han WC, Johnson W, Langley D, Lee FY, Marathe P, Mathur A, Oppenheimer S, Ruediger E, Tarrant J, Tokarski JS, Vite GD, Vyas DM, Wong H, Wong TW, Zhang H, Zhang G.
New C-5 substituted pyrrolotriazine dual inhibitors of EGFR and HER2 protein tyrosine kinases. Mastalerz H, Chang M, Chen P, Dextraze P, Fink BE, Gavai A, Goyal B, Han WC, Johnson W, Langley D, Lee FY, Marathe P, Mathur A, Oppenheimer S, Ruediger E, Tarrant J, Tokarski JS, Vite GD, Vyas DM, Wong H, Wong TW, Zhang H, Zhang G.: New C-5 substituted pyrrolotriazine dual inhibitors of EGFR and HER2 protein tyrosine kinases. Bioorg Med Chem Lett, Volume 17 (7), 2007 Bioorg Med Chem Lett 2007 17270437
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Matheson CJ, Coxon CR, Bayliss R, Boxall K, Carbain B, Fry...
Matheson CJ, Coxon CR, Bayliss R, Boxall K, Carbain B, Fry AM, Hardcastle IR, Harnor SJ, Mas-Droux C, Newell DR, Richards MW, Sivaprakasam M, Turner D, Griffin RJ, Golding BT, Cano C.
2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Matheson CJ, Coxon CR, Bayliss R, Boxall K, Carbain B, Fry AM, Hardcastle IR, Harnor SJ, Mas-Droux C, Newell DR, Richards MW, Sivaprakasam M, Turner D, Griffin RJ, Golding BT, Cano C.: 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. RSC Med Chem, Volume 11 (6), 2020 RSC Med Chem 2020 33479670
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Mathew B, Baek SC, Grace Thomas Parambi D, Pil Lee J, Joy...
Mathew B, Baek SC, Grace Thomas Parambi D, Pil Lee J, Joy M, Annie Rilda PR, Randev RV, Nithyamol P, Vijayan V, Inasu ST, Mathew GE, Lohidakshan KK, Kumar Krishnan G, Kim H.
Selected aryl thiosemicarbazones as a new class of multi-targeted monoamine oxidase inhibitors. Mathew B, Baek SC, Grace Thomas Parambi D, Pil Lee J, Joy M, Annie Rilda PR, Randev RV, Nithyamol P, Vijayan V, Inasu ST, Mathew GE, Lohidakshan KK, Kumar Krishnan G, Kim H.: Selected aryl thiosemicarbazones as a new class of multi-targeted monoamine oxidase inhibitors. Medchemcomm, Volume 9 (11), 2018 Medchemcomm 2018 30568755
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Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL,...
Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.
Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung... Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002 J Drug Target 2002 11996084
Total substances: 20
Total passive interactions: 20
Total active interactions: 0
Matos MJ, Rodríguez-Enríquez F, Vilar S, Santana L,...
Matos MJ, Rodríguez-Enríquez F, Vilar S, Santana L, Uriarte E, Hripcsak G, Estrada M, Rodríguez-Franco MI, Viña D.
Potent and selective MAO-B inhibitory activity: amino- versus nitro-3-arylcoumarin derivatives. Matos MJ, Rodríguez-Enríquez F, Vilar S, Santana L, Uriarte E, Hripcsak G, Estrada M, Rodríguez-Franco MI, Viña D.: Potent and selective MAO-B inhibitory activity: amino- versus nitro-3-arylcoumarin derivatives. Bioorg Med Chem Lett, Volume 25 (3), 2015 Bioorg Med Chem Lett 2015 25532905
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Matralis AN, Malik A, Penzo M, Moreno I, Almela MJ, Camino...
Matralis AN, Malik A, Penzo M, Moreno I, Almela MJ, Camino I, Crespo B, Saadeddin A, Ghidelli-Disse S, Rueda L, Calderon F, Osborne SA, Drewes G, Böesche M, Fernández-Álvaro E, Martin Hernando JI, Baker DA.
Development of Chemical Entities Endowed with Potent Fast-Killing Properties against Plasmodium falciparum... Matralis AN, Malik A, Penzo M, Moreno I, Almela MJ, Camino I, Crespo B, Saadeddin A, Ghidelli-Disse S, Rueda L, Calderon F, Osborne SA, Drewes G, Böesche M, Fernández-Álvaro E, Martin Hernando JI, Baker DA.: Development of Chemical Entities Endowed with Potent Fast-Killing Properties against Plasmodium falciparum Malaria Parasites. J Med Chem, Volume 62 (20), 2019 J Med Chem 2019 31566384
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Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder...
Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.
Exploring the role of different drug transport routes in permeability screening. Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005 J Med Chem 2005 15658873
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Matsuda D, Kobashi Y, Mikami A, Kawamura M, Shiozawa F,...
Matsuda D, Kobashi Y, Mikami A, Kawamura M, Shiozawa F, Kawabe K, Hamada M, Nishimoto S, Kimura K, Miyoshi M, Takayama N, Kakinuma H, Ohtake N.
Novel 3H-[1,2,3]triazolo[4,5-c]pyridine derivatives as GPR119 agonists: Synthesis and structure-activity/solubility... Matsuda D, Kobashi Y, Mikami A, Kawamura M, Shiozawa F, Kawabe K, Hamada M, Nishimoto S, Kimura K, Miyoshi M, Takayama N, Kakinuma H, Ohtake N.: Novel 3H-[1,2,3]triazolo[4,5-c]pyridine derivatives as GPR119 agonists: Synthesis and structure-activity/solubility relationships. Bioorg Med Chem, Volume 25 (16), 2017 Bioorg Med Chem 2017 28662959
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Matsuda D, Kobashi Y, Mikami A, Kawamura M, Shiozawa F,...
Matsuda D, Kobashi Y, Mikami A, Kawamura M, Shiozawa F, Kawabe K, Hamada M, Oda K, Nishimoto S, Kimura K, Miyoshi M, Takayama N, Kakinuma H, Ohtake N.
Design and synthesis of 1H-pyrazolo[3,4-c]pyridine derivatives as a novel structural class of potent GPR119 agonists. Matsuda D, Kobashi Y, Mikami A, Kawamura M, Shiozawa F, Kawabe K, Hamada M, Oda K, Nishimoto S, Kimura K, Miyoshi M, Takayama N, Kakinuma H, Ohtake N.: Design and synthesis of 1H-pyrazolo[3,4-c]pyridine derivatives as a novel structural class of potent GPR119 agonists. Bioorg Med Chem Lett, Volume 26 (15), 2016 Bioorg Med Chem Lett 2016 27390068
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Matter H, Scheiper B, Steinhagen H, Böcskei Z, Fleury V,...
Matter H, Scheiper B, Steinhagen H, Böcskei Z, Fleury V, McCort G.
Structure-based design and optimization of potent renin inhibitors on 5- or 7-azaindole-scaffolds. Matter H, Scheiper B, Steinhagen H, Böcskei Z, Fleury V, McCort G.: Structure-based design and optimization of potent renin inhibitors on 5- or 7-azaindole-scaffolds. Bioorg Med Chem Lett, Volume 21 (18), 2011 Bioorg Med Chem Lett 2011 21840215
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Matter H, Zoller G, Herling AW, Sanchez-Arias JA, Philippo...
Matter H, Zoller G, Herling AW, Sanchez-Arias JA, Philippo C, Namane C, Kohlmann M, Pfenninger A, Voss MD.
Benzimidazole-carboxamides as potent and bioavailable stearoyl-CoA desaturase (SCD1) inhibitors from ligand-based... Matter H, Zoller G, Herling AW, Sanchez-Arias JA, Philippo C, Namane C, Kohlmann M, Pfenninger A, Voss MD.: Benzimidazole-carboxamides as potent and bioavailable stearoyl-CoA desaturase (SCD1) inhibitors from ligand-based virtual screening and chemical optimization. Bioorg Med Chem Lett, Volume 23 (6), 2013 Bioorg Med Chem Lett 2013 23395660
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Mattes H, Carcache D, Kalkman HO, Koller M.
Mattes H, Carcache D, Kalkman HO, Koller M.
alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) antagonists: from bench to bedside. Mattes H, Carcache D, Kalkman HO, Koller M.: alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) antagonists: from bench to bedside. J Med Chem, Volume 53 (15), 2010 J Med Chem 2010 20356304
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Matthews JM, Qin N, Colburn RW, Dax SL, Hawkins M, McNally...
Matthews JM, Qin N, Colburn RW, Dax SL, Hawkins M, McNally JJ, Reany L, Youngman MA, Baker J, Hutchinson T, Liu Y, Lubin ML, Neeper M, Brandt MR, Stone DJ, Flores CM.
The design and synthesis of novel, phosphonate-containing transient receptor potential melastatin 8 (TRPM8) antagonists. Matthews JM, Qin N, Colburn RW, Dax SL, Hawkins M, McNally JJ, Reany L, Youngman MA, Baker J, Hutchinson T, Liu Y, Lubin ML, Neeper M, Brandt MR, Stone DJ, Flores CM.: The design and synthesis of novel, phosphonate-containing transient receptor potential melastatin 8 (TRPM8) antagonists. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22421018
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Mattson RJ, Catt JD, Denhart DJ, Deskus JA, Ditta JL,...
Mattson RJ, Catt JD, Denhart DJ, Deskus JA, Ditta JL, Higgins MA, Marcin LR, Sloan CP, Beno BR, Gao Q, Cunningham MA, Mattson GK, Molski TF, Taber MT, Lodge NJ.
Conformationally restricted homotryptamines. 2. Indole cyclopropylmethylamines as selective serotonin reuptake... Mattson RJ, Catt JD, Denhart DJ, Deskus JA, Ditta JL, Higgins MA, Marcin LR, Sloan CP, Beno BR, Gao Q, Cunningham MA, Mattson GK, Molski TF, Taber MT, Lodge NJ.: Conformationally restricted homotryptamines. 2. Indole cyclopropylmethylamines as selective serotonin reuptake inhibitors. J Med Chem, Volume 48 (19), 2005 J Med Chem 2005 16162005
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Maurice D., Polgar J.
Maurice D., Polgar J.
Diffusion across the sclera Maurice D., Polgar J.: Diffusion across the sclera. Exp. Eye Res., 25, 577–582,1977. Exp. Eye Res. 1977 https://doi.org...
Total substances: 6
Total passive interactions: 6
Total active interactions: 0
Mavel S, Mincheva Z, Méheux N, Carcenac Y, Guilloteau D,...
Mavel S, Mincheva Z, Méheux N, Carcenac Y, Guilloteau D, Abarbri M, Emond P.
QSAR study and synthesis of new phenyltropanes as ligands of the dopamine transporter (DAT). Mavel S, Mincheva Z, Méheux N, Carcenac Y, Guilloteau D, Abarbri M, Emond P.: QSAR study and synthesis of new phenyltropanes as ligands of the dopamine transporter (DAT). Bioorg Med Chem, Volume 20 (4), 2012 Bioorg Med Chem 2012 22300887
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
May BC, Zorn JA, Witkop J, Sherrill J, Wallace AC, Legname...
May BC, Zorn JA, Witkop J, Sherrill J, Wallace AC, Legname G, Prusiner SB, Cohen FE.
Structure-activity relationship study of prion inhibition by 2-aminopyridine-3,5-dicarbonitrile-based compounds:... May BC, Zorn JA, Witkop J, Sherrill J, Wallace AC, Legname G, Prusiner SB, Cohen FE.: Structure-activity relationship study of prion inhibition by 2-aminopyridine-3,5-dicarbonitrile-based compounds: parallel synthesis, bioactivity, and in vitro pharmacokinetics. J Med Chem, Volume 50 (1), 2007 J Med Chem 2007 17201410
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May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif...
May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.
1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive... May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006 J Med Chem 2006 16392816
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
May-Dracka TL, Arduini R, Bertolotti-Ciarlet A, Bhisetti G,...
May-Dracka TL, Arduini R, Bertolotti-Ciarlet A, Bhisetti G, Brickelmaier M, Cahir-McFarland E, Enyedy I, Fontenot JD, Hesson T, Little K, Lyssikatos J, Marcotte D, McKee T, Murugan P, Patterson T, Peng H, Rushe M, Silvian L, Spilker K, Wu P, Xin Z, Burkly LC.
Investigating small molecules to inhibit germinal center kinase-like kinase (GLK/MAP4K3) upstream of PKCθ... May-Dracka TL, Arduini R, Bertolotti-Ciarlet A, Bhisetti G, Brickelmaier M, Cahir-McFarland E, Enyedy I, Fontenot JD, Hesson T, Little K, Lyssikatos J, Marcotte D, McKee T, Murugan P, Patterson T, Peng H, Rushe M, Silvian L, Spilker K, Wu P, Xin Z, Burkly LC.: Investigating small molecules to inhibit germinal center kinase-like kinase (GLK/MAP4K3) upstream of PKCθ phosphorylation: Potential therapy to modulate T cell dependent immunity. Bioorg Med Chem Lett, Volume 28 (10), 2018 Bioorg Med Chem Lett 2018 29636220
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Mayer K, Eris D, Schwardt O, Sager CP, Rabbani S, Kleeb S,...
Mayer K, Eris D, Schwardt O, Sager CP, Rabbani S, Kleeb S, Ernst B.
Urinary Tract Infection: Which Conformation of the Bacterial Lectin FimH Is Therapeutically Relevant? Mayer K, Eris D, Schwardt O, Sager CP, Rabbani S, Kleeb S, Ernst B.: Urinary Tract Infection: Which Conformation of the Bacterial Lectin FimH Is Therapeutically Relevant? J Med Chem, Volume 60 (13), 2017 J Med Chem 2017 28471659
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Mayer SC, Kreft AF, Harrison B, Abou-Gharbia M, Antane M,...
Mayer SC, Kreft AF, Harrison B, Abou-Gharbia M, Antane M, Aschmies S, Atchison K, Chlenov M, Cole DC, Comery T, Diamantidis G, Ellingboe J, Fan K, Galante R, Gonzales C, Ho DM, Hoke ME, Hu Y, Huryn D, Jain U, Jin M, Kremer K, Kubrak D, Lin M, Lu P, Magolda R, Martone R, Moore W, Oganesian A, Pangalos MN, Porte A, Reinhart P, Resnick L, Riddell DR, Sonnenberg-Reines J, Stock JR, Sun SC, Wagner E, Wang T, Woller K, Xu Z, Zaleska MM, Zeldis J, Zhang M, Zhou H, Jacobsen JS.
Discovery of begacestat, a Notch-1-sparing gamma-secretase inhibitor for the treatment of Alzheimer's disease. Mayer SC, Kreft AF, Harrison B, Abou-Gharbia M, Antane M, Aschmies S, Atchison K, Chlenov M, Cole DC, Comery T, Diamantidis G, Ellingboe J, Fan K, Galante R, Gonzales C, Ho DM, Hoke ME, Hu Y, Huryn D, Jain U, Jin M, Kremer K, Kubrak D, Lin M, Lu P, Magolda R, Martone R, Moore W, Oganesian A, Pangalos MN, Porte A, Reinhart P, Resnick L, Riddell DR, Sonnenberg-Reines J, Stock JR, Sun SC, Wagner E, Wang T, Woller K, Xu Z, Zaleska MM, Zeldis J, Zhang M, Zhou H, Jacobsen JS.: Discovery of begacestat, a Notch-1-sparing gamma-secretase inhibitor for the treatment of Alzheimer's disease. J Med Chem, Volume 51 (23), 2008 J Med Chem 2008 19012391
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Mazeres S, Joly E, Lopez A, Tardin C.
Mazeres S, Joly E, Lopez A, Tardin C.
Characterization of M-laurdan, a versatile probe to explore order in lipid membranes. Mazeres S, Joly E, Lopez A, Tardin C.: Characterization of M-laurdan, a versatile probe to explore order in lipid membranes. F1000Res, Volume 3, 172, 2014 F1000Res 2014 25485094
Total substances: 4
Total passive interactions: 8
Total active interactions: 0
Mazzola RD, Zhu Z, Sinning L, McKittrick B, Lavey B,...
Mazzola RD, Zhu Z, Sinning L, McKittrick B, Lavey B, Spitler J, Kozlowski J, Neng-Yang S, Zhou G, Guo Z, Orth P, Madison V, Sun J, Lundell D, Niu X.
Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II:... Mazzola RD, Zhu Z, Sinning L, McKittrick B, Lavey B, Spitler J, Kozlowski J, Neng-Yang S, Zhou G, Guo Z, Orth P, Madison V, Sun J, Lundell D, Niu X.: Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket. Bioorg Med Chem Lett, Volume 18 (21), 2008 Bioorg Med Chem Lett 2008 18835710
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McCauley JP, Dantzman CL, King MM, Ernst GE, Wang X, Brush...
McCauley JP, Dantzman CL, King MM, Ernst GE, Wang X, Brush K, Palmer WE, Frietze W, Andisik DW, Hoesch V, Doring K, Hulsizer J, Bui KH, Liu J, Hudzik TJ, Wesolowski SS.
Multiparameter exploration of piperazine derivatives as δ-opioid receptor agonists for CNS indications. McCauley JP, Dantzman CL, King MM, Ernst GE, Wang X, Brush K, Palmer WE, Frietze W, Andisik DW, Hoesch V, Doring K, Hulsizer J, Bui KH, Liu J, Hudzik TJ, Wesolowski SS.: Multiparameter exploration of piperazine derivatives as δ-opioid receptor agonists for CNS indications. Bioorg Med Chem Lett, Volume 22 (2), 2012 Bioorg Med Chem Lett 2012 22197139
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McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L,...
McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L, Barberia JT, Braganza JF, Carter D, Carty TJ, Cortina SR, Dombroski MA, Donahue KM, Elliott NC, Gibbons CP, Jordan CK, Kuperman AV, Labasi JM, Laliberte RE, McCoy JM, Naiman BM, Nelson KL, Nguyen HT, Peese KM, Sweeney FJ, Taylor TJ, Trebino CE, Abramov YA, Laird ER, Volberg WA, Zhou J, Bach J, Lombardo F.
Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical... McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L, Barberia JT, Braganza JF, Carter D, Carty TJ, Cortina SR, Dombroski MA, Donahue KM, Elliott NC, Gibbons CP, Jordan CK, Kuperman AV, Labasi JM, Laliberte RE, McCoy JM, Naiman BM, Nelson KL, Nguyen HT, Peese KM, Sweeney FJ, Taylor TJ, Trebino CE, Abramov YA, Laird ER, Volberg WA, Zhou J, Bach J, Lombardo F.: Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Bioorg Med Chem Lett, Volume 16 (16), 2006 Bioorg Med Chem Lett 2006 16759861
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McComas CC, Vu AT, Mahaney PE, Cohn ST, Fensome A, Marella...
McComas CC, Vu AT, Mahaney PE, Cohn ST, Fensome A, Marella MA, Nogle L, Trybulski EJ, Ye F, Zhang P, Alfinito P, Bray J, Johnston G, Koury E, Deecher DC.
Synthesis and activity of 1-(3-amino-1-phenylpropyl)indolin-2-ones: a new class of selective norepinephrine reuptake... McComas CC, Vu AT, Mahaney PE, Cohn ST, Fensome A, Marella MA, Nogle L, Trybulski EJ, Ye F, Zhang P, Alfinito P, Bray J, Johnston G, Koury E, Deecher DC.: Synthesis and activity of 1-(3-amino-1-phenylpropyl)indolin-2-ones: a new class of selective norepinephrine reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008 Bioorg Med Chem Lett 2008 18771916
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Total active interactions: 2
McCoull W, Addie MS, Birch AM, Birtles S, Buckett LK,...
McCoull W, Addie MS, Birch AM, Birtles S, Buckett LK, Butlin RJ, Bowker SS, Boyd S, Chapman S, Davies RD, Donald CS, Green CP, Jenner C, Kemmitt PD, Leach AG, Moody GC, Gutierrez PM, Newcombe NJ, Nowak T, Packer MJ, Plowright AT, Revill J, Schofield P, Sheldon C, Stokes S, Turnbull AV, Wang SJ, Whalley DP, Wood JM.
Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and... McCoull W, Addie MS, Birch AM, Birtles S, Buckett LK, Butlin RJ, Bowker SS, Boyd S, Chapman S, Davies RD, Donald CS, Green CP, Jenner C, Kemmitt PD, Leach AG, Moody GC, Gutierrez PM, Newcombe NJ, Nowak T, Packer MJ, Plowright AT, Revill J, Schofield P, Sheldon C, Stokes S, Turnbull AV, Wang SJ, Whalley DP, Wood JM.: Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes. Bioorg Med Chem Lett, Volume 22 (12), 2012 Bioorg Med Chem Lett 2012 22608962
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McCoull W, Bailey A, Barton P, Birch AM, Brown AJ, Butler...
McCoull W, Bailey A, Barton P, Birch AM, Brown AJ, Butler HS, Boyd S, Butlin RJ, Chappell B, Clarkson P, Collins S, Davies RM, Ertan A, Hammond CD, Holmes JL, Lenaghan C, Midha A, Morentin-Gutierrez P, Moore JE, Raubo P, Robb G.
Indazole-6-phenylcyclopropylcarboxylic Acids as Selective GPR120 Agonists with in Vivo Efficacy. McCoull W, Bailey A, Barton P, Birch AM, Brown AJ, Butler HS, Boyd S, Butlin RJ, Chappell B, Clarkson P, Collins S, Davies RM, Ertan A, Hammond CD, Holmes JL, Lenaghan C, Midha A, Morentin-Gutierrez P, Moore JE, Raubo P, Robb G.: Indazole-6-phenylcyclopropylcarboxylic Acids as Selective GPR120 Agonists with in Vivo Efficacy. J Med Chem, Volume 60 (7), 2017 J Med Chem 2017 28374589
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McCoull W, Barton P, Brown AJ, Bowker SS, Cameron J, Clarke...
McCoull W, Barton P, Brown AJ, Bowker SS, Cameron J, Clarke DS, Davies RD, Dossetter AG, Ertan A, Fenwick M, Green C, Holmes JL, Martin N, Masters D, Moore JE, Newcombe NJ, Newton C, Pointon H, Robb GR, Sheldon C, Stokes S, Morgan D.
Identification, optimization, and pharmacology of acylurea GHS-R1a inverse agonists. McCoull W, Barton P, Brown AJ, Bowker SS, Cameron J, Clarke DS, Davies RD, Dossetter AG, Ertan A, Fenwick M, Green C, Holmes JL, Martin N, Masters D, Moore JE, Newcombe NJ, Newton C, Pointon H, Robb GR, Sheldon C, Stokes S, Morgan D.: Identification, optimization, and pharmacology of acylurea GHS-R1a inverse agonists. J Med Chem, Volume 57 (14), 2014 J Med Chem 2014 24967667
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William McCoull, Edward J. Hennessy, Kevin Blades, ...
William McCoull, Edward J. Hennessy, Kevin Blades, Matthew R. Box, Claudio Chuaqui, James E. Dowling, Christopher D. Davies, Andrew D. Ferguson, Frederick W. Goldberg, Nicholas J. Howe, Paul D. Kemmitt, Gillian M. Lamont, Katrina Madden, Claire McWhirter, Jeffrey G. Varnes, Richard A. Ward, Jason D. Williams, Bin Yang
Identification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity McCoull, William; Edward J. Hennessy, Kevin Blades, Matthew R. Box, Claudio Chuaqui, James E. Dowling, Christopher D. Davies, Andrew D. Ferguson, Frederick W. Goldberg, Nicholas J. Howe, Paul D. Kemmitt, Gillian M. Lamont, Katrina Madden, Claire McWhirter, Jeffrey G. Varnes, Richard A. Ward, Jason D. Williams, Bin Yang: Identification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity. Med. Chem. Commun., 2014,5, 1533-1539, 10.1039/C4MD00280F MedChemComm 2014 10.1039/C4MD002...
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McDaniel KF, Wang L, Soltwedel T, Fidanze SD, Hasvold LA,...
McDaniel KF, Wang L, Soltwedel T, Fidanze SD, Hasvold LA, Liu D, Mantei RA, Pratt JK, Sheppard GS, Bui MH, Faivre EJ, Huang X, Li L, Lin X, Wang R, Warder SE, Wilcox D, Albert DH, Magoc TJ, Rajaraman G, Park CH, Hutchins CW, Shen JJ, Edalji RP, Sun CC, Martin R, Gao W, Wong S, Fang G, Elmore SW, Shen Y, Kati WM.
Discovery of... McDaniel KF, Wang L, Soltwedel T, Fidanze SD, Hasvold LA, Liu D, Mantei RA, Pratt JK, Sheppard GS, Bui MH, Faivre EJ, Huang X, Li L, Lin X, Wang R, Warder SE, Wilcox D, Albert DH, Magoc TJ, Rajaraman G, Park CH, Hutchins CW, Shen JJ, Edalji RP, Sun CC, Martin R, Gao W, Wong S, Fang G, Elmore SW, Shen Y, Kati WM.: Discovery of N-(4-(2,4-Difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide (ABBV-075/Mivebresib), a Potent and Orally Available Bromodomain and Extraterminal Domain (BET) Family Bromodomain Inhibitor. J Med Chem, Volume 60 (20), 2017 J Med Chem 2017 28949521
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McDonald IM, Mate RA, Zusi FC, Huang H, Post-Munson DJ,...
McDonald IM, Mate RA, Zusi FC, Huang H, Post-Munson DJ, Ferrante MA, Gallagher L, Bertekap RL, Knox RJ, Robertson BJ, Harden DG, Morgan DG, Lodge NJ, Dworetzky SI, Olson RE, Macor JE.
Discovery of a novel series of quinolone α7 nicotinic acetylcholine receptor agonists. McDonald IM, Mate RA, Zusi FC, Huang H, Post-Munson DJ, Ferrante MA, Gallagher L, Bertekap RL, Knox RJ, Robertson BJ, Harden DG, Morgan DG, Lodge NJ, Dworetzky SI, Olson RE, Macor JE.: Discovery of a novel series of quinolone α7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett, Volume 23 (6), 2013 Bioorg Med Chem Lett 2013 23414838
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McEneny-King A, Edginton AN, Rao PP.
McEneny-King A, Edginton AN, Rao PP.
Investigating the binding interactions of the anti-Alzheimer's drug donepezil with CYP3A4 and P-glycoprotein. McEneny-King A, Edginton AN, Rao PP.: Investigating the binding interactions of the anti-Alzheimer's drug donepezil with CYP3A4 and P-glycoprotein. Bioorg Med Chem Lett, Volume 25 (2), 2015 Bioorg Med Chem Lett 2015 25499431
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
McGowan D, Herschke F, Pauwels F, Stoops B, Last S, Pieters...
McGowan D, Herschke F, Pauwels F, Stoops B, Last S, Pieters S, Scholliers A, Thoné T, Van Schoubroeck B, De Pooter D, Mostmans W, Khamlichi MD, Embrechts W, Dhuyvetter D, Smyej I, Arnoult E, Demin S, Borghys H, Fanning G, Vlach J, Raboisson P.
Novel Pyrimidine Toll-like Receptor 7 and 8 Dual Agonists to Treat Hepatitis B Virus. McGowan D, Herschke F, Pauwels F, Stoops B, Last S, Pieters S, Scholliers A, Thoné T, Van Schoubroeck B, De Pooter D, Mostmans W, Khamlichi MD, Embrechts W, Dhuyvetter D, Smyej I, Arnoult E, Demin S, Borghys H, Fanning G, Vlach J, Raboisson P.: Novel Pyrimidine Toll-like Receptor 7 and 8 Dual Agonists to Treat Hepatitis B Virus. J Med Chem, Volume 59 (17), 2016 J Med Chem 2016 27513093
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McGowan D, Nyanguile O, Cummings MD, Vendeville S, Vandyck...
McGowan D, Nyanguile O, Cummings MD, Vendeville S, Vandyck K, Van den Broeck W, Boutton CW, De Bondt H, Quirynen L, Amssoms K, Bonfanti JF, Last S, Rombauts K, Tahri A, Hu L, Delouvroy F, Vermeiren K, Vandercruyssen G, Van der Helm L, Cleiren E, Mostmans W, Lory P, Pille G, Van Emelen K, Fanning G, Pauwels F, Lin TI, Simmen K, Raboisson P.
1,5-Benzodiazepine inhibitors of HCV NS5B polymerase. McGowan D, Nyanguile O, Cummings MD, Vendeville S, Vandyck K, Van den Broeck W, Boutton CW, De Bondt H, Quirynen L, Amssoms K, Bonfanti JF, Last S, Rombauts K, Tahri A, Hu L, Delouvroy F, Vermeiren K, Vandercruyssen G, Van der Helm L, Cleiren E, Mostmans W, Lory P, Pille G, Van Emelen K, Fanning G, Pauwels F, Lin TI, Simmen K, Raboisson P.: 1,5-Benzodiazepine inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (9), 2009 Bioorg Med Chem Lett 2009 19342234
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McGowan DC, Herschke F, Pauwels F, Stoops B, Smyej I, Last...
McGowan DC, Herschke F, Pauwels F, Stoops B, Smyej I, Last S, Pieters S, Embrechts W, Khamlichi MD, Thoné T, Van Schoubroeck B, Mostmans W, Wuyts D, Verstappen D, Scholliers A, De Pooter D, Dhuyvetter D, Borghys H, Tuefferd M, Arnoult E, Hong J, Fanning G, Bollekens J, Urmaliya V, Teisman A, Horton H, Jonckers THM, Raboisson P.
Identification and Optimization of Pyrrolo[3,2-d]pyrimidine Toll-like Receptor 7 (TLR7) Selective Agonists for the... McGowan DC, Herschke F, Pauwels F, Stoops B, Smyej I, Last S, Pieters S, Embrechts W, Khamlichi MD, Thoné T, Van Schoubroeck B, Mostmans W, Wuyts D, Verstappen D, Scholliers A, De Pooter D, Dhuyvetter D, Borghys H, Tuefferd M, Arnoult E, Hong J, Fanning G, Bollekens J, Urmaliya V, Teisman A, Horton H, Jonckers THM, Raboisson P.: Identification and Optimization of Pyrrolo[3,2-d]pyrimidine Toll-like Receptor 7 (TLR7) Selective Agonists for the Treatment of Hepatitis B. J Med Chem, Volume 60 (14), 2017 J Med Chem 2017 28671847
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McGuigan C, Madela K, Aljarah M, Gilles A, Brancale A,...
McGuigan C, Madela K, Aljarah M, Gilles A, Brancale A, Zonta N, Chamberlain S, Vernachio J, Hutchins J, Hall A, Ames B, Gorovits E, Ganguly B, Kolykhalov A, Wang J, Muhammad J, Patti JM, Henson G.
Design, synthesis and evaluation of a novel double pro-drug: INX-08189. A new clinical candidate for hepatitis C virus. McGuigan C, Madela K, Aljarah M, Gilles A, Brancale A, Zonta N, Chamberlain S, Vernachio J, Hutchins J, Hall A, Ames B, Gorovits E, Ganguly B, Kolykhalov A, Wang J, Muhammad J, Patti JM, Henson G.: Design, synthesis and evaluation of a novel double pro-drug: INX-08189. A new clinical candidate for hepatitis C virus. Bioorg Med Chem Lett, Volume 20 (16), 2010 Bioorg Med Chem Lett 2010 20637609
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McIntire SL, Reimer RJ, Schuske K, Edwards RH, Jorgensen EM.
McIntire SL, Reimer RJ, Schuske K, Edwards RH, Jorgensen EM.
Identification and characterization of the vesicular GABA transporter. McIntire SL, Reimer RJ, Schuske K, Edwards RH, Jorgensen EM.: Identification and characterization of the vesicular GABA transporter. Nature, Volume 389 (6653), 1997 Nature 1997 9349821
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
McIver EG, Bryans J, Birchall K, Chugh J, Drake T, Lewis...
McIver EG, Bryans J, Birchall K, Chugh J, Drake T, Lewis SJ, Osborne J, Smiljanic-Hurley E, Tsang W, Kamal A, Levy A, Newman M, Taylor D, Arthur JS, Clark K, Cohen P.
Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKKε... McIver EG, Bryans J, Birchall K, Chugh J, Drake T, Lewis SJ, Osborne J, Smiljanic-Hurley E, Tsang W, Kamal A, Levy A, Newman M, Taylor D, Arthur JS, Clark K, Cohen P.: Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKKε kinases. Bioorg Med Chem Lett, Volume 22 (23), 2012 Bioorg Med Chem Lett 2012 23099093
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McKeown SC, Corbett DF, Goetz AS, Littleton TR, Bigham E,...
McKeown SC, Corbett DF, Goetz AS, Littleton TR, Bigham E, Briscoe CP, Peat AJ, Watson SP, Hickey DM.
Solid phase synthesis and SAR of small molecule agonists for the GPR40 receptor. McKeown SC, Corbett DF, Goetz AS, Littleton TR, Bigham E, Briscoe CP, Peat AJ, Watson SP, Hickey DM.: Solid phase synthesis and SAR of small molecule agonists for the GPR40 receptor. Bioorg Med Chem Lett, Volume 17 (6), 2007 Bioorg Med Chem Lett 2007 17240142
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McKerrall SJ, Nguyen T, Lai KW, Bergeron P, Deng L,...
McKerrall SJ, Nguyen T, Lai KW, Bergeron P, Deng L, DiPasquale A, Chang JH, Chen J, Chernov-Rogan T, Hackos DH, Maher J, Ortwine DF, Pang J, Payandeh J, Proctor WR, Shields SD, Vogt J, Ji P, Liu W, Ballini E, Schumann L, Tarozzo G, Bankar G, Chowdhury S, Hasan A, Johnson JP, Khakh K, Lin S, Cohen CJ, Dehnhardt CM, Safina BS, Sutherlin DP.
Structure- and Ligand-Based Discovery of Chromane Arylsulfonamide Nav1.7 Inhibitors for the Treatment of Chronic Pain. McKerrall SJ, Nguyen T, Lai KW, Bergeron P, Deng L, DiPasquale A, Chang JH, Chen J, Chernov-Rogan T, Hackos DH, Maher J, Ortwine DF, Pang J, Payandeh J, Proctor WR, Shields SD, Vogt J, Ji P, Liu W, Ballini E, Schumann L, Tarozzo G, Bankar G, Chowdhury S, Hasan A, Johnson JP, Khakh K, Lin S, Cohen CJ, Dehnhardt CM, Safina BS, Sutherlin DP.: Structure- and Ligand-Based Discovery of Chromane Arylsulfonamide Nav1.7 Inhibitors for the Treatment of Chronic Pain. J Med Chem, Volume 62 (8), 2019 J Med Chem 2019 30943032
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
McKerrall SJ, Sutherlin DP.
McKerrall SJ, Sutherlin DP.
Nav1.7 inhibitors for the treatment of chronic pain. McKerrall SJ, Sutherlin DP.: Nav1.7 inhibitors for the treatment of chronic pain. Bioorg Med Chem Lett, Volume 28 (19), 2018 Bioorg Med Chem Lett 2018 30139550
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree...
McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.
A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009 J Med Chem 2009 19663444
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McKinzie DL, Winneroski LL, Green SJ, Hembre EJ, Erickson...
McKinzie DL, Winneroski LL, Green SJ, Hembre EJ, Erickson JA, Willis BA, Monk SA, Aluise CD, Baker TK, Lopez JE, Hendle J, Beck JP, Brier RA, Boggs LN, Borders AR, Cocke PJ, Garcia-Losada P, Lowe SL, Mathes BM, May PC, Porter WJ, Stout SL, Timm DE, Watson BM, Yang Z, Mergott DJ.
Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. McKinzie DL, Winneroski LL, Green SJ, Hembre EJ, Erickson JA, Willis BA, Monk SA, Aluise CD, Baker TK, Lopez JE, Hendle J, Beck JP, Brier RA, Boggs LN, Borders AR, Cocke PJ, Garcia-Losada P, Lowe SL, Mathes BM, May PC, Porter WJ, Stout SL, Timm DE, Watson BM, Yang Z, Mergott DJ.: Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. J Med Chem, Volume 64 (12), 2021 J Med Chem 2021 34081466
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McKittrick BA, Caldwell JP, Bara T, Boykow G, Chintala M,...
McKittrick BA, Caldwell JP, Bara T, Boykow G, Chintala M, Clader J, Czarniecki M, Courneya B, Duffy R, Fleming L, Giessert R, Greenlee WJ, Heap C, Hong L, Huang Y, Iserloh U, Josien H, Khan T, Korfmacher W, Liang X, Mazzola R, Mitra S, Moore K, Orth P, Rajagopalan M, Roy S, Sakwa S, Strickland C, Vaccaro H, Voigt J, Wang H, Wong J, Zhang R, Zych A.
Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors. McKittrick BA, Caldwell JP, Bara T, Boykow G, Chintala M, Clader J, Czarniecki M, Courneya B, Duffy R, Fleming L, Giessert R, Greenlee WJ, Heap C, Hong L, Huang Y, Iserloh U, Josien H, Khan T, Korfmacher W, Liang X, Mazzola R, Mitra S, Moore K, Orth P, Rajagopalan M, Roy S, Sakwa S, Strickland C, Vaccaro H, Voigt J, Wang H, Wong J, Zhang R, Zych A.: Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors. Bioorg Med Chem Lett, Volume 25 (7), 2015 Bioorg Med Chem Lett 2015 25728416
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Meanwell NA, Wallace OB, Fang H, Wang H, Deshpande M, Wang...
Meanwell NA, Wallace OB, Fang H, Wang H, Deshpande M, Wang T, Yin Z, Zhang Z, Pearce BC, James J, Yeung KS, Qiu Z, Kim Wright JJ, Yang Z, Zadjura L, Tweedie DL, Yeola S, Zhao F, Ranadive S, Robinson BA, Gong YF, Wang HG, Spicer TP, Blair WS, Shi PY, Colonno RJ, Lin PF.
Inhibitors of HIV-1 attachment. Part 2: An initial survey of indole substitution patterns. Meanwell NA, Wallace OB, Fang H, Wang H, Deshpande M, Wang T, Yin Z, Zhang Z, Pearce BC, James J, Yeung KS, Qiu Z, Kim Wright JJ, Yang Z, Zadjura L, Tweedie DL, Yeola S, Zhao F, Ranadive S, Robinson BA, Gong YF, Wang HG, Spicer TP, Blair WS, Shi PY, Colonno RJ, Lin PF.: Inhibitors of HIV-1 attachment. Part 2: An initial survey of indole substitution patterns. Bioorg Med Chem Lett, Volume 19 (7), 2009 Bioorg Med Chem Lett 2009 19251416
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Meanwell NA.
Meanwell NA.
Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design. Meanwell NA.: Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design. J Med Chem, Volume 61 (14), 2018 J Med Chem 2018 29400967
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Meanwell NA.
Meanwell NA.
Synopsis of some recent tactical application of bioisosteres in drug design. Meanwell NA.: Synopsis of some recent tactical application of bioisosteres in drug design. J Med Chem, Volume 54 (8), 2011 J Med Chem 2011 21413808
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Measom ND, Down KD, Hirst DJ, Jamieson C, Manas ES, Patel...
Measom ND, Down KD, Hirst DJ, Jamieson C, Manas ES, Patel VK, Somers DO.
Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA2 Inhibitor. Measom ND, Down KD, Hirst DJ, Jamieson C, Manas ES, Patel VK, Somers DO.: Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA2 Inhibitor. ACS Med Chem Lett, Volume 8 (1), 2017 ACS Med Chem Lett 2017 28105273
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Meegalla SK, Huang H, Martin T, Xu J, Zhao S, Liu J, Hall...
Meegalla SK, Huang H, Martin T, Xu J, Zhao S, Liu J, Hall M, Gunnet J, Wang Y, Rady B, Silva J, Otieno M, Arnoult E, Paul Lee S, Pocai A, Player MR.
Discovery of a novel potent GPR40 full agonist. Meegalla SK, Huang H, Martin T, Xu J, Zhao S, Liu J, Hall M, Gunnet J, Wang Y, Rady B, Silva J, Otieno M, Arnoult E, Paul Lee S, Pocai A, Player MR.: Discovery of a novel potent GPR40 full agonist. Bioorg Med Chem Lett, Volume 28 (4), 2018 Bioorg Med Chem Lett 2018 29366647
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Meier-Abt F, Faulstich H, Hagenbuch B.
Meier-Abt F, Faulstich H, Hagenbuch B.
Identification of phalloidin uptake systems of rat and human liver. Meier-Abt F, Faulstich H, Hagenbuch B.: Identification of phalloidin uptake systems of rat and human liver. Biochim Biophys Acta, Volume 1664 (1), 2004 Biochim Biophys Acta 2004 15238259
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Meltzer PC, Blundell P, Yong YF, Chen Z, George C, Gonzalez...
Meltzer PC, Blundell P, Yong YF, Chen Z, George C, Gonzalez MD, Madras BK.
2-Carbomethoxy-3-aryl-8-bicyclo[3.2.1]octanes: potent non-nitrogen inhibitors of monoamine transporters. Meltzer PC, Blundell P, Yong YF, Chen Z, George C, Gonzalez MD, Madras BK.: 2-Carbomethoxy-3-aryl-8-bicyclo[3.2.1]octanes: potent non-nitrogen inhibitors of monoamine transporters. J Med Chem, Volume 43 (16), 2000 J Med Chem 2000 10956207
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Meltzer PC, McPhee M, Madras BK.
Meltzer PC, McPhee M, Madras BK.
Synthesis and biological activity of 2-carbomethoxy-3-catechol-8-azabicyclo[3.2.1]octanes. Meltzer PC, McPhee M, Madras BK.: Synthesis and biological activity of 2-carbomethoxy-3-catechol-8-azabicyclo[3.2.1]octanes. Bioorg Med Chem Lett, Volume 13 (22), 2003 Bioorg Med Chem Lett 2003 14592523
Total substances: 2
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Total active interactions: 2
Menear KA, Gomez S, Malagu K, Bailey C, Blackburn K,...
Menear KA, Gomez S, Malagu K, Bailey C, Blackburn K, Cockcroft XL, Ewen S, Fundo A, Le Gall A, Hermann G, Sebastian L, Sunose M, Presnot T, Torode E, Hickson I, Martin NM, Smith GC, Pike KG.
Identification and optimisation of novel and selective small molecular weight kinase inhibitors of mTOR. Menear KA, Gomez S, Malagu K, Bailey C, Blackburn K, Cockcroft XL, Ewen S, Fundo A, Le Gall A, Hermann G, Sebastian L, Sunose M, Presnot T, Torode E, Hickson I, Martin NM, Smith GC, Pike KG.: Identification and optimisation of novel and selective small molecular weight kinase inhibitors of mTOR. Bioorg Med Chem Lett, Volume 19 (20), 2009 Bioorg Med Chem Lett 2009 19733066
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Menet CJ, Fletcher SR, Van Lommen G, Geney R, Blanc J,...
Menet CJ, Fletcher SR, Van Lommen G, Geney R, Blanc J, Smits K, Jouannigot N, Deprez P, van der Aar EM, Clement-Lacroix P, Lepescheux L, Galien R, Vayssiere B, Nelles L, Christophe T, Brys R, Uhring M, Ciesielski F, Van Rompaey L.
Triazolopyridines as selective JAK1 inhibitors: from hit identification to GLPG0634. Menet CJ, Fletcher SR, Van Lommen G, Geney R, Blanc J, Smits K, Jouannigot N, Deprez P, van der Aar EM, Clement-Lacroix P, Lepescheux L, Galien R, Vayssiere B, Nelles L, Christophe T, Brys R, Uhring M, Ciesielski F, Van Rompaey L.: Triazolopyridines as selective JAK1 inhibitors: from hit identification to GLPG0634. J Med Chem, Volume 57 (22), 2014 J Med Chem 2014 25369270
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Meneyrol J, Follmann M, Lassalle G, Wehner V, Barre G,...
Meneyrol J, Follmann M, Lassalle G, Wehner V, Barre G, Rousseaux T, Altenburger JM, Petit F, Bocskei Z, Schreuder H, Alet N, Herault JP, Millet L, Dol F, Florian P, Schaeffer P, Sadoun F, Klieber S, Briot C, Bono F, Herbert JM.
5-Chlorothiophene-2-carboxylic acid... Meneyrol J, Follmann M, Lassalle G, Wehner V, Barre G, Rousseaux T, Altenburger JM, Petit F, Bocskei Z, Schreuder H, Alet N, Herault JP, Millet L, Dol F, Florian P, Schaeffer P, Sadoun F, Klieber S, Briot C, Bono F, Herbert JM.: 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor. J Med Chem, Volume 56 (23), 2013 J Med Chem 2013 24175584
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Meng T, Zhang D, Xie Z, Yu T, Wu S, Wyder L, Regenass U,...
Meng T, Zhang D, Xie Z, Yu T, Wu S, Wyder L, Regenass U, Hilpert K, Huang M, Geng M, Shen J.
Discovery and optimization of 4,5-diarylisoxazoles as potent dual inhibitors of pyruvate dehydrogenase kinase and heat... Meng T, Zhang D, Xie Z, Yu T, Wu S, Wyder L, Regenass U, Hilpert K, Huang M, Geng M, Shen J.: Discovery and optimization of 4,5-diarylisoxazoles as potent dual inhibitors of pyruvate dehydrogenase kinase and heat shock protein 90. J Med Chem, Volume 57 (23), 2014 J Med Chem 2014 25383915
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Meng W, Adam LP, Behnia K, Zhao L, Yang R, Kopcho LM, Locke...
Meng W, Adam LP, Behnia K, Zhao L, Yang R, Kopcho LM, Locke GA, Taylor DS, Yin X, Wexler RR, Finlay H.
Benzothiazole-based compounds as potent endothelial lipase inhibitors. Meng W, Adam LP, Behnia K, Zhao L, Yang R, Kopcho LM, Locke GA, Taylor DS, Yin X, Wexler RR, Finlay H.: Benzothiazole-based compounds as potent endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 29 (20), 2019 Bioorg Med Chem Lett 2019 31519373
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Meng W, Brigance RP, Chao HJ, Fura A, Harrity T,...
Meng W, Brigance RP, Chao HJ, Fura A, Harrity T, Marcinkeviciene J, O'Connor SP, Tamura JK, Xie D, Zhang Y, Klei HE, Kish K, Weigelt CA, Turdi H, Wang A, Zahler R, Kirby MS, Hamann LG.
Discovery of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as potent,... Meng W, Brigance RP, Chao HJ, Fura A, Harrity T, Marcinkeviciene J, O'Connor SP, Tamura JK, Xie D, Zhang Y, Klei HE, Kish K, Weigelt CA, Turdi H, Wang A, Zahler R, Kirby MS, Hamann LG.: Discovery of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as potent, selective dipeptidyl peptidase-4 (DPP4) inhibitors. J Med Chem, Volume 53 (15), 2010 J Med Chem 2010 20684603
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Meng W, Ellsworth BA, Nirschl AA, McCann PJ, Patel M,...
Meng W, Ellsworth BA, Nirschl AA, McCann PJ, Patel M, Girotra RN, Wu G, Sher PM, Morrison EP, Biller SA, Zahler R, Deshpande PP, Pullockaran A, Hagan DL, Morgan N, Taylor JR, Obermeier MT, Humphreys WG, Khanna A, Discenza L, Robertson JG, Wang A, Han S, Wetterau JR, Janovitz EB, Flint OP, Whaley JM, Washburn WN.
Discovery of dapagliflozin: a potent, selective renal sodium-dependent glucose cotransporter 2 (SGLT2) inhibitor for... Meng W, Ellsworth BA, Nirschl AA, McCann PJ, Patel M, Girotra RN, Wu G, Sher PM, Morrison EP, Biller SA, Zahler R, Deshpande PP, Pullockaran A, Hagan DL, Morgan N, Taylor JR, Obermeier MT, Humphreys WG, Khanna A, Discenza L, Robertson JG, Wang A, Han S, Wetterau JR, Janovitz EB, Flint OP, Whaley JM, Washburn WN.: Discovery of dapagliflozin: a potent, selective renal sodium-dependent glucose cotransporter 2 (SGLT2) inhibitor for the treatment of type 2 diabetes. J Med Chem, Volume 51 (5), 2008 J Med Chem 2008 18260618
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Meng W, Pi Z, Brigance R, Rossi KA, Schumacher WA, Bostwick...
Meng W, Pi Z, Brigance R, Rossi KA, Schumacher WA, Bostwick JS, Gargalovic PS, Onorato JM, Luk CE, Generaux CN, Wang T, Wexler RR, Finlay HJ.
Identification of a Hydroxypyrimidinone Compound (21) as a Potent APJ Receptor Agonist for the Potential... Meng W, Pi Z, Brigance R, Rossi KA, Schumacher WA, Bostwick JS, Gargalovic PS, Onorato JM, Luk CE, Generaux CN, Wang T, Wexler RR, Finlay HJ.: Identification of a Hydroxypyrimidinone Compound (21) as a Potent APJ Receptor Agonist for the Potential Treatment of Heart Failure. J Med Chem, Volume 64 (24), 2021 J Med Chem 2021 34855405
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Menhaji-Klotz E, Ward J, Brown JA, Loria PM, Tan C, Hesp...
Menhaji-Klotz E, Ward J, Brown JA, Loria PM, Tan C, Hesp KD, Riccardi KA, Litchfield J, Boehm M.
Discovery of Diphenylacetamides as CXCR7 Inhibitors with Novel β-Arrestin Antagonist Activity. Menhaji-Klotz E, Ward J, Brown JA, Loria PM, Tan C, Hesp KD, Riccardi KA, Litchfield J, Boehm M.: Discovery of Diphenylacetamides as CXCR7 Inhibitors with Novel β-Arrestin Antagonist Activity. ACS Med Chem Lett, Volume 11 (6), 2020 ACS Med Chem Lett 2020 32551020
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Menichetti R, Kanekal KH, Bereau T.
Menichetti R, Kanekal KH, Bereau T.
Drug-Membrane Permeability across Chemical Space. Menichetti R, Kanekal KH, Bereau T.: Drug-Membrane Permeability across Chemical Space. ACS Cent Sci, Volume 5 (2), 290-298, 2019 ACS Cent Sci 2019 30834317
Total substances: 441257
Total passive interactions: 875514
Total active interactions: 0
Menichincheri M, Albanese C, Alli C, Ballinari D, Bargiotti...
Menichincheri M, Albanese C, Alli C, Ballinari D, Bargiotti A, Caldarelli M, Ciavolella A, Cirla A, Colombo M, Colotta F, Croci V, D'Alessio R, D'Anello M, Ermoli A, Fiorentini F, Forte B, Galvani A, Giordano P, Isacchi A, Martina K, Molinari A, Moll JK, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pillan A, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Vianello P, Volpi D, Santocanale C, Vanotti E.
Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. Menichincheri M, Albanese C, Alli C, Ballinari D, Bargiotti A, Caldarelli M, Ciavolella A, Cirla A, Colombo M, Colotta F, Croci V, D'Alessio R, D'Anello M, Ermoli A, Fiorentini F, Forte B, Galvani A, Giordano P, Isacchi A, Martina K, Molinari A, Moll JK, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pillan A, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Vianello P, Volpi D, Santocanale C, Vanotti E.: Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. J Med Chem, Volume 53 (20), 2010 J Med Chem 2010 20873740
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Menichincheri M, Ardini E, Magnaghi P, Avanzi N, Banfi P,...
Menichincheri M, Ardini E, Magnaghi P, Avanzi N, Banfi P, Bossi R, Buffa L, Canevari G, Ceriani L, Colombo M, Corti L, Donati D, Fasolini M, Felder E, Fiorelli C, Fiorentini F, Galvani A, Isacchi A, Borgia AL, Marchionni C, Nesi M, Orrenius C, Panzeri A, Pesenti E, Rusconi L, Saccardo MB, Vanotti E, Perrone E, Orsini P.
Discovery of Entrectinib: A New 3-Aminoindazole As a Potent Anaplastic Lymphoma Kinase (ALK), c-ros Oncogene 1 Kinase... Menichincheri M, Ardini E, Magnaghi P, Avanzi N, Banfi P, Bossi R, Buffa L, Canevari G, Ceriani L, Colombo M, Corti L, Donati D, Fasolini M, Felder E, Fiorelli C, Fiorentini F, Galvani A, Isacchi A, Borgia AL, Marchionni C, Nesi M, Orrenius C, Panzeri A, Pesenti E, Rusconi L, Saccardo MB, Vanotti E, Perrone E, Orsini P.: Discovery of Entrectinib: A New 3-Aminoindazole As a Potent Anaplastic Lymphoma Kinase (ALK), c-ros Oncogene 1 Kinase (ROS1), and Pan-Tropomyosin Receptor Kinases (Pan-TRKs) inhibitor. J Med Chem, Volume 59 (7), 2016 J Med Chem 2016 27003761
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Menichincheri M, Bargiotti A, Berthelsen J, Bertrand JA,...
Menichincheri M, Bargiotti A, Berthelsen J, Bertrand JA, Bossi R, Ciavolella A, Cirla A, Cristiani C, Croci V, D'Alessio R, Fasolini M, Fiorentini F, Forte B, Isacchi A, Martina K, Molinari A, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pezzetta D, Pillan A, Poggesi I, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Volpi D, Santocanale C, Vanotti E.
First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. Menichincheri M, Bargiotti A, Berthelsen J, Bertrand JA, Bossi R, Ciavolella A, Cirla A, Cristiani C, Croci V, D'Alessio R, Fasolini M, Fiorentini F, Forte B, Isacchi A, Martina K, Molinari A, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pezzetta D, Pillan A, Poggesi I, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Volpi D, Santocanale C, Vanotti E.: First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. J Med Chem, Volume 52 (2), 2009 J Med Chem 2009 19115845
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Merino G, Alvarez AI, Prieto JG, Kim RB.
Merino G, Alvarez AI, Prieto JG, Kim RB.
The anthelminthic agent albendazole does not interact with p-glycoprotein. Merino G, Alvarez AI, Prieto JG, Kim RB.: The anthelminthic agent albendazole does not interact with p-glycoprotein. Drug Metab Dispos, Volume 30 (4), 2002 Drug Metab Dispos 2002 11901088
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Merritt JR, Rokosz LL, Nelson KH, Kaiser B, Wang W,...
Merritt JR, Rokosz LL, Nelson KH, Kaiser B, Wang W, Stauffer TM, Ozgur LE, Schilling A, Li G, Baldwin JJ, Taveras AG, Dwyer MP, Chao J.
Synthesis and structure-activity relationships of 3,4-diaminocyclobut-3-ene-1,2-dione CXCR2 antagonists. Merritt JR, Rokosz LL, Nelson KH, Kaiser B, Wang W, Stauffer TM, Ozgur LE, Schilling A, Li G, Baldwin JJ, Taveras AG, Dwyer MP, Chao J.: Synthesis and structure-activity relationships of 3,4-diaminocyclobut-3-ene-1,2-dione CXCR2 antagonists. Bioorg Med Chem Lett, Volume 16 (15), 2006 Bioorg Med Chem Lett 2006 16697193
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Metzner L, Kottra G, Neubert K, Daniel H, Brandsch M.
Metzner L, Kottra G, Neubert K, Daniel H, Brandsch M.
Serotonin, L-tryptophan, and tryptamine are effective inhibitors of the amino acid transport system PAT1. Metzner L, Kottra G, Neubert K, Daniel H, Brandsch M.: Serotonin, L-tryptophan, and tryptamine are effective inhibitors of the amino acid transport system PAT1. FASEB J, Volume 19 (11), 2005 FASEB J 2005 16126914
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Mewshaw RE, Zhou D, Zhou P, Shi X, Hornby G, Spangler T,...
Mewshaw RE, Zhou D, Zhou P, Shi X, Hornby G, Spangler T, Scerni R, Smith D, Schechter LE, Andree TH.
Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter... Mewshaw RE, Zhou D, Zhou P, Shi X, Hornby G, Spangler T, Scerni R, Smith D, Schechter LE, Andree TH.: Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines. J Med Chem, Volume 47 (15), 2004 J Med Chem 2004 15239661
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B,...
Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.
Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019 J Med Chem 2019 31597043
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Michaelides MR, Kluge A, Patane M, Van Drie JH, Wang C,...
Michaelides MR, Kluge A, Patane M, Van Drie JH, Wang C, Hansen TM, Risi RM, Mantei R, Hertel C, Karukurichi K, Nesterov A, McElligott D, de Vries P, Langston JW, Cole PA, Marmorstein R, Liu H, Lasko L, Bromberg KD, Lai A, Kesicki EA.
Discovery of Spiro Oxazolidinediones as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone... Michaelides MR, Kluge A, Patane M, Van Drie JH, Wang C, Hansen TM, Risi RM, Mantei R, Hertel C, Karukurichi K, Nesterov A, McElligott D, de Vries P, Langston JW, Cole PA, Marmorstein R, Liu H, Lasko L, Bromberg KD, Lai A, Kesicki EA.: Discovery of Spiro Oxazolidinediones as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases. ACS Med Chem Lett, Volume 9 (1), 2018 ACS Med Chem Lett 2018 29348807
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Micheli F, Bernardelli A, Bianchi F, Braggio S, Castelletti...
Micheli F, Bernardelli A, Bianchi F, Braggio S, Castelletti L, Cavallini P, Cavanni P, Cremonesi S, Dal Cin M, Feriani A, Oliosi B, Semeraro T, Tarsi L, Tomelleri S, Wong A, Visentini F, Zonzini L, Heidbreder C.
1,2,4-Triazolyl octahydropyrrolo[2,3-b]pyrroles: A new series of potent and selective dopamine D3 receptor antagonists. Micheli F, Bernardelli A, Bianchi F, Braggio S, Castelletti L, Cavallini P, Cavanni P, Cremonesi S, Dal Cin M, Feriani A, Oliosi B, Semeraro T, Tarsi L, Tomelleri S, Wong A, Visentini F, Zonzini L, Heidbreder C.: 1,2,4-Triazolyl octahydropyrrolo[2,3-b]pyrroles: A new series of potent and selective dopamine D3 receptor antagonists. Bioorg Med Chem, Volume 24 (8), 2016 Bioorg Med Chem 2016 26951894
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Micheli F, Cavanni P, Andreotti D, Arban R, Benedetti R,...
Micheli F, Cavanni P, Andreotti D, Arban R, Benedetti R, Bertani B, Bettati M, Bettelini L, Bonanomi G, Braggio S, Carletti R, Checchia A, Corsi M, Fazzolari E, Fontana S, Marchioro C, Merlo-Pich E, Negri M, Oliosi B, Ratti E, Read KD, Roscic M, Sartori I, Spada S, Tedesco G, Tarsi L, Terreni S, Visentini F, Zocchi A, Zonzini L, Di Fabio R.
6-(3,4-dichlorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane: a new potent and selective triple reuptake... Micheli F, Cavanni P, Andreotti D, Arban R, Benedetti R, Bertani B, Bettati M, Bettelini L, Bonanomi G, Braggio S, Carletti R, Checchia A, Corsi M, Fazzolari E, Fontana S, Marchioro C, Merlo-Pich E, Negri M, Oliosi B, Ratti E, Read KD, Roscic M, Sartori I, Spada S, Tedesco G, Tarsi L, Terreni S, Visentini F, Zocchi A, Zonzini L, Di Fabio R.: 6-(3,4-dichlorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane: a new potent and selective triple reuptake inhibitor. J Med Chem, Volume 53 (13), 2010 J Med Chem 2010 20527970
Total substances: 11
Total passive interactions: 0
Total active interactions: 11
Micheli F, Cavanni P, Arban R, Benedetti R, Bertani B,...
Micheli F, Cavanni P, Arban R, Benedetti R, Bertani B, Bettati M, Bettelini L, Bonanomi G, Braggio S, Checchia A, Davalli S, Di Fabio R, Fazzolari E, Fontana S, Marchioro C, Minick D, Negri M, Oliosi B, Read KD, Sartori I, Tedesco G, Tarsi L, Terreni S, Visentini F, Zocchi A, Zonzini L.
1-(Aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes and 6-(aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes: a new... Micheli F, Cavanni P, Arban R, Benedetti R, Bertani B, Bettati M, Bettelini L, Bonanomi G, Braggio S, Checchia A, Davalli S, Di Fabio R, Fazzolari E, Fontana S, Marchioro C, Minick D, Negri M, Oliosi B, Read KD, Sartori I, Tedesco G, Tarsi L, Terreni S, Visentini F, Zocchi A, Zonzini L.: 1-(Aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes and 6-(aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes: a new series of potent and selective triple reuptake inhibitors. J Med Chem, Volume 53 (6), 2010 J Med Chem 2010 20170186
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Micheli F, Cavanni P, Bettati M, Bonanomi G, Di Fabio R,...
Micheli F, Cavanni P, Bettati M, Bonanomi G, Di Fabio R, Fazzolari E, Marchioro C, Roscic M, Tarsi L, Visentini F, Zonzini L, Worby A.
1-Heteroaryl-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane: further insights into a class of triple re-uptake... Micheli F, Cavanni P, Bettati M, Bonanomi G, Di Fabio R, Fazzolari E, Marchioro C, Roscic M, Tarsi L, Visentini F, Zonzini L, Worby A.: 1-Heteroaryl-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane: further insights into a class of triple re-uptake inhibitors. Bioorg Med Chem, Volume 19 (11), 2011 Bioorg Med Chem 2011 21550808
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Michellys PY, Chen B, Jiang T, Jin Y, Lu W, Marsilje TH,...
Michellys PY, Chen B, Jiang T, Jin Y, Lu W, Marsilje TH, Pei W, Uno T, Zhu X, Wu B, Nguyen TN, Bursulaya B, Lee C, Li N, Kim S, Tuntland T, Liu B, Sun F, Steffy A, Hood T.
Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors. Michellys PY, Chen B, Jiang T, Jin Y, Lu W, Marsilje TH, Pei W, Uno T, Zhu X, Wu B, Nguyen TN, Bursulaya B, Lee C, Li N, Kim S, Tuntland T, Liu B, Sun F, Steffy A, Hood T.: Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors. Bioorg Med Chem Lett, Volume 26 (3), 2016 Bioorg Med Chem Lett 2016 26750252
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Mikkaichi T, Suzuki T, Onogawa T, Tanemoto M, Mizutamari H,...
Mikkaichi T, Suzuki T, Onogawa T, Tanemoto M, Mizutamari H, Okada M, Chaki T, Masuda S, Tokui T, Eto N, Abe M, Satoh F, Unno M, Hishinuma T, Inui K, Ito S, Goto J, Abe T.
Isolation and characterization of a digoxin transporter and its rat homologue expressed in the kidney. Mikkaichi T, Suzuki T, Onogawa T, Tanemoto M, Mizutamari H, Okada M, Chaki T, Masuda S, Tokui T, Eto N, Abe M, Satoh F, Unno M, Hishinuma T, Inui K, Ito S, Goto J, Abe T.: Isolation and characterization of a digoxin transporter and its rat homologue expressed in the kidney. Proc Natl Acad Sci U S A, Volume 101 (10), 2004 Proc Natl Acad Sci U S A 2004 14993604
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Miles DH, Yan X, Thomas-Tran R, Fournier J, Sharif EU, Drew...
Miles DH, Yan X, Thomas-Tran R, Fournier J, Sharif EU, Drew SL, Mata G, Lawson KV, Ginn E, Wong K, Soni D, Dhanota P, Shaqfeh SG, Meleza C, Chen A, Pham AT, Park T, Swinarski D, Banuelos J, Schindler U, Walters MJ, Walker NP, Zhao X, Young SW, Chen J, Jin L, Leleti MR, Powers JP, Jeffrey JL.
Discovery of Potent and Selective 7-Azaindole Isoindolinone-Based PI3Kγ Inhibitors. Miles DH, Yan X, Thomas-Tran R, Fournier J, Sharif EU, Drew SL, Mata G, Lawson KV, Ginn E, Wong K, Soni D, Dhanota P, Shaqfeh SG, Meleza C, Chen A, Pham AT, Park T, Swinarski D, Banuelos J, Schindler U, Walters MJ, Walker NP, Zhao X, Young SW, Chen J, Jin L, Leleti MR, Powers JP, Jeffrey JL.: Discovery of Potent and Selective 7-Azaindole Isoindolinone-Based PI3Kγ Inhibitors. ACS Med Chem Lett, Volume 11 (11), 2020 ACS Med Chem Lett 2020 33214836
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Miles JA, Kapure JS, Deora GS, Courageux C, Igert A, Dias...
Miles JA, Kapure JS, Deora GS, Courageux C, Igert A, Dias J, McGeary RP, Brazzolotto X, Ross BP.
Rapid discovery of a selective butyrylcholinesterase inhibitor using structure-based virtual screening. Miles JA, Kapure JS, Deora GS, Courageux C, Igert A, Dias J, McGeary RP, Brazzolotto X, Ross BP.: Rapid discovery of a selective butyrylcholinesterase inhibitor using structure-based virtual screening. Bioorg Med Chem Lett, Volume 30 (24), 2020 Bioorg Med Chem Lett 2020 33039562
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Milite C, Feoli A, Horton JR, Rescigno D, Cipriano A,...
Milite C, Feoli A, Horton JR, Rescigno D, Cipriano A, Pisapia V, Viviano M, Pepe G, Amendola G, Novellino E, Cosconati S, Cheng X, Castellano S, Sbardella G.
Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design,... Milite C, Feoli A, Horton JR, Rescigno D, Cipriano A, Pisapia V, Viviano M, Pepe G, Amendola G, Novellino E, Cosconati S, Cheng X, Castellano S, Sbardella G.: Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30753076
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Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA,...
Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.
Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018 J Med Chem 2018 29350534
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Milner E, Gardner S, Moon J, Grauer K, Auschwitz J,...
Milner E, Gardner S, Moon J, Grauer K, Auschwitz J, Bathurst I, Caridha D, Gerena L, Gettayacamin M, Johnson J, Kozar M, Lee P, Leed S, Li Q, McCalmont W, Melendez V, Roncal N, Sciotti R, Smith B, Sousa J, Tungtaeng A, Wipf P, Dow G.
Structure-activity relationships of 4-position diamine quinoline methanols as intermittent preventative treatment (IPT)... Milner E, Gardner S, Moon J, Grauer K, Auschwitz J, Bathurst I, Caridha D, Gerena L, Gettayacamin M, Johnson J, Kozar M, Lee P, Leed S, Li Q, McCalmont W, Melendez V, Roncal N, Sciotti R, Smith B, Sousa J, Tungtaeng A, Wipf P, Dow G.: Structure-activity relationships of 4-position diamine quinoline methanols as intermittent preventative treatment (IPT) against Plasmodium falciparum. J Med Chem, Volume 54 (18), 2011 J Med Chem 2011 21854078
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Milner E, McCalmont W, Bhonsle J, Caridha D, Carroll D,...
Milner E, McCalmont W, Bhonsle J, Caridha D, Carroll D, Gardner S, Gerena L, Gettayacamin M, Lanteri C, Luong T, Melendez V, Moon J, Roncal N, Sousa J, Tungtaeng A, Wipf P, Dow G.
Structure-activity relationships amongst 4-position quinoline methanol antimalarials that inhibit the growth of drug... Milner E, McCalmont W, Bhonsle J, Caridha D, Carroll D, Gardner S, Gerena L, Gettayacamin M, Lanteri C, Luong T, Melendez V, Moon J, Roncal N, Sousa J, Tungtaeng A, Wipf P, Dow G.: Structure-activity relationships amongst 4-position quinoline methanol antimalarials that inhibit the growth of drug sensitive and resistant strains of Plasmodium falciparum. Bioorg Med Chem Lett, Volume 20 (4), 2010 Bioorg Med Chem Lett 2010 20097070
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Min J, Guo K, Suryadevara PK, Zhu F, Holbrook G, Chen Y,...
Min J, Guo K, Suryadevara PK, Zhu F, Holbrook G, Chen Y, Feau C, Young BM, Lemoff A, Connelly MC, Kastan MB, Guy RK.
Optimization of a Novel Series of Ataxia-Telangiectasia Mutated Kinase Inhibitors as Potential Radiosensitizing Agents. Min J, Guo K, Suryadevara PK, Zhu F, Holbrook G, Chen Y, Feau C, Young BM, Lemoff A, Connelly MC, Kastan MB, Guy RK.: Optimization of a Novel Series of Ataxia-Telangiectasia Mutated Kinase Inhibitors as Potential Radiosensitizing Agents. J Med Chem, Volume 59 (2), 2016 J Med Chem 2016 26632965
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Minematsu T, Giacomini KM.
Minematsu T, Giacomini KM.
Interactions of tyrosine kinase inhibitors with organic cation transporters and multidrug and toxic compound extrusion... Minematsu T, Giacomini KM.: Interactions of tyrosine kinase inhibitors with organic cation transporters and multidrug and toxic compound extrusion proteins. Mol Cancer Ther, Volume 10 (3), 2011 Mol Cancer Ther 2011 21252289
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Minematsu T, Iwai M, Umehara K, Usui T, Kamimura H.
Minematsu T, Iwai M, Umehara K, Usui T, Kamimura H.
Characterization of human organic cation transporter 1 (OCT1/SLC22A1)- and OCT2 (SLC22A2)-mediated transport of... Minematsu T, Iwai M, Umehara K, Usui T, Kamimura H.: Characterization of human organic cation transporter 1 (OCT1/SLC22A1)- and OCT2 (SLC22A2)-mediated transport of 1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)- 4,9-dihydro-1H-naphtho[2,3-d]imidazolium bromide (YM155 monobromide), a novel small molecule survivin suppressant. Drug Metab Dispos, Volume 38 (1), 2010 Drug Metab Dispos 2010 19833842
Total substances: 10
Total passive interactions: 0
Total active interactions: 10
Minetti P, Tinti MO, Carminati P, Castorina M, Di Cesare...
Minetti P, Tinti MO, Carminati P, Castorina M, Di Cesare MA, Di Serio S, Gallo G, Ghirardi O, Giorgi F, Giorgi L, Piersanti G, Bartoccini F, Tarzia G.
2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists.... Minetti P, Tinti MO, Carminati P, Castorina M, Di Cesare MA, Di Serio S, Gallo G, Ghirardi O, Giorgi F, Giorgi L, Piersanti G, Bartoccini F, Tarzia G.: 2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacological characterization. J Med Chem, Volume 48 (22), 2005 J Med Chem 2005 16250647
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Ming X, Ju W, Wu H, Tidwell RR, Hall JE, Thakker DR.
Ming X, Ju W, Wu H, Tidwell RR, Hall JE, Thakker DR.
Transport of dicationic drugs pentamidine and furamidine by human organic cation transporters. Ming X, Ju W, Wu H, Tidwell RR, Hall JE, Thakker DR.: Transport of dicationic drugs pentamidine and furamidine by human organic cation transporters. Drug Metab Dispos, Volume 37 (2), 2009 Drug Metab Dispos 2009 18971316
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Minuesa G, Volk C, Molina-Arcas M, Gorboulev V, Erkizia I,...
Minuesa G, Volk C, Molina-Arcas M, Gorboulev V, Erkizia I, Arndt P, Clotet B, Pastor-Anglada M, Koepsell H, Martinez-Picado J.
Transport of lamivudine [(-)-beta-L-2',3'-dideoxy-3'-thiacytidine] and high-affinity interaction of nucleoside reverse... Minuesa G, Volk C, Molina-Arcas M, Gorboulev V, Erkizia I, Arndt P, Clotet B, Pastor-Anglada M, Koepsell H, Martinez-Picado J.: Transport of lamivudine [(-)-beta-L-2',3'-dideoxy-3'-thiacytidine] and high-affinity interaction of nucleoside reverse transcriptase inhibitors with human organic cation transporters 1, 2, and 3. J Pharmacol Exp Ther, Volume 329 (1), 2009 J Pharmacol Exp Ther 2009 19141712
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Mirams GR, Cui Y, Sher A, Fink M, Cooper J, Heath BM,...
Mirams GR, Cui Y, Sher A, Fink M, Cooper J, Heath BM, McMahon NC, Gavaghan DJ, Noble D.
Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk. Mirams GR, Cui Y, Sher A, Fink M, Cooper J, Heath BM, McMahon NC, Gavaghan DJ, Noble D.: Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk. Cardiovasc Res, Volume 91 (1), 2011 Cardiovasc Res 2011 21300721
Total substances: 29
Total passive interactions: 0
Total active interactions: 29
Mirams GR, Davies MR, Brough SJ, Bridgland-Taylor MH, Cui...
Mirams GR, Davies MR, Brough SJ, Bridgland-Taylor MH, Cui Y, Gavaghan DJ, Abi-Gerges N.
Prediction of Thorough QT study results using action potential simulations based on ion channel screens. Mirams GR, Davies MR, Brough SJ, Bridgland-Taylor MH, Cui Y, Gavaghan DJ, Abi-Gerges N.: Prediction of Thorough QT study results using action potential simulations based on ion channel screens. J Pharmacol Toxicol Methods, Volume 70 (3), 2014 J Pharmacol Toxicol Methods 2014 25087753
Total substances: 34
Total passive interactions: 0
Total active interactions: 60
Mirguet O, Sautet S, Clément CA, Toum J, Donche F, Marques...
Mirguet O, Sautet S, Clément CA, Toum J, Donche F, Marques C, Rondet E, Pizzonero M, Beaufils B, Dudit Y, Huet P, Trottet L, Grondin P, Brusq JM, Boursier E, Saintillan Y, Nicodeme E.
Discovery of Pyridones As Oral AMPK Direct Activators. Mirguet O, Sautet S, Clément CA, Toum J, Donche F, Marques C, Rondet E, Pizzonero M, Beaufils B, Dudit Y, Huet P, Trottet L, Grondin P, Brusq JM, Boursier E, Saintillan Y, Nicodeme E.: Discovery of Pyridones As Oral AMPK Direct Activators. ACS Med Chem Lett, Volume 4 (7), 2013 ACS Med Chem Lett 2013 24900722
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Mishima S., Trenberth S. M.
Mishima S., Trenberth S. M.
Permeability of the Corneal Endothelium to Nonelectrolytes Mishima S., Trenberth S. M.: Permeability of the Corneal Endothelium to Nonelectrolytes. Investigative Ophthalmol. Vis. Sci., 7, 34–43, 1968. Investigative Ophthalmol. Vis. Sci. 1968
Total substances: 3
Total passive interactions: 3
Total active interactions: 0
Mitchell LH, Boriack-Sjodin PA, Smith S, Thomenius M, Rioux...
Mitchell LH, Boriack-Sjodin PA, Smith S, Thomenius M, Rioux N, Munchhof M, Mills JE, Klaus C, Totman J, Riera TV, Raimondi A, Jacques SL, West K, Foley M, Waters NJ, Kuntz KW, Wigle TJ, Scott MP, Copeland RA, Smith JJ, Chesworth R.
Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. Mitchell LH, Boriack-Sjodin PA, Smith S, Thomenius M, Rioux N, Munchhof M, Mills JE, Klaus C, Totman J, Riera TV, Raimondi A, Jacques SL, West K, Foley M, Waters NJ, Kuntz KW, Wigle TJ, Scott MP, Copeland RA, Smith JJ, Chesworth R.: Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. ACS Med Chem Lett, Volume 7 (2), 2016 ACS Med Chem Lett 2016 26985287
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Mitchell LH, Drew AE, Ribich SA, Rioux N, Swinger KK,...
Mitchell LH, Drew AE, Ribich SA, Rioux N, Swinger KK, Jacques SL, Lingaraj T, Boriack-Sjodin PA, Waters NJ, Wigle TJ, Moradei O, Jin L, Riera T, Porter-Scott M, Moyer MP, Smith JJ, Chesworth R, Copeland RA.
Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound. Mitchell LH, Drew AE, Ribich SA, Rioux N, Swinger KK, Jacques SL, Lingaraj T, Boriack-Sjodin PA, Waters NJ, Wigle TJ, Moradei O, Jin L, Riera T, Porter-Scott M, Moyer MP, Smith JJ, Chesworth R, Copeland RA.: Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound. ACS Med Chem Lett, Volume 6 (6), 2015 ACS Med Chem Lett 2015 26101569
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Mitomo H, Kato R, Ito A, Kasamatsu S, Ikegami Y, Kii I,...
Mitomo H, Kato R, Ito A, Kasamatsu S, Ikegami Y, Kii I, Kudo A, Kobatake E, Sumino Y, Ishikawa T.
A functional study on polymorphism of the ATP-binding cassette transporter ABCG2: critical role of arginine-482 in... Mitomo H, Kato R, Ito A, Kasamatsu S, Ikegami Y, Kii I, Kudo A, Kobatake E, Sumino Y, Ishikawa T.: A functional study on polymorphism of the ATP-binding cassette transporter ABCG2: critical role of arginine-482 in methotrexate transport. Biochem J, Volume 373 (pt 3), 2003 Biochem J 2003 12741957
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Miwa S, Yokota M, Ueyama Y, Maeda K, Ogoshi Y, Seki N,...
Miwa S, Yokota M, Ueyama Y, Maeda K, Ogoshi Y, Seki N, Ogawa N, Nishihata J, Nomura A, Adachi T, Kitao Y, Nozawa K, Ishikawa T, Ukaji Y, Shiozaki M.
Discovery of Selective Transforming Growth Factor β Type II Receptor Inhibitors as Antifibrosis Agents. Miwa S, Yokota M, Ueyama Y, Maeda K, Ogoshi Y, Seki N, Ogawa N, Nishihata J, Nomura A, Adachi T, Kitao Y, Nozawa K, Ishikawa T, Ukaji Y, Shiozaki M.: Discovery of Selective Transforming Growth Factor β Type II Receptor Inhibitors as Antifibrosis Agents. ACS Med Chem Lett, Volume 12 (5), 2021 ACS Med Chem Lett 2021 34055221
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Miyachi H, Yuzuriha T, Tabata R, Fukuda S, Nunomura K, Lin...
Miyachi H, Yuzuriha T, Tabata R, Fukuda S, Nunomura K, Lin B, Kobayashi T, Ishimoto K, Doi T, Tachibana K.
Structural development of 1H-pyrazolo-[3,4-b]pyridine-4-carboxylic acid derivatives as human peroxisome... Miyachi H, Yuzuriha T, Tabata R, Fukuda S, Nunomura K, Lin B, Kobayashi T, Ishimoto K, Doi T, Tachibana K.: Structural development of 1H-pyrazolo-[3,4-b]pyridine-4-carboxylic acid derivatives as human peroxisome proliferator-activated receptor alpha (PPARα)-selective agonists. Bioorg Med Chem Lett, Volume 29 (16), 2019 Bioorg Med Chem Lett 2019 31320147
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Miyata K, Nakagawa Y, Kimura Y, Ueda K, Akamatsu M.
Miyata K, Nakagawa Y, Kimura Y, Ueda K, Akamatsu M.
Structure-activity relationships of dibenzoylhydrazines for the inhibition of P-glycoprotein-mediated quinidine... Miyata K, Nakagawa Y, Kimura Y, Ueda K, Akamatsu M.: Structure-activity relationships of dibenzoylhydrazines for the inhibition of P-glycoprotein-mediated quinidine transport. Bioorg Med Chem, Volume 24 (14), 2016 Bioorg Med Chem 2016 27262425
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Mizojiri R, Asano M, Sasaki M, Satoh Y, Yamamoto Y, Sumi H,...
Mizojiri R, Asano M, Sasaki M, Satoh Y, Yamamoto Y, Sumi H, Maezaki H.
The identification and pharmacological evaluation of potent, selective and orally available ACC1 inhibitor. Mizojiri R, Asano M, Sasaki M, Satoh Y, Yamamoto Y, Sumi H, Maezaki H.: The identification and pharmacological evaluation of potent, selective and orally available ACC1 inhibitor. Bioorg Med Chem Lett, Volume 29 (23), 2019 Bioorg Med Chem Lett 2019 31672259
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Mizojiri R, Asano M, Tomita D, Banno H, Nii N, Sasaki M,...
Mizojiri R, Asano M, Tomita D, Banno H, Nii N, Sasaki M, Sumi H, Satoh Y, Yamamoto Y, Moriya T, Satomi Y, Maezaki H.
Discovery of Novel Selective Acetyl-CoA Carboxylase (ACC) 1 Inhibitors. Mizojiri R, Asano M, Tomita D, Banno H, Nii N, Sasaki M, Sumi H, Satoh Y, Yamamoto Y, Moriya T, Satomi Y, Maezaki H.: Discovery of Novel Selective Acetyl-CoA Carboxylase (ACC) 1 Inhibitors. J Med Chem, Volume 61 (3), 2018 J Med Chem 2018 29232514
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Mladenova G, Annedi SC, Ramnauth J, Maddaford SP, Rakhit S,...
Mladenova G, Annedi SC, Ramnauth J, Maddaford SP, Rakhit S, Andrews JS, Zhang D, Porreca F.
First-in-class, dual-action, 3,5-disubstituted indole derivatives having human nitric oxide synthase (nNOS) and... Mladenova G, Annedi SC, Ramnauth J, Maddaford SP, Rakhit S, Andrews JS, Zhang D, Porreca F.: First-in-class, dual-action, 3,5-disubstituted indole derivatives having human nitric oxide synthase (nNOS) and norepinephrine reuptake inhibitory (NERI) activity for the treatment of neuropathic pain. J Med Chem, Volume 55 (7), 2012 J Med Chem 2012 22420844
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Moaddel R, Ravichandran S, Bighi F, Yamaguchi R, Wainer IW.
Moaddel R, Ravichandran S, Bighi F, Yamaguchi R, Wainer IW.
Pharmacophore modelling of stereoselective binding to the human organic cation transporter (hOCT1). Moaddel R, Ravichandran S, Bighi F, Yamaguchi R, Wainer IW.: Pharmacophore modelling of stereoselective binding to the human organic cation transporter (hOCT1). Br J Pharmacol, Volume 151 (8), 2007 Br J Pharmacol 2007 17592512
Total substances: 10
Total passive interactions: 0
Total active interactions: 10
Moffett K, Konteatis Z, Nguyen D, Shetty R, Ludington J,...
Moffett K, Konteatis Z, Nguyen D, Shetty R, Ludington J, Fujimoto T, Lee KJ, Chai X, Namboodiri H, Karpusas M, Dorsey B, Guarnieri F, Bukhtiyarova M, Springman E, Michelotti E.
Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual... Moffett K, Konteatis Z, Nguyen D, Shetty R, Ludington J, Fujimoto T, Lee KJ, Chai X, Namboodiri H, Karpusas M, Dorsey B, Guarnieri F, Bukhtiyarova M, Springman E, Michelotti E.: Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg Med Chem Lett, Volume 21 (23), 2011 Bioorg Med Chem Lett 2011 22014550
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Mohammad H, Mayhoub AS, Ghafoor A, Soofi M, Alajlouni RA,...
Mohammad H, Mayhoub AS, Ghafoor A, Soofi M, Alajlouni RA, Cushman M, Seleem MN.
Discovery and characterization of potent thiazoles versus methicillin- and vancomycin-resistant Staphylococcus aureus. Mohammad H, Mayhoub AS, Ghafoor A, Soofi M, Alajlouni RA, Cushman M, Seleem MN.: Discovery and characterization of potent thiazoles versus methicillin- and vancomycin-resistant Staphylococcus aureus. J Med Chem, Volume 57 (4), 2014 J Med Chem 2014 24387054
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Molinari A, Fallacara AL, Di Maria S, Zamperini C,...
Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.
Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018 Bioorg Med Chem Lett 2018 30262428
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Monastyrskyi A, Nilchan N, Quereda V, Noguchi Y, Ruiz C,...
Monastyrskyi A, Nilchan N, Quereda V, Noguchi Y, Ruiz C, Grant W, Cameron M, Duckett D, Roush W.
Development of dual casein kinase 1δ/1ε (CK1δ/ε) inhibitors for treatment of breast cancer. Monastyrskyi A, Nilchan N, Quereda V, Noguchi Y, Ruiz C, Grant W, Cameron M, Duckett D, Roush W.: Development of dual casein kinase 1δ/1ε (CK1δ/ε) inhibitors for treatment of breast cancer. Bioorg Med Chem, Volume 26 (3), 2018 Bioorg Med Chem 2018 29289448
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Monenschein H, Horne DB, Bartberger MD, Hitchcock SA,...
Monenschein H, Horne DB, Bartberger MD, Hitchcock SA, Nguyen TT, Patel VF, Pennington LD, Zhong W.
Structure guided P1' modifications of HEA derived β-secretase inhibitors for the treatment of Alzheimer's disease. Monenschein H, Horne DB, Bartberger MD, Hitchcock SA, Nguyen TT, Patel VF, Pennington LD, Zhong W.: Structure guided P1' modifications of HEA derived β-secretase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 22 (11), 2012 Bioorg Med Chem Lett 2012 22572583
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Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M,...
Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.
Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological... Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017 Eur J Med Chem 2017 28242552
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Monks NR, Liu S, Xu Y, Yu H, Bendelow AS, Moscow JA.
Monks NR, Liu S, Xu Y, Yu H, Bendelow AS, Moscow JA.
Potent cytotoxicity of the phosphatase inhibitor microcystin LR and microcystin analogues in OATP1B1- and... Monks NR, Liu S, Xu Y, Yu H, Bendelow AS, Moscow JA.: Potent cytotoxicity of the phosphatase inhibitor microcystin LR and microcystin analogues in OATP1B1- and OATP1B3-expressing HeLa cells. Mol Cancer Ther, Volume 6 (2), 2007 Mol Cancer Ther 2007 17308056
Total substances: 5
Total passive interactions: 0
Total active interactions: 8
Monsen PJ, Luzzio FA.
Monsen PJ, Luzzio FA.
Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina... Monsen PJ, Luzzio FA.: Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina triloba. J Nat Prod, Volume 81 (8), 2018 J Nat Prod 2018 30028612
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Moradi SV, Mansfeld FM, Toth I.
Moradi SV, Mansfeld FM, Toth I.
Synthesis and in vitro evaluation of glycosyl derivatives of luteinizing hormone-releasing hormone (LHRH). Moradi SV, Mansfeld FM, Toth I.: Synthesis and in vitro evaluation of glycosyl derivatives of luteinizing hormone-releasing hormone (LHRH). Bioorg Med Chem, Volume 21 (14), 2013 Bioorg Med Chem 2013 23712085
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Moreau B, O'Meara JA, Bordeleau J, Garneau M, Godbout C,...
Moreau B, O'Meara JA, Bordeleau J, Garneau M, Godbout C, Gorys V, Leblanc M, Villemure E, White PW, Llinàs-Brunet M.
Discovery of hepatitis C virus NS3-4A protease inhibitors with improved barrier to resistance and favorable liver... Moreau B, O'Meara JA, Bordeleau J, Garneau M, Godbout C, Gorys V, Leblanc M, Villemure E, White PW, Llinàs-Brunet M.: Discovery of hepatitis C virus NS3-4A protease inhibitors with improved barrier to resistance and favorable liver distribution. J Med Chem, Volume 57 (5), 2014 J Med Chem 2014 23506530
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Moreira da Silva R, Verjee S, de Gaitani CM, Moraes de...
Moreira da Silva R, Verjee S, de Gaitani CM, Moraes de Oliveira AR, Pires Bueno PC, Cavalheiro AJ, Peporine Lopes N, Butterweck V.
Evaluation of the Intestinal Absorption Mechanism of Casearin X in Caco-2 Cells with Modified Carboxylesterase Activity. Moreira da Silva R, Verjee S, de Gaitani CM, Moraes de Oliveira AR, Pires Bueno PC, Cavalheiro AJ, Peporine Lopes N, Butterweck V.: Evaluation of the Intestinal Absorption Mechanism of Casearin X in Caco-2 Cells with Modified Carboxylesterase Activity. J Nat Prod, Volume 79 (4), 2016 J Nat Prod 2016 26990770
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Mores A, Matziari M, Beau F, Cuniasse P, Yiotakis A, Dive V.
Mores A, Matziari M, Beau F, Cuniasse P, Yiotakis A, Dive V.
Development of potent and selective phosphinic peptide inhibitors of angiotensin-converting enzyme 2. Mores A, Matziari M, Beau F, Cuniasse P, Yiotakis A, Dive V.: Development of potent and selective phosphinic peptide inhibitors of angiotensin-converting enzyme 2. J Med Chem, Volume 51 (7), 2008 J Med Chem 2008 18324760
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi...
Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.: A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci, Volume 136 (1), 2013 Toxicol Sci 2013 23956101
Total substances: 579
Total passive interactions: 0
Total active interactions: 1693
Moritz AE, Free RB, Weiner WS, Akano EO, Gandhi D, Abramyan...
Moritz AE, Free RB, Weiner WS, Akano EO, Gandhi D, Abramyan A, Keck TM, Ferrer M, Hu X, Southall N, Steiner J, Aubé J, Shi L, Frankowski KJ, Sibley DR.
Discovery, Optimization, and Characterization of ML417: A Novel and Highly Selective D3 Dopamine Receptor... Moritz AE, Free RB, Weiner WS, Akano EO, Gandhi D, Abramyan A, Keck TM, Ferrer M, Hu X, Southall N, Steiner J, Aubé J, Shi L, Frankowski KJ, Sibley DR.: Discovery, Optimization, and Characterization of ML417: A Novel and Highly Selective D3 Dopamine Receptor Agonist. J Med Chem, Volume 63 (10), 2020 J Med Chem 2020 32342685
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Morley A, Tomkinson N, Cook A, MacDonald C, Weaver R, King...
Morley A, Tomkinson N, Cook A, MacDonald C, Weaver R, King S, Jenkinson L, Unitt J, McCrae C, Phillips T.
Effect of lipophilicity modulation on inhibition of human rhinovirus capsid binders. Morley A, Tomkinson N, Cook A, MacDonald C, Weaver R, King S, Jenkinson L, Unitt J, McCrae C, Phillips T.: Effect of lipophilicity modulation on inhibition of human rhinovirus capsid binders. Bioorg Med Chem Lett, Volume 21 (20), 2011 Bioorg Med Chem Lett 2011 21907579
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Morley AD, Kenny PW, Burton B, Heald RA, Macfaul PA,...
Morley AD, Kenny PW, Burton B, Heald RA, Macfaul PA, Mullett J, Page K, Porres SS, Ribeiro LR, Smith P, Ward S, Wilkinson TJ.
5-Aminopyrimidin-2-ylnitriles as cathepsin K inhibitors. Morley AD, Kenny PW, Burton B, Heald RA, Macfaul PA, Mullett J, Page K, Porres SS, Ribeiro LR, Smith P, Ward S, Wilkinson TJ.: 5-Aminopyrimidin-2-ylnitriles as cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 19 (6), 2009 Bioorg Med Chem Lett 2009 19231183
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Morozzi C, Sedláková J, Serpi M, Avigliano M, Carbajo R,...
Morozzi C, Sedláková J, Serpi M, Avigliano M, Carbajo R, Sandoval L, Valles-Ayoub Y, Crutcher P, Thomas S, Pertusati F.
Targeting GNE Myopathy: A Dual Prodrug Approach for the Delivery of N-Acetylmannosamine 6-Phosphate. Morozzi C, Sedláková J, Serpi M, Avigliano M, Carbajo R, Sandoval L, Valles-Ayoub Y, Crutcher P, Thomas S, Pertusati F.: Targeting GNE Myopathy: A Dual Prodrug Approach for the Delivery of N-Acetylmannosamine 6-Phosphate. J Med Chem, Volume 62 (17), 2019 J Med Chem 2019 31386361
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Morphy R, Rankovic Z.
Morphy R, Rankovic Z.
Designed multiple ligands. An emerging drug discovery paradigm. Morphy R, Rankovic Z.: Designed multiple ligands. An emerging drug discovery paradigm. J Med Chem, Volume 48 (21), 2005 J Med Chem 2005 16220969
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Morris ME, Felmlee MA.
Morris ME, Felmlee MA.
Overview of the proton-coupled MCT (SLC16A) family of transporters: characterization, function and role in the... Morris ME, Felmlee MA.: Overview of the proton-coupled MCT (SLC16A) family of transporters: characterization, function and role in the transport of the drug of abuse gamma-hydroxybutyric acid. AAPS J, Volume 10 (2), 2008 AAPS J 2008 18523892
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Mortensen DS, Perrin-Ninkovic SM, Shevlin G, Elsner J, Zhao...
Mortensen DS, Perrin-Ninkovic SM, Shevlin G, Elsner J, Zhao J, Whitefield B, Tehrani L, Sapienza J, Riggs JR, Parnes JS, Papa P, Packard G, Lee BG, Harris R, Correa M, Bahmanyar S, Richardson SJ, Peng SX, Leisten J, Khambatta G, Hickman M, Gamez JC, Bisonette RR, Apuy J, Cathers BE, Canan SS, Moghaddam MF, Raymon HK, Worland P, Narla RK, Fultz KE, Sankar S.
Optimization of a Series of Triazole Containing Mammalian Target of Rapamycin (mTOR) Kinase Inhibitors and the... Mortensen DS, Perrin-Ninkovic SM, Shevlin G, Elsner J, Zhao J, Whitefield B, Tehrani L, Sapienza J, Riggs JR, Parnes JS, Papa P, Packard G, Lee BG, Harris R, Correa M, Bahmanyar S, Richardson SJ, Peng SX, Leisten J, Khambatta G, Hickman M, Gamez JC, Bisonette RR, Apuy J, Cathers BE, Canan SS, Moghaddam MF, Raymon HK, Worland P, Narla RK, Fultz KE, Sankar S.: Optimization of a Series of Triazole Containing Mammalian Target of Rapamycin (mTOR) Kinase Inhibitors and the Discovery of CC-115. J Med Chem, Volume 58 (14), 2015 J Med Chem 2015 26102506
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Morwick T, Berry A, Brickwood J, Cardozo M, Catron K,...
Morwick T, Berry A, Brickwood J, Cardozo M, Catron K, DeTuri M, Emeigh J, Homon C, Hrapchak M, Jacober S, Jakes S, Kaplita P, Kelly TA, Ksiazek J, Liuzzi M, Magolda R, Mao C, Marshall D, McNeil D, Prokopowicz A, Sarko C, Scouten E, Sledziona C, Sun S, Watrous J, Wu JP, Cywin CL.
Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. Morwick T, Berry A, Brickwood J, Cardozo M, Catron K, DeTuri M, Emeigh J, Homon C, Hrapchak M, Jacober S, Jakes S, Kaplita P, Kelly TA, Ksiazek J, Liuzzi M, Magolda R, Mao C, Marshall D, McNeil D, Prokopowicz A, Sarko C, Scouten E, Sledziona C, Sun S, Watrous J, Wu JP, Cywin CL.: Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem, Volume 49 (10), 2006 J Med Chem 2006 16686533
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Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E,...
Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.
Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010 J Med Chem 2010 20000469
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Mosley CA, Myers SJ, Murray EE, Santangelo R, Tahirovic YA,...
Mosley CA, Myers SJ, Murray EE, Santangelo R, Tahirovic YA, Kurtkaya N, Mullasseril P, Yuan H, Lyuboslavsky P, Le P, Wilson LJ, Yepes M, Dingledine R, Traynelis SF, Liotta DC.
Synthesis, structural activity-relationships, and biological evaluation of novel amide-based allosteric binding site... Mosley CA, Myers SJ, Murray EE, Santangelo R, Tahirovic YA, Kurtkaya N, Mullasseril P, Yuan H, Lyuboslavsky P, Le P, Wilson LJ, Yepes M, Dingledine R, Traynelis SF, Liotta DC.: Synthesis, structural activity-relationships, and biological evaluation of novel amide-based allosteric binding site antagonists in NR1A/NR2B N-methyl-D-aspartate receptors. Bioorg Med Chem, Volume 17 (17), 2009 Bioorg Med Chem 2009 19648014
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Moslin R, Zhang Y, Wrobleski ST, Lin S, Mertzman M, Spergel...
Moslin R, Zhang Y, Wrobleski ST, Lin S, Mertzman M, Spergel S, Tokarski JS, Strnad J, Gillooly K, McIntyre KW, Zupa-Fernandez A, Cheng L, Sun H, Chaudhry C, Huang C, D'Arienzo C, Heimrich E, Yang X, Muckelbauer JK, Chang C, Tredup J, Mulligan D, Xie D, Aranibar N, Chiney M, Burke JR, Lombardo L, Carter PH, Weinstein DS.
Identification of N-Methyl Nicotinamide and N-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands... Moslin R, Zhang Y, Wrobleski ST, Lin S, Mertzman M, Spergel S, Tokarski JS, Strnad J, Gillooly K, McIntyre KW, Zupa-Fernandez A, Cheng L, Sun H, Chaudhry C, Huang C, D'Arienzo C, Heimrich E, Yang X, Muckelbauer JK, Chang C, Tredup J, Mulligan D, Xie D, Aranibar N, Chiney M, Burke JR, Lombardo L, Carter PH, Weinstein DS.: Identification of N-Methyl Nicotinamide and N-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2). J Med Chem, Volume 62 (20), 2019 J Med Chem 2019 31314518
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Motohashi H, Uwai Y, Hiramoto K, Okuda M, Inui K.
Motohashi H, Uwai Y, Hiramoto K, Okuda M, Inui K.
Different transport properties between famotidine and cimetidine by human renal organic ion transporters (SLC22A). Motohashi H, Uwai Y, Hiramoto K, Okuda M, Inui K.: Different transport properties between famotidine and cimetidine by human renal organic ion transporters (SLC22A). Eur J Pharmacol, Volume 503 (1-3), 2004 Eur J Pharmacol 2004 15496291
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Motojima M, Hosokawa A, Yamato H, Muraki T, Yoshioka T.
Motojima M, Hosokawa A, Yamato H, Muraki T, Yoshioka T.
Uraemic toxins induce proximal tubular injury via organic anion transporter 1-mediated uptake. Motojima M, Hosokawa A, Yamato H, Muraki T, Yoshioka T.: Uraemic toxins induce proximal tubular injury via organic anion transporter 1-mediated uptake. Br J Pharmacol, Volume 135 (2), 2002 Br J Pharmacol 2002 11815391
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Mougenot P, Namane C, Fett E, Camy F, Dadji-Faïhun R,...
Mougenot P, Namane C, Fett E, Camy F, Dadji-Faïhun R, Langot G, Monseau C, Onofri B, Pacquet F, Pascal C, Crespin O, Ben-Hassine M, Ragot JL, Van-Pham T, Philippo C, Chatelain-Egger F, Péron P, Le Bail JC, Guillot E, Chamiot-Clerc P, Chabanaud MA, Pruniaux MP, Schmidt F, Venier O, Nicolaï E, Viviani F.
Thiadiazoles as new inhibitors of diacylglycerol acyltransferase type 1. Mougenot P, Namane C, Fett E, Camy F, Dadji-Faïhun R, Langot G, Monseau C, Onofri B, Pacquet F, Pascal C, Crespin O, Ben-Hassine M, Ragot JL, Van-Pham T, Philippo C, Chatelain-Egger F, Péron P, Le Bail JC, Guillot E, Chamiot-Clerc P, Chabanaud MA, Pruniaux MP, Schmidt F, Venier O, Nicolaï E, Viviani F.: Thiadiazoles as new inhibitors of diacylglycerol acyltransferase type 1. Bioorg Med Chem Lett, Volume 22 (7), 2012 Bioorg Med Chem Lett 2012 22405833
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Mougenot P, Namane C, Fett E, Goumy F, Dadji-Faïhun R,...
Mougenot P, Namane C, Fett E, Goumy F, Dadji-Faïhun R, Langot G, Monseau C, Onofri B, Pacquet F, Pascal C, Crespin O, Ben-Hassine M, Ragot JL, Van-Pham T, Philippo C, Chatelain-Egger F, Péron P, Le Bail JC, Guillot E, Chamiot-Clerc P, Chabanaud MA, Pruniaux MP, Ménegotto J, Schmidt F, Venier O, Viviani F, Nicolai E.
Synthesis and multiparametric evaluation of thiadiazoles and oxadiazoles as diacylglycerol acyltransferase type 1... Mougenot P, Namane C, Fett E, Goumy F, Dadji-Faïhun R, Langot G, Monseau C, Onofri B, Pacquet F, Pascal C, Crespin O, Ben-Hassine M, Ragot JL, Van-Pham T, Philippo C, Chatelain-Egger F, Péron P, Le Bail JC, Guillot E, Chamiot-Clerc P, Chabanaud MA, Pruniaux MP, Ménegotto J, Schmidt F, Venier O, Viviani F, Nicolai E.: Synthesis and multiparametric evaluation of thiadiazoles and oxadiazoles as diacylglycerol acyltransferase type 1 inhibitors. Bioorg Med Chem Lett, Volume 26 (1), 2016 Bioorg Med Chem Lett 2016 26627579
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Mould DP, Alli C, Bremberg U, Cartic S, Jordan AM, Geitmann...
Mould DP, Alli C, Bremberg U, Cartic S, Jordan AM, Geitmann M, Maiques-Diaz A, McGonagle AE, Somervaille TCP, Spencer GJ, Turlais F, Ogilvie D.
Development of (4-Cyanophenyl)glycine Derivatives as Reversible Inhibitors of Lysine Specific Demethylase 1. Mould DP, Alli C, Bremberg U, Cartic S, Jordan AM, Geitmann M, Maiques-Diaz A, McGonagle AE, Somervaille TCP, Spencer GJ, Turlais F, Ogilvie D.: Development of (4-Cyanophenyl)glycine Derivatives as Reversible Inhibitors of Lysine Specific Demethylase 1. J Med Chem, Volume 60 (19), 2017 J Med Chem 2017 28892629
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Mould DP, Bremberg U, Jordan AM, Geitmann M, Maiques-Diaz...
Mould DP, Bremberg U, Jordan AM, Geitmann M, Maiques-Diaz A, McGonagle AE, Small HF, Somervaille TCP, Ogilvie D.
Development of 5-hydroxypyrazole derivatives as reversible inhibitors of lysine specific demethylase 1. Mould DP, Bremberg U, Jordan AM, Geitmann M, Maiques-Diaz A, McGonagle AE, Small HF, Somervaille TCP, Ogilvie D.: Development of 5-hydroxypyrazole derivatives as reversible inhibitors of lysine specific demethylase 1. Bioorg Med Chem Lett, Volume 27 (14), 2017 Bioorg Med Chem Lett 2017 28545974
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Moure AL, Narula G, Sorrentino F, Bojang A, Tsui CKM, Sao...
Moure AL, Narula G, Sorrentino F, Bojang A, Tsui CKM, Sao Emani C, Porras-De Francisco E, Díaz B, Rebollo-López MJ, Torres-Gómez PA, López-Román EM, Camino I, Casado Castro P, Guijarro López L, Ortega F, Ballell L, Barros-Aguirre D, Remuiñán Blanco M, Av-Gay Y.
MymA Bioactivated Thioalkylbenzoxazole Prodrug Family Active against Mycobacterium tuberculosis. Moure AL, Narula G, Sorrentino F, Bojang A, Tsui CKM, Sao Emani C, Porras-De Francisco E, Díaz B, Rebollo-López MJ, Torres-Gómez PA, López-Román EM, Camino I, Casado Castro P, Guijarro López L, Ortega F, Ballell L, Barros-Aguirre D, Remuiñán Blanco M, Av-Gay Y.: MymA Bioactivated Thioalkylbenzoxazole Prodrug Family Active against Mycobacterium tuberculosis. J Med Chem, Volume 63 (9), 2020 J Med Chem 2020 32275415
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Mowat J, Ehrmann AHM, Christian S, Sperl C, Menz S,...
Mowat J, Ehrmann AHM, Christian S, Sperl C, Menz S, Günther J, Hillig RC, Bauser M, Schwede W.
Identification of the Highly Active, Species Cross-Reactive Complex I Inhibitor BAY-179. Mowat J, Ehrmann AHM, Christian S, Sperl C, Menz S, Günther J, Hillig RC, Bauser M, Schwede W.: Identification of the Highly Active, Species Cross-Reactive Complex I Inhibitor BAY-179. ACS Med Chem Lett, Volume 13 (3), 2022 ACS Med Chem Lett 2022 35300083
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Muchtar S., Abdulrazik M., Frucht-Pery J., Benita S.
Muchtar S., Abdulrazik M., Frucht-Pery J., Benita S.
Ex-vivo permeation study of indomethacin from a submicron emulsion through albino rabbit cornea Muchtar S., Abdulrazik M., Frucht-Pery J., Benita S.: Ex-vivo permeation study of indomethacin from a submicron emulsion through albino rabbit cornea. J. Control. Release, 44, 55–64, 1997. J. Control. Release 1997 https://doi.org...
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Total active interactions: 0
Mukherjee A, Raychaudhuri D, Sinha BP, Kundu B, Mitra M,...
Mukherjee A, Raychaudhuri D, Sinha BP, Kundu B, Mitra M, Paul B, Bandopadhyay P, Ganguly D, Talukdar A.
A Chemical Switch for Transforming a Purine Agonist for Toll-like Receptor 7 to a Clinically Relevant Antagonist. Mukherjee A, Raychaudhuri D, Sinha BP, Kundu B, Mitra M, Paul B, Bandopadhyay P, Ganguly D, Talukdar A.: A Chemical Switch for Transforming a Purine Agonist for Toll-like Receptor 7 to a Clinically Relevant Antagonist. J Med Chem, Volume 63 (9), 2020 J Med Chem 2020 32302115
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Mukherjee P, Li H, Sevrioukova I, Chreifi G, Martásek P,...
Mukherjee P, Li H, Sevrioukova I, Chreifi G, Martásek P, Roman LJ, Poulos TL, Silverman RB.
Novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide... Mukherjee P, Li H, Sevrioukova I, Chreifi G, Martásek P, Roman LJ, Poulos TL, Silverman RB.: Novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide synthase. J Med Chem, Volume 58 (3), 2015 J Med Chem 2015 25489882
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Mukker JK, Michel D, Muir AD, Krol ES, Alcorn J.
Mukker JK, Michel D, Muir AD, Krol ES, Alcorn J.
Permeability and conjugative metabolism of flaxseed lignans by Caco-2 human intestinal cells. Mukker JK, Michel D, Muir AD, Krol ES, Alcorn J.: Permeability and conjugative metabolism of flaxseed lignans by Caco-2 human intestinal cells. J Nat Prod, Volume 77 (1), 2014 J Nat Prod 2014 24417583
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Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G,...
Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.
Functionalized triazines as potent HCV entry inhibitors. Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017 Bioorg Med Chem Lett 2017 28089701
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Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi...
Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.
Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer... Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019 Bioorg Med Chem Lett 2019 31327531
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Müller H, Klinkhammer W, Globisch C, Kassack MU, Pajeva...
Müller H, Klinkhammer W, Globisch C, Kassack MU, Pajeva IK, Wiese M.
New functional assay of P-glycoprotein activity using Hoechst 33342. Müller H, Klinkhammer W, Globisch C, Kassack MU, Pajeva IK, Wiese M.: New functional assay of P-glycoprotein activity using Hoechst 33342. Bioorg Med Chem, Volume 15 (23), 2007 Bioorg Med Chem 2007 17890094
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Müller J, Lips KS, Metzner L, Neubert RH, Koepsell H,...
Müller J, Lips KS, Metzner L, Neubert RH, Koepsell H, Brandsch M.
Drug specificity and intestinal membrane localization of human organic cation transporters (OCT). Müller J, Lips KS, Metzner L, Neubert RH, Koepsell H, Brandsch M.: Drug specificity and intestinal membrane localization of human organic cation transporters (OCT). Biochem Pharmacol, Volume 70 (12), 2005 Biochem Pharmacol 2005 16263091
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Munchhof MJ, Antipas AS, Blumberg LC, Brissette WH, Brown...
Munchhof MJ, Antipas AS, Blumberg LC, Brissette WH, Brown MF, Casavant JM, Doty JL, Driscoll J, Harris TM, Wolf-Gouveia LA, Jones CS, Li Q, Linde RG, Lira PD, Marfat A, McElroy E, Mitton-Fry M, McCurdy SP, Reiter LA, Ripp SL, Shavnya A, Thomasco LM, Trevena KA.
The identification of orally bioavailable thrombopoietin agonists. Munchhof MJ, Antipas AS, Blumberg LC, Brissette WH, Brown MF, Casavant JM, Doty JL, Driscoll J, Harris TM, Wolf-Gouveia LA, Jones CS, Li Q, Linde RG, Lira PD, Marfat A, McElroy E, Mitton-Fry M, McCurdy SP, Reiter LA, Ripp SL, Shavnya A, Thomasco LM, Trevena KA.: The identification of orally bioavailable thrombopoietin agonists. Bioorg Med Chem Lett, Volume 19 (5), 2009 Bioorg Med Chem Lett 2009 19186055
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Munchhof MJ, Li Q, Shavnya A, Borzillo GV, Boyden TL, Jones...
Munchhof MJ, Li Q, Shavnya A, Borzillo GV, Boyden TL, Jones CS, LaGreca SD, Martinez-Alsina L, Patel N, Pelletier K, Reiter LA, Robbins MD, Tkalcevic GT.
Discovery of PF-04449913, a Potent and Orally Bioavailable Inhibitor of Smoothened. Munchhof MJ, Li Q, Shavnya A, Borzillo GV, Boyden TL, Jones CS, LaGreca SD, Martinez-Alsina L, Patel N, Pelletier K, Reiter LA, Robbins MD, Tkalcevic GT.: Discovery of PF-04449913, a Potent and Orally Bioavailable Inhibitor of Smoothened. ACS Med Chem Lett, Volume 3 (2), 2012 ACS Med Chem Lett 2012 24900436
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Munck Af Rosenschöld M, Johannesson P, Nikitidis A,...
Munck Af Rosenschöld M, Johannesson P, Nikitidis A, Tyrchan C, Chang HF, Rönn R, Chapman D, Ullah V, Nikitidis G, Glader P, Käck H, Bonn B, Wågberg F, Björkstrand E, Andersson U, Swedin L, Rohman M, Andreasson T, Bergström EL, Jiang F, Zhou XH, Lundqvist AJ, Malmberg A, Ek M, Gordon E, Pettersen A, Ripa L, Davis AM.
Discovery of the Oral Leukotriene C4 Synthase Inhibitor... Munck Af Rosenschöld M, Johannesson P, Nikitidis A, Tyrchan C, Chang HF, Rönn R, Chapman D, Ullah V, Nikitidis G, Glader P, Käck H, Bonn B, Wågberg F, Björkstrand E, Andersson U, Swedin L, Rohman M, Andreasson T, Bergström EL, Jiang F, Zhou XH, Lundqvist AJ, Malmberg A, Ek M, Gordon E, Pettersen A, Ripa L, Davis AM.: Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma. J Med Chem, Volume 62 (17), 2019 J Med Chem 2019 31415176
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Munić V, Kelnerić Z, Mikac L, Eraković Haber V.
Munić V, Kelnerić Z, Mikac L, Eraković Haber V.
Differences in assessment of macrolide interaction with human MDR1 (ABCB1, P-gp) using rhodamine-123 efflux, ATPase... Munić V, Kelnerić Z, Mikac L, Eraković Haber V.: Differences in assessment of macrolide interaction with human MDR1 (ABCB1, P-gp) using rhodamine-123 efflux, ATPase activity and cellular accumulation assays. Eur J Pharm Sci, Volume 41 (1), 2010 Eur J Pharm Sci 2010 20621639
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Total passive interactions: 0
Total active interactions: 2
Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi...
Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.
Identification of... Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008 Bioorg Med Chem 2008 18952443
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Murray JM, Sweeney ZK, Chan BK, Balazs M, Bradley E,...
Murray JM, Sweeney ZK, Chan BK, Balazs M, Bradley E, Castanedo G, Chabot C, Chantry D, Flagella M, Goldstein DM, Kondru R, Lesnick J, Li J, Lucas MC, Nonomiya J, Pang J, Price S, Salphati L, Safina B, Savy PP, Seward EM, Ultsch M, Sutherlin DP.
Potent and highly selective benzimidazole inhibitors of PI3-kinase delta. Murray JM, Sweeney ZK, Chan BK, Balazs M, Bradley E, Castanedo G, Chabot C, Chantry D, Flagella M, Goldstein DM, Kondru R, Lesnick J, Li J, Lucas MC, Nonomiya J, Pang J, Price S, Salphati L, Safina B, Savy PP, Seward EM, Ultsch M, Sutherlin DP.: Potent and highly selective benzimidazole inhibitors of PI3-kinase delta. J Med Chem, Volume 55 (17), 2012 J Med Chem 2012 22877085
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Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A,...
Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.
Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of... Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003 J Med Chem 2003 12502366
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Musson DG, Bidgood AM, Olejnik O.
Musson DG, Bidgood AM, Olejnik O.
An in vitro comparison of the permeability of prednisolone, prednisolone sodium phosphate, and prednisolone acetate... Musson DG, Bidgood AM, Olejnik O.: An in vitro comparison of the permeability of prednisolone, prednisolone sodium phosphate, and prednisolone acetate across the NZW rabbit cornea. J Ocul Pharmacol, Volume 8 (2), 139-150, 1992 J Ocul Pharmacol 1992 1506755
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Total active interactions: 0
Muthukaman N, Deshmukh S, Tambe M, Pisal D, Tondlekar S,...
Muthukaman N, Deshmukh S, Tambe M, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Sawant P, Pisat M, Karande V, Honnegowda S, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.
Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series... Muthukaman N, Deshmukh S, Tambe M, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Sawant P, Pisat M, Karande V, Honnegowda S, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2. Bioorg Med Chem Lett, Volume 28 (7), 2018 Bioorg Med Chem Lett 2018 29519738
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Muthukaman N, Deshmukh S, Tondlekar S, Tambe M, Pisal D,...
Muthukaman N, Deshmukh S, Tondlekar S, Tambe M, Pisal D, Sarode N, Mhatre S, Chakraborti S, Shah D, Bhosale VM, Kulkarni A, Mahat MYA, Jadhav SB, Gudi GS, Khairatkar-Joshi N, Gharat LA.
Discovery of 5-(2-chloro-4'-(1H-imidazol-1-yl)-[1,1'-biphenyl]-4-yl)-1H-tetrazole as potent and orally efficacious... Muthukaman N, Deshmukh S, Tondlekar S, Tambe M, Pisal D, Sarode N, Mhatre S, Chakraborti S, Shah D, Bhosale VM, Kulkarni A, Mahat MYA, Jadhav SB, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Discovery of 5-(2-chloro-4'-(1H-imidazol-1-yl)-[1,1'-biphenyl]-4-yl)-1H-tetrazole as potent and orally efficacious S-nitrosoglutathione reductase (GSNOR) inhibitors for the potential treatment of COPD. Bioorg Med Chem Lett, Volume 28 (23-24), 2018 Bioorg Med Chem Lett 2018 30340896
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Muthukaman N, Tambe M, Deshmukh S, Pisal D, Tondlekar S,...
Muthukaman N, Tambe M, Deshmukh S, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Pisat M, Sawant P, Honnegowda S, Karande V, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.
Discovery of furan and dihydrofuran-fused tricyclic benzo[d]imidazole derivatives as potent and orally efficacious... Muthukaman N, Tambe M, Deshmukh S, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Pisat M, Sawant P, Honnegowda S, Karande V, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Discovery of furan and dihydrofuran-fused tricyclic benzo[d]imidazole derivatives as potent and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-1. Bioorg Med Chem Lett, Volume 27 (23), 2017 Bioorg Med Chem Lett 2017 29100801
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Myers MC, Bilder DM, Cavallaro CL, Chao HJ, Su S, Burford...
Myers MC, Bilder DM, Cavallaro CL, Chao HJ, Su S, Burford NT, Nayeem A, Wang T, Yan M, Langish RA, Dabros M, Li YX, Rose AV, Behnia K, Onorato JM, Gargalovic PS, Wexler RR, Lawrence RM.
Discovery and SAR of aryl hydroxy pyrimidinones as potent small molecule agonists of the GPCR APJ. Myers MC, Bilder DM, Cavallaro CL, Chao HJ, Su S, Burford NT, Nayeem A, Wang T, Yan M, Langish RA, Dabros M, Li YX, Rose AV, Behnia K, Onorato JM, Gargalovic PS, Wexler RR, Lawrence RM.: Discovery and SAR of aryl hydroxy pyrimidinones as potent small molecule agonists of the GPCR APJ. Bioorg Med Chem Lett, Volume 30 (7), 2020 Bioorg Med Chem Lett 2020 32035698
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Naclerio GA, Abutaleb NS, Li D, Seleem MN, Sintim HO.
Naclerio GA, Abutaleb NS, Li D, Seleem MN, Sintim HO.
Ultrapotent Inhibitor of Clostridioides difficile Growth, Which Suppresses Recurrence In Vivo. Naclerio GA, Abutaleb NS, Li D, Seleem MN, Sintim HO.: Ultrapotent Inhibitor of Clostridioides difficile Growth, Which Suppresses Recurrence In Vivo. J Med Chem, Volume 63 (20), 2020 J Med Chem 2020 32960605
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Nagle A, Wu T, Kuhen K, Gagaring K, Borboa R, Francek C,...
Nagle A, Wu T, Kuhen K, Gagaring K, Borboa R, Francek C, Chen Z, Plouffe D, Lin X, Caldwell C, Ek J, Skolnik S, Liu F, Wang J, Chang J, Li C, Liu B, Hollenbeck T, Tuntland T, Isbell J, Chuan T, Alper PB, Fischli C, Brun R, Lakshminarayana SB, Rottmann M, Diagana TT, Winzeler EA, Glynne R, Tully DC, Chatterjee AK.
Imidazolopiperazines: lead optimization of the second-generation antimalarial agents. Nagle A, Wu T, Kuhen K, Gagaring K, Borboa R, Francek C, Chen Z, Plouffe D, Lin X, Caldwell C, Ek J, Skolnik S, Liu F, Wang J, Chang J, Li C, Liu B, Hollenbeck T, Tuntland T, Isbell J, Chuan T, Alper PB, Fischli C, Brun R, Lakshminarayana SB, Rottmann M, Diagana TT, Winzeler EA, Glynne R, Tully DC, Chatterjee AK.: Imidazolopiperazines: lead optimization of the second-generation antimalarial agents. J Med Chem, Volume 55 (9), 2012 J Med Chem 2012 22524250
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Nagy MA, Hilgraf R, Mortensen DS, Elsner J, Norris S, Tikhe...
Nagy MA, Hilgraf R, Mortensen DS, Elsner J, Norris S, Tikhe J, Yoon W, Paisner D, Delgado M, Erdman P, Haelewyn J, Khambatta G, Xu L, Romanow WJ, Condroski K, Bahmanyar S, McCarrick M, Benish B, Blease K, LeBrun L, Moghaddam MF, Apuy J, Canan SS, Bennett BL, Satoh Y.
Discovery of the c-Jun N-Terminal Kinase Inhibitor CC-90001. Nagy MA, Hilgraf R, Mortensen DS, Elsner J, Norris S, Tikhe J, Yoon W, Paisner D, Delgado M, Erdman P, Haelewyn J, Khambatta G, Xu L, Romanow WJ, Condroski K, Bahmanyar S, McCarrick M, Benish B, Blease K, LeBrun L, Moghaddam MF, Apuy J, Canan SS, Bennett BL, Satoh Y.: Discovery of the c-Jun N-Terminal Kinase Inhibitor CC-90001. J Med Chem, Volume 64 (24), 2021 J Med Chem 2021 34894681
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Nahrstedt A, Butterweck V.
Nahrstedt A, Butterweck V.
Lessons learned from herbal medicinal products: the example of St. John's Wort (perpendicular). Nahrstedt A, Butterweck V.: Lessons learned from herbal medicinal products: the example of St. John's Wort (perpendicular). J Nat Prod, Volume 73 (5), 2010 J Nat Prod 2010 20408551
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Naidu BN, Patel M, McAuliffe B, Ding B, Cianci C,...
Naidu BN, Patel M, McAuliffe B, Ding B, Cianci C, Simmermacher J, Jenkins S, Parker DD, Sivaprakasam P, Khan JA, Kish K, Lewis H, Hanumegowda U, Krystal M, Meanwell NA, Kadow JF.
Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase... Naidu BN, Patel M, McAuliffe B, Ding B, Cianci C, Simmermacher J, Jenkins S, Parker DD, Sivaprakasam P, Khan JA, Kish K, Lewis H, Hanumegowda U, Krystal M, Meanwell NA, Kadow JF.: Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs. J Med Chem, Volume 65 (6), 2022 J Med Chem 2022 35235334
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Naidu BN, Walker MA, Sorenson ME, Ueda Y, Matiskella JD,...
Naidu BN, Walker MA, Sorenson ME, Ueda Y, Matiskella JD, Connolly TP, Dicker IB, Lin Z, Bollini S, Terry BJ, Higley H, Zheng M, Parker DD, Wu D, Adams S, Krystal MR, Meanwell NA.
The discovery and preclinical evaluation of BMS-707035, a potent HIV-1 integrase strand transfer inhibitor. Naidu BN, Walker MA, Sorenson ME, Ueda Y, Matiskella JD, Connolly TP, Dicker IB, Lin Z, Bollini S, Terry BJ, Higley H, Zheng M, Parker DD, Wu D, Adams S, Krystal MR, Meanwell NA.: The discovery and preclinical evaluation of BMS-707035, a potent HIV-1 integrase strand transfer inhibitor. Bioorg Med Chem Lett, Volume 28 (12), 2018 Bioorg Med Chem Lett 2018 29779976
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Naik M, Humnabadkar V, Tantry SJ, Panda M, Narayan A,...
Naik M, Humnabadkar V, Tantry SJ, Panda M, Narayan A, Guptha S, Panduga V, Manjrekar P, Jena LK, Koushik K, Shanbhag G, Jatheendranath S, Manjunatha MR, Gorai G, Bathula C, Rudrapatna S, Achar V, Sharma S, Ambady A, Hegde N, Mahadevaswamy J, Kaur P, Sambandamurthy VK, Awasthy D, Narayan C, Ravishankar S, Madhavapeddi P, Reddy J, Prabhakar K, Saralaya R, Chatterji M, Whiteaker J, McLaughlin B, Chiarelli LR, Riccardi G, Pasca MR, Binda C, Neres J, Dhar N, Signorino-Gelo F, McKinney JD, Ramachandran V, Shandil R, Tommasi R, Iyer PS, Narayanan S, Hosagrahara V, Kavanagh S, Dinesh N, Ghorpade SR.
4-aminoquinolone piperidine amides: noncovalent inhibitors of DprE1 with long residence time and potent... Naik M, Humnabadkar V, Tantry SJ, Panda M, Narayan A, Guptha S, Panduga V, Manjrekar P, Jena LK, Koushik K, Shanbhag G, Jatheendranath S, Manjunatha MR, Gorai G, Bathula C, Rudrapatna S, Achar V, Sharma S, Ambady A, Hegde N, Mahadevaswamy J, Kaur P, Sambandamurthy VK, Awasthy D, Narayan C, Ravishankar S, Madhavapeddi P, Reddy J, Prabhakar K, Saralaya R, Chatterji M, Whiteaker J, McLaughlin B, Chiarelli LR, Riccardi G, Pasca MR, Binda C, Neres J, Dhar N, Signorino-Gelo F, McKinney JD, Ramachandran V, Shandil R, Tommasi R, Iyer PS, Narayanan S, Hosagrahara V, Kavanagh S, Dinesh N, Ghorpade SR.: 4-aminoquinolone piperidine amides: noncovalent inhibitors of DprE1 with long residence time and potent antimycobacterial activity. J Med Chem, Volume 57 (12), 2014 J Med Chem 2014 24871036
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Nair RR, Geldenhuys WJ, Piktel D, Sadana P, Gibson LF.
Nair RR, Geldenhuys WJ, Piktel D, Sadana P, Gibson LF.
Novel compounds that target lipoprotein lipase and mediate growth arrest in acute lymphoblastic leukemia. Nair RR, Geldenhuys WJ, Piktel D, Sadana P, Gibson LF.: Novel compounds that target lipoprotein lipase and mediate growth arrest in acute lymphoblastic leukemia. Bioorg Med Chem Lett, Volume 28 (10), 2018 Bioorg Med Chem Lett 2018 29650292
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Nair S, Kumar SR, Paidi VR, Sistla R, Kantheti D, Polimera...
Nair S, Kumar SR, Paidi VR, Sistla R, Kantheti D, Polimera SR, Thangavel S, Mukherjee AJ, Das M, Bhide RS, Pitts WJ, Murugesan N, Dudhgoankar S, Nagar J, Subramani S, Mazumder D, Carman JA, Holloway DA, Li X, Fereshteh MP, Ruepp S, Palanisamy K, Mariappan TT, Maddi S, Saxena A, Elzinga P, Chimalakonda A, Ruan Q, Ghosh K, Bose S, Sack J, Yan C, Kiefer SE, Xie D, Newitt JA, Saravanakumar SP, Rampulla RA, Barrish JC, Carter PH, Hynes J.
Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis. Nair S, Kumar SR, Paidi VR, Sistla R, Kantheti D, Polimera SR, Thangavel S, Mukherjee AJ, Das M, Bhide RS, Pitts WJ, Murugesan N, Dudhgoankar S, Nagar J, Subramani S, Mazumder D, Carman JA, Holloway DA, Li X, Fereshteh MP, Ruepp S, Palanisamy K, Mariappan TT, Maddi S, Saxena A, Elzinga P, Chimalakonda A, Ruan Q, Ghosh K, Bose S, Sack J, Yan C, Kiefer SE, Xie D, Newitt JA, Saravanakumar SP, Rampulla RA, Barrish JC, Carter PH, Hynes J.: Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis. ACS Med Chem Lett, Volume 11 (7), 2020 ACS Med Chem Lett 2020 32676146
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Nakagomi-Hagihara R, Nakai D, Kawai K, Yoshigae Y, Tokui T,...
Nakagomi-Hagihara R, Nakai D, Kawai K, Yoshigae Y, Tokui T, Abe T, Ikeda T.
OATP1B1, OATP1B3, and mrp2 are involved in hepatobiliary transport of olmesartan, a novel angiotensin II blocker. Nakagomi-Hagihara R, Nakai D, Kawai K, Yoshigae Y, Tokui T, Abe T, Ikeda T.: OATP1B1, OATP1B3, and mrp2 are involved in hepatobiliary transport of olmesartan, a novel angiotensin II blocker. Drug Metab Dispos, Volume 34 (5), 2006 Drug Metab Dispos 2006 16501004
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Total passive interactions: 0
Total active interactions: 3
Nakajima K, April M, Brewer JT, Daniels T, Forster CJ,...
Nakajima K, April M, Brewer JT, Daniels T, Forster CJ, Gilmore TA, Jain M, Kanter A, Kwak Y, Li J, McQuire L, Serrano-Wu MH, Streeper R, Szklennik P, Thompson J, Wang B.
Discovery of diamide compounds as diacylglycerol acyltransferase 1 (DGAT1) inhibitors. Nakajima K, April M, Brewer JT, Daniels T, Forster CJ, Gilmore TA, Jain M, Kanter A, Kwak Y, Li J, McQuire L, Serrano-Wu MH, Streeper R, Szklennik P, Thompson J, Wang B.: Discovery of diamide compounds as diacylglycerol acyltransferase 1 (DGAT1) inhibitors. Bioorg Med Chem Lett, Volume 26 (4), 2016 Bioorg Med Chem Lett 2016 26804232
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Nakajima R, Oono H, Sugiyama S, Matsueda Y, Ida T, Kakuda...
Nakajima R, Oono H, Sugiyama S, Matsueda Y, Ida T, Kakuda S, Hirata J, Baba A, Makino A, Matsuyama R, White RD, Wurz RΡ, Shin Y, Min X, Guzman-Perez A, Wang Z, Symons A, Singh SK, Mothe SR, Belyakov S, Chakrabarti A, Shuto S.
Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable RORγt Inverse... Nakajima R, Oono H, Sugiyama S, Matsueda Y, Ida T, Kakuda S, Hirata J, Baba A, Makino A, Matsuyama R, White RD, Wurz RΡ, Shin Y, Min X, Guzman-Perez A, Wang Z, Symons A, Singh SK, Mothe SR, Belyakov S, Chakrabarti A, Shuto S.: Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable RORγt Inverse Agonists. ACS Med Chem Lett, Volume 11 (4), 2020 ACS Med Chem Lett 2020 32292560
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Nakajima Y, Inoue T, Nakai K, Mukoyoshi K, Hamaguchi H,...
Nakajima Y, Inoue T, Nakai K, Mukoyoshi K, Hamaguchi H, Hatanaka K, Sasaki H, Tanaka A, Takahashi F, Kunikawa S, Usuda H, Moritomo A, Higashi Y, Inami M, Shirakami S.
Synthesis and evaluation of novel 1H-pyrrolo[2,3-b]pyridine-5-carboxamide derivatives as potent and orally efficacious... Nakajima Y, Inoue T, Nakai K, Mukoyoshi K, Hamaguchi H, Hatanaka K, Sasaki H, Tanaka A, Takahashi F, Kunikawa S, Usuda H, Moritomo A, Higashi Y, Inami M, Shirakami S.: Synthesis and evaluation of novel 1H-pyrrolo[2,3-b]pyridine-5-carboxamide derivatives as potent and orally efficacious immunomodulators targeting JAK3. Bioorg Med Chem, Volume 23 (15), 2015 Bioorg Med Chem 2015 26071372
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Nakamori F, Naritomi Y, Hosoya K, Moriguchi H, Tetsuka K,...
Nakamori F, Naritomi Y, Hosoya K, Moriguchi H, Tetsuka K, Furukawa T, Kadono K, Yamano K, Terashita S, Teramura T.
Quantitative prediction of human intestinal glucuronidation effects on intestinal availability of... Nakamori F, Naritomi Y, Hosoya K, Moriguchi H, Tetsuka K, Furukawa T, Kadono K, Yamano K, Terashita S, Teramura T.: Quantitative prediction of human intestinal glucuronidation effects on intestinal availability of UDP-glucuronosyltransferase substrates using in vitro data. Drug Metab Dispos, Volume 40 (9), 2012 Drug Metab Dispos 2012 22685216
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Nakamura H, Fujioka S, Terui T, Okuda S, Kondo K, Tamatani...
Nakamura H, Fujioka S, Terui T, Okuda S, Kondo K, Tamatani Y, Akagi Y, Komoda Y, Kinoshita W, Ito S, Maeda K, Ukaji Y, Inaba T.
Orally bioavailable HCV NS5A inhibitors of unsymmetrical structural class. Nakamura H, Fujioka S, Terui T, Okuda S, Kondo K, Tamatani Y, Akagi Y, Komoda Y, Kinoshita W, Ito S, Maeda K, Ukaji Y, Inaba T.: Orally bioavailable HCV NS5A inhibitors of unsymmetrical structural class. Bioorg Med Chem Lett, Volume 30 (17), 2020 Bioorg Med Chem Lett 2020 32738974
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Nakano H, Hasegawa T, Imamura R, Saito N, Kojima H, Okabe...
Nakano H, Hasegawa T, Imamura R, Saito N, Kojima H, Okabe T, Nagano T.
Development of a potent and selective FLT3 kinase inhibitor by systematic expansion of a non-selective... Nakano H, Hasegawa T, Imamura R, Saito N, Kojima H, Okabe T, Nagano T.: Development of a potent and selective FLT3 kinase inhibitor by systematic expansion of a non-selective fragment-screening hit. Bioorg Med Chem Lett, Volume 26 (9), 2016 Bioorg Med Chem Lett 2016 26995531
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Nakatomi K, Yoshikawa M, Oka M, Ikegami Y, Hayasaka S, Sano...
Nakatomi K, Yoshikawa M, Oka M, Ikegami Y, Hayasaka S, Sano K, Shiozawa K, Kawabata S, Soda H, Ishikawa T, Tanabe S, Kohno S.
Transport of 7-ethyl-10-hydroxycamptothecin (SN-38) by breast cancer resistance protein ABCG2 in human lung cancer... Nakatomi K, Yoshikawa M, Oka M, Ikegami Y, Hayasaka S, Sano K, Shiozawa K, Kawabata S, Soda H, Ishikawa T, Tanabe S, Kohno S.: Transport of 7-ethyl-10-hydroxycamptothecin (SN-38) by breast cancer resistance protein ABCG2 in human lung cancer cells. Biochem Biophys Res Commun, Volume 288 (4), 2001 Biochem Biophys Res Commun 2001 11688982
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Nakhi A, Wong HL, Weldy M, Khoruts A, Sadowsky MJ, Dosa PI.
Nakhi A, Wong HL, Weldy M, Khoruts A, Sadowsky MJ, Dosa PI.
Structural modifications that increase gut restriction of bile acid derivatives. Nakhi A, Wong HL, Weldy M, Khoruts A, Sadowsky MJ, Dosa PI.: Structural modifications that increase gut restriction of bile acid derivatives. RSC Med Chem, Volume 12 (3), 2021 RSC Med Chem 2021 34046622
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Namoto K, Sirockin F, Ostermann N, Gessier F, Flohr S,...
Namoto K, Sirockin F, Ostermann N, Gessier F, Flohr S, Sedrani R, Gerhartz B, Trappe J, Hassiepen U, Duttaroy A, Ferreira S, Sutton JM, Clark DE, Fenton G, Beswick M, Baeschlin DK.
Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV. Namoto K, Sirockin F, Ostermann N, Gessier F, Flohr S, Sedrani R, Gerhartz B, Trappe J, Hassiepen U, Duttaroy A, Ferreira S, Sutton JM, Clark DE, Fenton G, Beswick M, Baeschlin DK.: Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 24 (3), 2014 Bioorg Med Chem Lett 2014 24439847
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Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM,...
Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.
Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and... Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012 J Med Chem 2012 22563729
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Napier SE, Letourneau JJ, Ansari N, Auld DS, Baker J, Best...
Napier SE, Letourneau JJ, Ansari N, Auld DS, Baker J, Best S, Campbell-Wan L, Chan R, Craighead M, Desai H, Ho KK, MacSweeney C, Milne R, Richard Morphy J, Neagu I, Ohlmeyer MH, Pick J, Presland J, Riviello C, Zanetakos HA, Zhao J, Webb ML.
Synthesis and SAR studies of novel 2-(6-aminomethylaryl-2-aryl-4-oxo-quinazolin-3(4H)-yl)acetamide vasopressin V1b... Napier SE, Letourneau JJ, Ansari N, Auld DS, Baker J, Best S, Campbell-Wan L, Chan R, Craighead M, Desai H, Ho KK, MacSweeney C, Milne R, Richard Morphy J, Neagu I, Ohlmeyer MH, Pick J, Presland J, Riviello C, Zanetakos HA, Zhao J, Webb ML.: Synthesis and SAR studies of novel 2-(6-aminomethylaryl-2-aryl-4-oxo-quinazolin-3(4H)-yl)acetamide vasopressin V1b receptor antagonists. Bioorg Med Chem Lett, Volume 21 (12), 2011 Bioorg Med Chem Lett 2011 21596563
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Nara H, Sato K, Kaieda A, Oki H, Kuno H, Santou T, Kanzaki...
Nara H, Sato K, Kaieda A, Oki H, Kuno H, Santou T, Kanzaki N, Terauchi J, Uchikawa O, Kori M.
Design, synthesis, and biological activity of novel, potent, and highly selective fused... Nara H, Sato K, Kaieda A, Oki H, Kuno H, Santou T, Kanzaki N, Terauchi J, Uchikawa O, Kori M.: Design, synthesis, and biological activity of novel, potent, and highly selective fused pyrimidine-2-carboxamide-4-one-based matrix metalloproteinase (MMP)-13 zinc-binding inhibitors. Bioorg Med Chem, Volume 24 (23), 2016 Bioorg Med Chem 2016 27825552
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Nara H, Sato K, Naito T, Mototani H, Oki H, Yamamoto Y,...
Nara H, Sato K, Naito T, Mototani H, Oki H, Yamamoto Y, Kuno H, Santou T, Kanzaki N, Terauchi J, Uchikawa O, Kori M.
Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13... Nara H, Sato K, Naito T, Mototani H, Oki H, Yamamoto Y, Kuno H, Santou T, Kanzaki N, Terauchi J, Uchikawa O, Kori M.: Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach. J Med Chem, Volume 57 (21), 2014 J Med Chem 2014 25264600
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Narjes F, Llinas A, von Berg S, Jirholt J, Lever S, Pehrson...
Narjes F, Llinas A, von Berg S, Jirholt J, Lever S, Pehrson R, Collins M, Malmberg A, Svanberg P, Xue Y, Olsson RI, Malmberg J, Hughes G, Hossain N, Grindebacke H, Leffler A, Krutrök N, Bäck E, Ramnegård M, Lepistö M, Thunberg L, Aagaard A, McPheat J, Hansson EL, Chen R, Xiong Y, Hansson TG.
AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor... Narjes F, Llinas A, von Berg S, Jirholt J, Lever S, Pehrson R, Collins M, Malmberg A, Svanberg P, Xue Y, Olsson RI, Malmberg J, Hughes G, Hossain N, Grindebacke H, Leffler A, Krutrök N, Bäck E, Ramnegård M, Lepistö M, Thunberg L, Aagaard A, McPheat J, Hansson EL, Chen R, Xiong Y, Hansson TG.: AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J Med Chem, Volume 64 (18), 2021 J Med Chem 2021 34464130
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Narjes F, Xue Y, von Berg S, Malmberg J, Llinas A, Olsson...
Narjes F, Xue Y, von Berg S, Malmberg J, Llinas A, Olsson RI, Jirholt J, Grindebacke H, Leffler A, Hossain N, Lepistö M, Thunberg L, Leek H, Aagaard A, McPheat J, Hansson EL, Bäck E, Tångefjord S, Chen R, Xiong Y, Hongbin G, Hansson TG.
Potent and Orally Bioavailable Inverse Agonists of RORγt Resulting from Structure-Based Design. Narjes F, Xue Y, von Berg S, Malmberg J, Llinas A, Olsson RI, Jirholt J, Grindebacke H, Leffler A, Hossain N, Lepistö M, Thunberg L, Leek H, Aagaard A, McPheat J, Hansson EL, Bäck E, Tångefjord S, Chen R, Xiong Y, Hongbin G, Hansson TG.: Potent and Orally Bioavailable Inverse Agonists of RORγt Resulting from Structure-Based Design. J Med Chem, Volume 61 (17), 2018 J Med Chem 2018 30095900
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Narramore S, Stevenson CEM, Maxwell A, Lawson DM, Fishwick...
Narramore S, Stevenson CEM, Maxwell A, Lawson DM, Fishwick CWG.
New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Narramore S, Stevenson CEM, Maxwell A, Lawson DM, Fishwick CWG.: New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg Med Chem, Volume 27 (16), 2019 Bioorg Med Chem 2019 31257079
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Nasveschuk CG, Gagnon A, Garapaty-Rao S, Balasubramanian S,...
Nasveschuk CG, Gagnon A, Garapaty-Rao S, Balasubramanian S, Campbell R, Lee C, Zhao F, Bergeron L, Cummings R, Trojer P, Audia JE, Albrecht BK, Harmange JC.
Discovery and Optimization of Tetramethylpiperidinyl Benzamides as Inhibitors of EZH2. Nasveschuk CG, Gagnon A, Garapaty-Rao S, Balasubramanian S, Campbell R, Lee C, Zhao F, Bergeron L, Cummings R, Trojer P, Audia JE, Albrecht BK, Harmange JC.: Discovery and Optimization of Tetramethylpiperidinyl Benzamides as Inhibitors of EZH2. ACS Med Chem Lett, Volume 5 (4), 2014 ACS Med Chem Lett 2014 24900844
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Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd...
Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.
Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018 Medchemcomm 2018 30109004
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Naud S, Westwood IM, Faisal A, Sheldrake P, Bavetsias V,...
Naud S, Westwood IM, Faisal A, Sheldrake P, Bavetsias V, Atrash B, Cheung KM, Liu M, Hayes A, Schmitt J, Wood A, Choi V, Boxall K, Mak G, Gurden M, Valenti M, de Haven Brandon A, Henley A, Baker R, McAndrew C, Matijssen B, Burke R, Hoelder S, Eccles SA, Raynaud FI, Linardopoulos S, van Montfort RL, Blagg J.
Structure-based design of orally bioavailable 1H-pyrrolo[3,2-c]pyridine inhibitors of mitotic kinase monopolar spindle... Naud S, Westwood IM, Faisal A, Sheldrake P, Bavetsias V, Atrash B, Cheung KM, Liu M, Hayes A, Schmitt J, Wood A, Choi V, Boxall K, Mak G, Gurden M, Valenti M, de Haven Brandon A, Henley A, Baker R, McAndrew C, Matijssen B, Burke R, Hoelder S, Eccles SA, Raynaud FI, Linardopoulos S, van Montfort RL, Blagg J.: Structure-based design of orally bioavailable 1H-pyrrolo[3,2-c]pyridine inhibitors of mitotic kinase monopolar spindle 1 (MPS1). J Med Chem, Volume 56 (24), 2013 J Med Chem 2013 24256217
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Nawar N, Bukhari S, Adile AA, Suk Y, Manaswiyoungkul P,...
Nawar N, Bukhari S, Adile AA, Suk Y, Manaswiyoungkul P, Toutah K, Olaoye OO, Raouf YS, Sedighi A, Garcha HK, Hassan MM, Gwynne W, Israelian J, Radu TB, Geletu M, Abdeldayem A, Gawel JM, Cabral AD, Venugopal C, de Araujo ED, Singh SK, Gunning PT.
Discovery of HDAC6-Selective Inhibitor NN-390 with in Vitro Efficacy in Group 3 Medulloblastoma. Nawar N, Bukhari S, Adile AA, Suk Y, Manaswiyoungkul P, Toutah K, Olaoye OO, Raouf YS, Sedighi A, Garcha HK, Hassan MM, Gwynne W, Israelian J, Radu TB, Geletu M, Abdeldayem A, Gawel JM, Cabral AD, Venugopal C, de Araujo ED, Singh SK, Gunning PT.: Discovery of HDAC6-Selective Inhibitor NN-390 with in Vitro Efficacy in Group 3 Medulloblastoma. J Med Chem, Volume 65 (4), 2022 J Med Chem 2022 35119267
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Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa...
Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.
Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous... Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.: Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility. J Med Chem, Volume 61 (24), 2018 J Med Chem 2018 30395703
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Nazaré M, Matter H, Klingler O, Al-Obeidi F, Schreuder H,...
Nazaré M, Matter H, Klingler O, Al-Obeidi F, Schreuder H, Zoller G, Czech J, Lorenz M, Dudda A, Peyman A, Nestler HP, Urmann M, Bauer A, Laux V, Wehner V, Will DW.
Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand. Nazaré M, Matter H, Klingler O, Al-Obeidi F, Schreuder H, Zoller G, Czech J, Lorenz M, Dudda A, Peyman A, Nestler HP, Urmann M, Bauer A, Laux V, Wehner V, Will DW.: Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand. Bioorg Med Chem Lett, Volume 14 (11), 2004 Bioorg Med Chem Lett 2004 15125936
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Ndubaku CO, Crawford JJ, Drobnick J, Aliagas I, Campbell D,...
Ndubaku CO, Crawford JJ, Drobnick J, Aliagas I, Campbell D, Dong P, Dornan LM, Duron S, Epler J, Gazzard L, Heise CE, Hoeflich KP, Jakubiak D, La H, Lee W, Lin B, Lyssikatos JP, Maksimoska J, Marmorstein R, Murray LJ, O'Brien T, Oh A, Ramaswamy S, Wang W, Zhao X, Zhong Y, Blackwood E, Rudolph J.
Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Ndubaku CO, Crawford JJ, Drobnick J, Aliagas I, Campbell D, Dong P, Dornan LM, Duron S, Epler J, Gazzard L, Heise CE, Hoeflich KP, Jakubiak D, La H, Lee W, Lin B, Lyssikatos JP, Maksimoska J, Marmorstein R, Murray LJ, O'Brien T, Oh A, Ramaswamy S, Wang W, Zhao X, Zhong Y, Blackwood E, Rudolph J.: Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. ACS Med Chem Lett, Volume 6 (12), 2015 ACS Med Chem Lett 2015 26713112
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Ndubaku CO, Crawford TD, Chen H, Boggs JW, Drobnick J,...
Ndubaku CO, Crawford TD, Chen H, Boggs JW, Drobnick J, Harris SF, Jesudason R, McNamara E, Nonomiya J, Sambrone A, Schmidt S, Smyczek T, Vitorino P, Wang L, Wu P, Yeung S, Chen J, Chen K, Ding CZ, Wang T, Xu Z, Gould SE, Murray LJ, Ye W.
Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. Ndubaku CO, Crawford TD, Chen H, Boggs JW, Drobnick J, Harris SF, Jesudason R, McNamara E, Nonomiya J, Sambrone A, Schmidt S, Smyczek T, Vitorino P, Wang L, Wu P, Yeung S, Chen J, Chen K, Ding CZ, Wang T, Xu Z, Gould SE, Murray LJ, Ye W.: Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. ACS Med Chem Lett, Volume 6 (8), 2015 ACS Med Chem Lett 2015 26288693
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Neitz RJ, Bryant C, Chen S, Gut J, Hugo Caselli E, Ponce S,...
Neitz RJ, Bryant C, Chen S, Gut J, Hugo Caselli E, Ponce S, Chowdhury S, Xu H, Arkin MR, Ellman JA, Renslo AR.
Tetrafluorophenoxymethyl ketone cruzain inhibitors with improved pharmacokinetic properties as therapeutic leads for... Neitz RJ, Bryant C, Chen S, Gut J, Hugo Caselli E, Ponce S, Chowdhury S, Xu H, Arkin MR, Ellman JA, Renslo AR.: Tetrafluorophenoxymethyl ketone cruzain inhibitors with improved pharmacokinetic properties as therapeutic leads for Chagas' disease. Bioorg Med Chem Lett, Volume 25 (21), 2015 Bioorg Med Chem Lett 2015 26144347
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Nelson KM, Dahlin JL, Bisson J, Graham J, Pauli GF, Walters...
Nelson KM, Dahlin JL, Bisson J, Graham J, Pauli GF, Walters MA.
The Essential Medicinal Chemistry of Curcumin. Nelson KM, Dahlin JL, Bisson J, Graham J, Pauli GF, Walters MA.: The Essential Medicinal Chemistry of Curcumin. J Med Chem, Volume 60 (5), 2017 J Med Chem 2017 28074653
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Nepovimova E, Korabecny J, Dolezal R, Babkova K, Ondrejicek...
Nepovimova E, Korabecny J, Dolezal R, Babkova K, Ondrejicek A, Jun D, Sepsova V, Horova A, Hrabinova M, Soukup O, Bukum N, Jost P, Muckova L, Kassa J, Malinak D, Andrs M, Kuca K.
Tacrine-Trolox Hybrids: A Novel Class of Centrally Active, Nonhepatotoxic Multi-Target-Directed Ligands Exerting... Nepovimova E, Korabecny J, Dolezal R, Babkova K, Ondrejicek A, Jun D, Sepsova V, Horova A, Hrabinova M, Soukup O, Bukum N, Jost P, Muckova L, Kassa J, Malinak D, Andrs M, Kuca K.: Tacrine-Trolox Hybrids: A Novel Class of Centrally Active, Nonhepatotoxic Multi-Target-Directed Ligands Exerting Anticholinesterase and Antioxidant Activities with Low In Vivo Toxicity. J Med Chem, Volume 58 (22), 2015 J Med Chem 2015 26503905
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Neri A, Frosini M, Valoti M, Cacace MG, Teodori E, Sgaragli...
Neri A, Frosini M, Valoti M, Cacace MG, Teodori E, Sgaragli G.
N,N-bis(cyclohexanol)amine aryl esters inhibit P-glycoprotein as transport substrates. Neri A, Frosini M, Valoti M, Cacace MG, Teodori E, Sgaragli G.: N,N-bis(cyclohexanol)amine aryl esters inhibit P-glycoprotein as transport substrates. Biochem Pharmacol, Volume 82 (12), 2011 Biochem Pharmacol 2011 21920352
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Nesi G, Chen Q, Sestito S, Digiacomo M, Yang X, Wang S, Pi...
Nesi G, Chen Q, Sestito S, Digiacomo M, Yang X, Wang S, Pi R, Rapposelli S.
Nature-based molecules combined with rivastigmine: A symbiotic approach for the synthesis of new agents against... Nesi G, Chen Q, Sestito S, Digiacomo M, Yang X, Wang S, Pi R, Rapposelli S.: Nature-based molecules combined with rivastigmine: A symbiotic approach for the synthesis of new agents against Alzheimer's disease. Eur J Med Chem, Volume 141, 2017 Eur J Med Chem 2017 29031070
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Neubert T, Numa M, Ernst J, Clemens J, Krenitsky P, Liu M,...
Neubert T, Numa M, Ernst J, Clemens J, Krenitsky P, Liu M, Fleck B, Woody L, Zuccola H, Stamos D.
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors. Neubert T, Numa M, Ernst J, Clemens J, Krenitsky P, Liu M, Fleck B, Woody L, Zuccola H, Stamos D.: Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors. Bioorg Med Chem Lett, Volume 25 (6), 2015 Bioorg Med Chem Lett 2015 25677667
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Newhouse BJ, Hansen JD, Grina J, Welch M, Topalov G,...
Newhouse BJ, Hansen JD, Grina J, Welch M, Topalov G, Littman N, Callejo M, Martinson M, Galbraith S, Laird ER, Brandhuber BJ, Vigers G, Morales T, Woessner R, Randolph N, Lyssikatos J, Olivero A.
Non-oxime pyrazole based inhibitors of B-Raf kinase. Newhouse BJ, Hansen JD, Grina J, Welch M, Topalov G, Littman N, Callejo M, Martinson M, Galbraith S, Laird ER, Brandhuber BJ, Vigers G, Morales T, Woessner R, Randolph N, Lyssikatos J, Olivero A.: Non-oxime pyrazole based inhibitors of B-Raf kinase. Bioorg Med Chem Lett, Volume 21 (11), 2011 Bioorg Med Chem Lett 2011 21536432
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Newhouse BJ, Wenglowsky S, Grina J, Laird ER, Voegtli WC,...
Newhouse BJ, Wenglowsky S, Grina J, Laird ER, Voegtli WC, Ren L, Ahrendt K, Buckmelter A, Gloor SL, Klopfenstein N, Rudolph J, Wen Z, Li X, Feng B.
Imidazo[4,5-b]pyridine inhibitors of B-Raf kinase. Newhouse BJ, Wenglowsky S, Grina J, Laird ER, Voegtli WC, Ren L, Ahrendt K, Buckmelter A, Gloor SL, Klopfenstein N, Rudolph J, Wen Z, Li X, Feng B.: Imidazo[4,5-b]pyridine inhibitors of B-Raf kinase. Bioorg Med Chem Lett, Volume 23 (21), 2013 Bioorg Med Chem Lett 2013 24042006
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Newman AH, Kline RH, Allen AC, Izenwasser S, George C, Katz...
Newman AH, Kline RH, Allen AC, Izenwasser S, George C, Katz JL.
Novel 4'-substituted and 4',4"-disubstituted 3 alpha-(diphenylmethoxy)tropane analogs as potent and selective dopamine... Newman AH, Kline RH, Allen AC, Izenwasser S, George C, Katz JL.: Novel 4'-substituted and 4',4"-disubstituted 3 alpha-(diphenylmethoxy)tropane analogs as potent and selective dopamine uptake inhibitors. J Med Chem, Volume 38 (20), 1995 J Med Chem 1995 7562926
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Total active interactions: 1
Newton R, Waszkowycz B, Seewooruthun C, Burschowsky D,...
Newton R, Waszkowycz B, Seewooruthun C, Burschowsky D, Richards M, Hitchin S, Begum H, Watson A, French E, Hamilton N, Jones S, Lin LY, Waddell I, Echalier A, Bayliss R, Jordan AM, Ogilvie D.
Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804M Kinase. Newton R, Waszkowycz B, Seewooruthun C, Burschowsky D, Richards M, Hitchin S, Begum H, Watson A, French E, Hamilton N, Jones S, Lin LY, Waddell I, Echalier A, Bayliss R, Jordan AM, Ogilvie D.: Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804M Kinase. ACS Med Chem Lett, Volume 11 (4), 2020 ACS Med Chem Lett 2020 32292556
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Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S,...
Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.
Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study... Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018 Bioorg Med Chem 2018 29398442
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Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui...
Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui M, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.
Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors. Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui M, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors. Bioorg Med Chem, Volume 26 (12), 2018 Bioorg Med Chem 2018 29705377
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Nguyen D, Lemos C, Wortmann L, Eis K, Holton SJ, Boemer U,...
Nguyen D, Lemos C, Wortmann L, Eis K, Holton SJ, Boemer U, Moosmayer D, Eberspaecher U, Weiske J, Lechner C, Prechtl S, Suelzle D, Siegel F, Prinz F, Lesche R, Nicke B, Nowak-Reppel K, Himmel H, Mumberg D, von Nussbaum F, Nising CF, Bauser M, Haegebarth A.
Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in... Nguyen D, Lemos C, Wortmann L, Eis K, Holton SJ, Boemer U, Moosmayer D, Eberspaecher U, Weiske J, Lechner C, Prechtl S, Suelzle D, Siegel F, Prinz F, Lesche R, Nicke B, Nowak-Reppel K, Himmel H, Mumberg D, von Nussbaum F, Nising CF, Bauser M, Haegebarth A.: Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5. J Med Chem, Volume 62 (2), 2019 J Med Chem 2019 30563338
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Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ,...
Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.
Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists... Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018 J Med Chem 2018 30052039
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Nguyen HH, Tahirovic YA, Truax VM, Wilson RJ, Jecs E,...
Nguyen HH, Tahirovic YA, Truax VM, Wilson RJ, Jecs E, Miller EJ, Kim MB, Akins NS, Xu L, Jiang Y, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.
Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald... Nguyen HH, Tahirovic YA, Truax VM, Wilson RJ, Jecs E, Miller EJ, Kim MB, Akins NS, Xu L, Jiang Y, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. ACS Med Chem Lett, Volume 12 (10), 2021 ACS Med Chem Lett 2021 34676043
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Nguyen HN, Bregman H, Buchanan JL, Du B, Feric E, Huang L,...
Nguyen HN, Bregman H, Buchanan JL, Du B, Feric E, Huang L, Li X, Ligutti J, Liu D, Malmberg AB, Matson DJ, McDermott JS, Patel VF, Wilenkin B, Zou A, McDonough SI, Dimauro EF.
Discovery and optimization of aminopyrimidinones as potent and state-dependent Nav1.7 antagonists. Nguyen HN, Bregman H, Buchanan JL, Du B, Feric E, Huang L, Li X, Ligutti J, Liu D, Malmberg AB, Matson DJ, McDermott JS, Patel VF, Wilenkin B, Zou A, McDonough SI, Dimauro EF.: Discovery and optimization of aminopyrimidinones as potent and state-dependent Nav1.7 antagonists. Bioorg Med Chem Lett, Volume 22 (2), 2012 Bioorg Med Chem Lett 2012 22209205
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.
Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.
Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the... Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011 Eur J Med Chem 2011 21531054
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Niemeyer MI, Cid LP, Barros LF, Sepúlveda FV.
Niemeyer MI, Cid LP, Barros LF, Sepúlveda FV.
Modulation of the two-pore domain acid-sensitive K+ channel TASK-2 (KCNK5) by changes in cell volume. Niemeyer MI, Cid LP, Barros LF, Sepúlveda FV.: Modulation of the two-pore domain acid-sensitive K+ channel TASK-2 (KCNK5) by changes in cell volume. J Biol Chem, Volume 276 (46), 2001 J Biol Chem 2001 11560934
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Niemi M, Pasanen MK, Neuvonen PJ.
Niemi M, Pasanen MK, Neuvonen PJ.
Organic anion transporting polypeptide 1B1: a genetically polymorphic transporter of major importance for hepatic drug... Niemi M, Pasanen MK, Neuvonen PJ.: Organic anion transporting polypeptide 1B1: a genetically polymorphic transporter of major importance for hepatic drug uptake. Pharmacol Rev, Volume 63 (1), 2011 Pharmacol Rev 2011 21245207
Total substances: 26
Total passive interactions: 0
Total active interactions: 26
Nies AT, Herrmann E, Brom M, Keppler D.
Nies AT, Herrmann E, Brom M, Keppler D.
Vectorial transport of the plant alkaloid berberine by double-transfected cells expressing the human organic cation... Nies AT, Herrmann E, Brom M, Keppler D.: Vectorial transport of the plant alkaloid berberine by double-transfected cells expressing the human organic cation transporter 1 (OCT1, SLC22A1) and the efflux pump MDR1 P-glycoprotein (ABCB1). Naunyn Schmiedebergs Arch Pharmacol, Volume 376 (6), 2008 Naunyn Schmiedebergs Arch Pharmacol 2008 18157518
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Nies AT, Hofmann U, Resch C, Schaeffeler E, Rius M, Schwab...
Nies AT, Hofmann U, Resch C, Schaeffeler E, Rius M, Schwab M.
Proton pump inhibitors inhibit metformin uptake by organic cation transporters (OCTs). Nies AT, Hofmann U, Resch C, Schaeffeler E, Rius M, Schwab M.: Proton pump inhibitors inhibit metformin uptake by organic cation transporters (OCTs). PLoS One, Volume 6 (7), 2011 PLoS One 2011 21779389
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Nies AT, Koepsell H, Winter S, Burk O, Klein K, Kerb R,...
Nies AT, Koepsell H, Winter S, Burk O, Klein K, Kerb R, Zanger UM, Keppler D, Schwab M, Schaeffeler E.
Expression of organic cation transporters OCT1 (SLC22A1) and OCT3 (SLC22A3) is affected by genetic factors and... Nies AT, Koepsell H, Winter S, Burk O, Klein K, Kerb R, Zanger UM, Keppler D, Schwab M, Schaeffeler E.: Expression of organic cation transporters OCT1 (SLC22A1) and OCT3 (SLC22A3) is affected by genetic factors and cholestasis in human liver. Hepatology, Volume 50 (4), 2009 Hepatology 2009 19591196
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Niinuma K, Kato Y, Suzuki H, Tyson CA, Weizer V, Dabbs JE,...
Niinuma K, Kato Y, Suzuki H, Tyson CA, Weizer V, Dabbs JE, Froehlich R, Green CE, Sugiyama Y.
Primary active transport of organic anions on bile canalicular membrane in humans. Niinuma K, Kato Y, Suzuki H, Tyson CA, Weizer V, Dabbs JE, Froehlich R, Green CE, Sugiyama Y.: Primary active transport of organic anions on bile canalicular membrane in humans. Am J Physiol, Volume 276 (5), 1999 Am J Physiol 1999 10330006
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Niko Y, Didier P, Mely Y, Konishi G, Klymchenko AS.
Niko Y, Didier P, Mely Y, Konishi G, Klymchenko AS.
Bright and photostable push-pull pyrene dye visualizes lipid order variation between plasma and intracellular membranes. Niko Y, Didier P, Mely Y, Konishi G, Klymchenko AS.: Bright and photostable push-pull pyrene dye visualizes lipid order variation between plasma and intracellular membranes. Sci Rep, Volume 6, 18870, 2016 Sci Rep 2016 26750324
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Nilsson M, Belfrage AK, Lindström S, Wähling H, Lindquist...
Nilsson M, Belfrage AK, Lindström S, Wähling H, Lindquist C, Ayesa S, Kahnberg P, Pelcman M, Benkestock K, Agback T, Vrang L, Terelius Y, Wikström K, Hamelink E, Rydergård C, Edlund M, Eneroth A, Raboisson P, Lin TI, de Kock H, Wigerinck P, Simmen K, Samuelsson B, Rosenquist S.
Synthesis and SAR of potent inhibitors of the Hepatitis C virus NS3/4A protease: exploration of P2 quinazoline... Nilsson M, Belfrage AK, Lindström S, Wähling H, Lindquist C, Ayesa S, Kahnberg P, Pelcman M, Benkestock K, Agback T, Vrang L, Terelius Y, Wikström K, Hamelink E, Rydergård C, Edlund M, Eneroth A, Raboisson P, Lin TI, de Kock H, Wigerinck P, Simmen K, Samuelsson B, Rosenquist S.: Synthesis and SAR of potent inhibitors of the Hepatitis C virus NS3/4A protease: exploration of P2 quinazoline substituents. Bioorg Med Chem Lett, Volume 20 (14), 2010 Bioorg Med Chem Lett 2010 20541405
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Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z,...
Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.
Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as... Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013 Bioorg Med Chem 2013 23870700
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Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C,...
Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.
Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel... Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014 J Med Chem 2014 24697335
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Nishida H, Arikawa Y, Hirase K, Imaeda T, Inatomi N, Hori...
Nishida H, Arikawa Y, Hirase K, Imaeda T, Inatomi N, Hori Y, Matsukawa J, Fujioka Y, Hamada T, Iida M, Nishitani M, Imanishi A, Fukui H, Itoh F, Kajino M.
Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action. Nishida H, Arikawa Y, Hirase K, Imaeda T, Inatomi N, Hori Y, Matsukawa J, Fujioka Y, Hamada T, Iida M, Nishitani M, Imanishi A, Fukui H, Itoh F, Kajino M.: Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action. Bioorg Med Chem, Volume 25 (13), 2017 Bioorg Med Chem 2017 28442261
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Nishiguchi GA, Rico A, Tanner H, Aversa RJ, Taft BR,...
Nishiguchi GA, Rico A, Tanner H, Aversa RJ, Taft BR, Subramanian S, Setti L, Burger MT, Wan L, Tamez V, Smith A, Lou Y, Barsanti PA, Appleton BA, Mamo M, Tandeske L, Dix I, Tellew JE, Huang S, Mathews Griner LA, Cooke VG, Van Abbema A, Merritt H, Ma S, Gampa K, Feng F, Yuan J, Wang Y, Haling JR, Vaziri S, Hekmat-Nejad M, Jansen JM, Polyakov V, Zang R, Sethuraman V, Amiri P, Singh M, Lees E, Shao W, Stuart DD, Dillon MP, Ramurthy S.
Design and Discovery of... Nishiguchi GA, Rico A, Tanner H, Aversa RJ, Taft BR, Subramanian S, Setti L, Burger MT, Wan L, Tamez V, Smith A, Lou Y, Barsanti PA, Appleton BA, Mamo M, Tandeske L, Dix I, Tellew JE, Huang S, Mathews Griner LA, Cooke VG, Van Abbema A, Merritt H, Ma S, Gampa K, Feng F, Yuan J, Wang Y, Haling JR, Vaziri S, Hekmat-Nejad M, Jansen JM, Polyakov V, Zang R, Sethuraman V, Amiri P, Singh M, Lees E, Shao W, Stuart DD, Dillon MP, Ramurthy S.: Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J Med Chem, Volume 60 (12), 2017 J Med Chem 2017 28557458
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Nishimura T, Kubo Y, Kato Y, Sai Y, Ogihara T, Tsuji A.
Nishimura T, Kubo Y, Kato Y, Sai Y, Ogihara T, Tsuji A.
Characterization of the uptake mechanism for a novel loop diuretic, M17055, in Caco-2 cells: involvement of organic... Nishimura T, Kubo Y, Kato Y, Sai Y, Ogihara T, Tsuji A.: Characterization of the uptake mechanism for a novel loop diuretic, M17055, in Caco-2 cells: involvement of organic anion transporting polypeptide (OATP)-B. Pharm Res, Volume 24 (1), 2007 Pharm Res 2007 17103337
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Nishimuta H, Nakagawa T, Nomura N, Yabuki M.
Nishimuta H, Nakagawa T, Nomura N, Yabuki M.
Significance of reductive metabolism in human intestine and quantitative prediction of intestinal first-pass metabolism... Nishimuta H, Nakagawa T, Nomura N, Yabuki M.: Significance of reductive metabolism in human intestine and quantitative prediction of intestinal first-pass metabolism by cytosolic reductive enzymes. Drug Metab Dispos, Volume 41 (5), 2013 Drug Metab Dispos 2013 23444387
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Nitsche C, Schreier VN, Behnam MA, Kumar A, Bartenschlager...
Nitsche C, Schreier VN, Behnam MA, Kumar A, Bartenschlager R, Klein CD.
Thiazolidinone-peptide hybrids as dengue virus protease inhibitors with antiviral activity in cell culture. Nitsche C, Schreier VN, Behnam MA, Kumar A, Bartenschlager R, Klein CD.: Thiazolidinone-peptide hybrids as dengue virus protease inhibitors with antiviral activity in cell culture. J Med Chem, Volume 56 (21), 2013 J Med Chem 2013 24083834
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Niu C, Boschelli DH, Tumey LN, Bhagirath N, Subrath J, Shim...
Niu C, Boschelli DH, Tumey LN, Bhagirath N, Subrath J, Shim J, Wang Y, Wu B, Eid C, Lee J, Yang X, Brennan A, Chaudhary D.
First generation 5-vinyl-3-pyridinecarbonitrile PKCtheta inhibitors. Niu C, Boschelli DH, Tumey LN, Bhagirath N, Subrath J, Shim J, Wang Y, Wu B, Eid C, Lee J, Yang X, Brennan A, Chaudhary D.: First generation 5-vinyl-3-pyridinecarbonitrile PKCtheta inhibitors. Bioorg Med Chem Lett, Volume 19 (20), 2009 Bioorg Med Chem Lett 2009 19762237
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Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E,...
Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.
Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the... Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009 Bioorg Med Chem Lett 2009 19616948
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Noé J, Portmann R, Brun ME, Funk C.
Noé J, Portmann R, Brun ME, Funk C.
Substrate-dependent drug-drug interactions between gemfibrozil, fluvastatin and other organic anion-transporting... Noé J, Portmann R, Brun ME, Funk C.: Substrate-dependent drug-drug interactions between gemfibrozil, fluvastatin and other organic anion-transporting peptide (OATP) substrates on OATP1B1, OATP2B1, and OATP1B3. Drug Metab Dispos, Volume 35 (8), 2007 Drug Metab Dispos 2007 17470528
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Noji S, Hara Y, Miura T, Yamanaka H, Maeda K, Hori A,...
Noji S, Hara Y, Miura T, Yamanaka H, Maeda K, Hori A, Yamamoto H, Obika S, Inoue M, Hase Y, Orita T, Doi S, Adachi T, Tanimoto A, Oki C, Kimoto Y, Ogawa Y, Negoro T, Hashimoto H, Shiozaki M.
Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a... Noji S, Hara Y, Miura T, Yamanaka H, Maeda K, Hori A, Yamamoto H, Obika S, Inoue M, Hase Y, Orita T, Doi S, Adachi T, Tanimoto A, Oki C, Kimoto Y, Ogawa Y, Negoro T, Hashimoto H, Shiozaki M.: Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders. J Med Chem, Volume 63 (13), 2020 J Med Chem 2020 32511913
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Noncovich A, Priest C, Ung J, Patron AP, Servant G, Brust...
Noncovich A, Priest C, Ung J, Patron AP, Servant G, Brust P, Servant N, Faber N, Liu H, Gonsalves NS, Ditschun TL.
Discovery and development of a novel class of phenoxyacetyl amides as highly potent TRPM8 agonists for use as cooling... Noncovich A, Priest C, Ung J, Patron AP, Servant G, Brust P, Servant N, Faber N, Liu H, Gonsalves NS, Ditschun TL.: Discovery and development of a novel class of phenoxyacetyl amides as highly potent TRPM8 agonists for use as cooling agents. Bioorg Med Chem Lett, Volume 27 (16), 2017 Bioorg Med Chem Lett 2017 28662813
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Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O,...
Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.
The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009 Bioorg Med Chem Lett 2009 19833514
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Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S,...
Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.
From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009 Bioorg Med Chem Lett 2009 19576767
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North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM,...
North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.
Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro... North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013 Bioorg Med Chem 2013 23498915
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Nöteberg D, Hamelink E, Hultén J, Wahlgren M, Vrang L,...
Nöteberg D, Hamelink E, Hultén J, Wahlgren M, Vrang L, Samuelsson B, Hallberg A.
Design and synthesis of plasmepsin I and plasmepsin II inhibitors with activity in Plasmodium falciparum-infected... Nöteberg D, Hamelink E, Hultén J, Wahlgren M, Vrang L, Samuelsson B, Hallberg A.: Design and synthesis of plasmepsin I and plasmepsin II inhibitors with activity in Plasmodium falciparum-infected cultured human erythrocytes. J Med Chem, Volume 46 (5), 2003 J Med Chem 2003 12593654
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Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R,...
Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.
Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.: Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 20 (2), 2010 Bioorg Med Chem Lett 2010 19959359
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Nozawa T, Imai K, Nezu J, Tsuji A, Tamai I.
Nozawa T, Imai K, Nezu J, Tsuji A, Tamai I.
Functional characterization of pH-sensitive organic anion transporting polypeptide OATP-B in human. Nozawa T, Imai K, Nezu J, Tsuji A, Tamai I.: Functional characterization of pH-sensitive organic anion transporting polypeptide OATP-B in human. J Pharmacol Exp Ther, Volume 308 (2), 2004 J Pharmacol Exp Ther 2004 14610227
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Nuss HB, Tomaselli GF, Marbán E.
Nuss HB, Tomaselli GF, Marbán E.
Cardiac sodium channels (hH1) are intrinsically more sensitive to block by lidocaine than are skeletal muscle (mu 1)... Nuss HB, Tomaselli GF, Marbán E.: Cardiac sodium channels (hH1) are intrinsically more sensitive to block by lidocaine than are skeletal muscle (mu 1) channels. J Gen Physiol, Volume 106 (6), 1995 J Gen Physiol 1995 8786356
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
O'Connell CE, Salvato KA, Meng Z, Littlefield BA, Schwartz...
O'Connell CE, Salvato KA, Meng Z, Littlefield BA, Schwartz CE.
Synthesis and evaluation of hapalosin and analogs as MDR-reversing agents. O'Connell CE, Salvato KA, Meng Z, Littlefield BA, Schwartz CE.: Synthesis and evaluation of hapalosin and analogs as MDR-reversing agents. Bioorg Med Chem Lett, Volume 9 (11), 1999 Bioorg Med Chem Lett 1999 10386932
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
O'Donnell CJ, Rogers BN, Bronk BS, Bryce DK, Coe JW, Cook...
O'Donnell CJ, Rogers BN, Bronk BS, Bryce DK, Coe JW, Cook KK, Duplantier AJ, Evrard E, Hajós M, Hoffmann WE, Hurst RS, Maklad N, Mather RJ, McLean S, Nedza FM, O'Neill BT, Peng L, Qian W, Rottas MM, Sands SB, Schmidt AW, Shrikhande AV, Spracklin DK, Wong DF, Zhang A, Zhang L.
Discovery of 4-(5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane (CP-810,123), a novel alpha 7... O'Donnell CJ, Rogers BN, Bronk BS, Bryce DK, Coe JW, Cook KK, Duplantier AJ, Evrard E, Hajós M, Hoffmann WE, Hurst RS, Maklad N, Mather RJ, McLean S, Nedza FM, O'Neill BT, Peng L, Qian W, Rottas MM, Sands SB, Schmidt AW, Shrikhande AV, Spracklin DK, Wong DF, Zhang A, Zhang L.: Discovery of 4-(5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane (CP-810,123), a novel alpha 7 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders in schizophrenia: synthesis, SAR development, and in vivo efficacy in cognition models. J Med Chem, Volume 53 (3), 2010 J Med Chem 2010 20043678
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O'Dowd CR, Helm MD, Rountree JSS, Flasz JT, Arkoudis E,...
O'Dowd CR, Helm MD, Rountree JSS, Flasz JT, Arkoudis E, Miel H, Hewitt PR, Jordan L, Barker O, Hughes C, Rozycka E, Cassidy E, McClelland K, Odrzywol E, Page N, Feutren-Burton S, Dvorkin S, Gavory G, Harrison T.
Identification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors. O'Dowd CR, Helm MD, Rountree JSS, Flasz JT, Arkoudis E, Miel H, Hewitt PR, Jordan L, Barker O, Hughes C, Rozycka E, Cassidy E, McClelland K, Odrzywol E, Page N, Feutren-Burton S, Dvorkin S, Gavory G, Harrison T.: Identification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors. ACS Med Chem Lett, Volume 9 (3), 2018 ACS Med Chem Lett 2018 29541367
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O'Dowd H, Shannon DE, Chandupatla KR, Dixit V, Engtrakul...
O'Dowd H, Shannon DE, Chandupatla KR, Dixit V, Engtrakul JJ, Ye Z, Jones SM, O'Brien CF, Nicolau DP, Tessier PR, Crandon JL, Song B, Macikenas D, Hanzelka BL, Le Tiran A, Bennani YL, Charifson PS, Grillot AL.
Discovery and Characterization of a Water-Soluble Prodrug of a Dual Inhibitor of Bacterial DNA Gyrase and Topoisomerase... O'Dowd H, Shannon DE, Chandupatla KR, Dixit V, Engtrakul JJ, Ye Z, Jones SM, O'Brien CF, Nicolau DP, Tessier PR, Crandon JL, Song B, Macikenas D, Hanzelka BL, Le Tiran A, Bennani YL, Charifson PS, Grillot AL.: Discovery and Characterization of a Water-Soluble Prodrug of a Dual Inhibitor of Bacterial DNA Gyrase and Topoisomerase IV. ACS Med Chem Lett, Volume 6 (7), 2015 ACS Med Chem Lett 2015 26191374
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O'Mahony G, Petersen J, Ek M, Rae R, Johansson C, Jianming...
O'Mahony G, Petersen J, Ek M, Rae R, Johansson C, Jianming L, Prokoph N, Bergström F, Bamberg K, Giordanetto F, Zarrouki B, Karlsson D, Hogner A.
Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPARγ Phosphorylation. O'Mahony G, Petersen J, Ek M, Rae R, Johansson C, Jianming L, Prokoph N, Bergström F, Bamberg K, Giordanetto F, Zarrouki B, Karlsson D, Hogner A.: Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPARγ Phosphorylation. ACS Med Chem Lett, Volume 13 (4), 2022 ACS Med Chem Lett 2022 35450368
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Tanja Obradovic, Glenn G Dobson, Tomotaka Shingaki, Thomas...
Tanja Obradovic, Glenn G Dobson, Tomotaka Shingaki, Thomas Kungu, Ismael J Hidalgo
Assessment of the first and second generation antihistamines brain penetration and role of P-glycoprotein Obradovic T, Dobson GG, Shingaki T, Kungu T, Hidalgo IJ. Assessment of the first and second generation antihistamines brain penetration and role of P-glycoprotein. Pharm Res. 2007 Feb;24(2):318-27. Pharmaceutical Research 2007 17180728
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Obreque-Balboa JE, Sun Q, Bernhardt G, König B, Buschauer...
Obreque-Balboa JE, Sun Q, Bernhardt G, König B, Buschauer A.
Flavonoid derivatives as selective ABCC1 modulators: Synthesis and functional characterization. Obreque-Balboa JE, Sun Q, Bernhardt G, König B, Buschauer A.: Flavonoid derivatives as selective ABCC1 modulators: Synthesis and functional characterization. Eur J Med Chem, Volume 109, 2016 Eur J Med Chem 2016 26774038
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Odell LR, Abdel-Hamid MK, Hill TA, Chau N, Young KA, Deane...
Odell LR, Abdel-Hamid MK, Hill TA, Chau N, Young KA, Deane FM, Sakoff JA, Andersson S, Daniel JA, Robinson PJ, McCluskey A.
Pyrimidine-Based Inhibitors of Dynamin I GTPase Activity: Competitive Inhibition at the Pleckstrin Homology Domain. Odell LR, Abdel-Hamid MK, Hill TA, Chau N, Young KA, Deane FM, Sakoff JA, Andersson S, Daniel JA, Robinson PJ, McCluskey A.: Pyrimidine-Based Inhibitors of Dynamin I GTPase Activity: Competitive Inhibition at the Pleckstrin Homology Domain. J Med Chem, Volume 60 (1), 2017 J Med Chem 2017 27997171
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Oehlrich D, Prokopcova H, Gijsen HJ.
Oehlrich D, Prokopcova H, Gijsen HJ.
The evolution of amidine-based brain penetrant BACE1 inhibitors. Oehlrich D, Prokopcova H, Gijsen HJ.: The evolution of amidine-based brain penetrant BACE1 inhibitors. Bioorg Med Chem Lett, Volume 24 (9), 2014 Bioorg Med Chem Lett 2014 24704031
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Ogoshi Y, Matsui T, Mitani I, Yokota M, Terashita M, Motoda...
Ogoshi Y, Matsui T, Mitani I, Yokota M, Terashita M, Motoda D, Ueyama K, Hotta T, Ito T, Hase Y, Fukui K, Deai K, Yoshiuchi H, Ito S, Abe H.
Discovery of JTZ-951: A HIF Prolyl Hydroxylase Inhibitor for the Treatment of Renal Anemia. Ogoshi Y, Matsui T, Mitani I, Yokota M, Terashita M, Motoda D, Ueyama K, Hotta T, Ito T, Hase Y, Fukui K, Deai K, Yoshiuchi H, Ito S, Abe H.: Discovery of JTZ-951: A HIF Prolyl Hydroxylase Inhibitor for the Treatment of Renal Anemia. ACS Med Chem Lett, Volume 8 (12), 2017 ACS Med Chem Lett 2017 29259755
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Ohgane K, Karaki F, Noguchi-Yachide T, Dodo K, Hashimoto Y.
Ohgane K, Karaki F, Noguchi-Yachide T, Dodo K, Hashimoto Y.
Structure-activity relationships of oxysterol-derived pharmacological chaperones for Niemann-Pick type C1 protein. Ohgane K, Karaki F, Noguchi-Yachide T, Dodo K, Hashimoto Y.: Structure-activity relationships of oxysterol-derived pharmacological chaperones for Niemann-Pick type C1 protein. Bioorg Med Chem Lett, Volume 24 (15), 2014 Bioorg Med Chem Lett 2014 24928400
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Per Öhrngren, Xiongyu Wu, Magnus Persson, Jenny K....
Per Öhrngren, Xiongyu Wu, Magnus Persson, Jenny K. Ekegren, Hans Wallberg, Lotta Vrang, Åsa Rosenquist, Bertil Samuelsson, Torsten Ungeb, Mats Larhed
HIV-1 protease inhibitors with a tertiary alcohol containing transition-state mimic and various P2 and P1′... Öhrngren P: Med. Chem. Commun., 2011,2, 701-709, 10.1039/C1MD00077B MedChemComm 2011 10.1039/C1MD000...
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Ohtake Y, Sato T, Kobayashi T, Nishimoto M, Taka N, Takano...
Ohtake Y, Sato T, Kobayashi T, Nishimoto M, Taka N, Takano K, Yamamoto K, Ohmori M, Yamaguchi M, Takami K, Yeu SY, Ahn KH, Matsuoka H, Morikawa K, Suzuki M, Hagita H, Ozawa K, Yamaguchi K, Kato M, Ikeda S.
Discovery of tofogliflozin, a novel C-arylglucoside with an O-spiroketal ring system, as a highly selective sodium... Ohtake Y, Sato T, Kobayashi T, Nishimoto M, Taka N, Takano K, Yamamoto K, Ohmori M, Yamaguchi M, Takami K, Yeu SY, Ahn KH, Matsuoka H, Morikawa K, Suzuki M, Hagita H, Ozawa K, Yamaguchi K, Kato M, Ikeda S.: Discovery of tofogliflozin, a novel C-arylglucoside with an O-spiroketal ring system, as a highly selective sodium glucose cotransporter 2 (SGLT2) inhibitor for the treatment of type 2 diabetes. J Med Chem, Volume 55 (17), 2012 J Med Chem 2012 22889351
Total substances: 2
Total passive interactions: 0
Total active interactions: 4
Ohtake Y, Sato T, Matsuoka H, Kobayashi T, Nishimoto M,...
Ohtake Y, Sato T, Matsuoka H, Kobayashi T, Nishimoto M, Taka N, Takano K, Yamamoto K, Ohmori M, Higuchi T, Murakata M, Morikawa K, Shimma N, Suzuki M, Hagita H, Ozawa K, Yamaguchi K, Kato M, Ikeda S.
C-Aryl 5a-carba-β-d-glucopyranosides as novel sodium glucose cotransporter 2 (SGLT2) inhibitors for the treatment of... Ohtake Y, Sato T, Matsuoka H, Kobayashi T, Nishimoto M, Taka N, Takano K, Yamamoto K, Ohmori M, Higuchi T, Murakata M, Morikawa K, Shimma N, Suzuki M, Hagita H, Ozawa K, Yamaguchi K, Kato M, Ikeda S.: C-Aryl 5a-carba-β-d-glucopyranosides as novel sodium glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes. Bioorg Med Chem, Volume 20 (13), 2012 Bioorg Med Chem 2012 22652255
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Oka Y, Yabuuchi T, Fujii Y, Ohtake H, Wakahara S, Matsumoto...
Oka Y, Yabuuchi T, Fujii Y, Ohtake H, Wakahara S, Matsumoto K, Endo M, Tamura Y, Sekiguchi Y.
Discovery and optimization of a series of 2-aminothiazole-oxazoles as potent phosphoinositide 3-kinase γ inhibitors. Oka Y, Yabuuchi T, Fujii Y, Ohtake H, Wakahara S, Matsumoto K, Endo M, Tamura Y, Sekiguchi Y.: Discovery and optimization of a series of 2-aminothiazole-oxazoles as potent phosphoinositide 3-kinase γ inhibitors. Bioorg Med Chem Lett, Volume 22 (24), 2012 Bioorg Med Chem Lett 2012 23122859
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Okamura A, Emoto A, Koyabu N, Ohtani H, Sawada Y.
Okamura A, Emoto A, Koyabu N, Ohtani H, Sawada Y.
Transport and uptake of nateglinide in Caco-2 cells and its inhibitory effect on human monocarboxylate transporter MCT1. Okamura A, Emoto A, Koyabu N, Ohtani H, Sawada Y.: Transport and uptake of nateglinide in Caco-2 cells and its inhibitory effect on human monocarboxylate transporter MCT1. Br J Pharmacol, Volume 137 (3), 2002 Br J Pharmacol 2002 12237260
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Okunola-Bakare OM, Cao J, Kopajtic T, Katz JL, Loland CJ,...
Okunola-Bakare OM, Cao J, Kopajtic T, Katz JL, Loland CJ, Shi L, Newman AH.
Elucidation of structural elements for selectivity across monoamine transporters: novel... Okunola-Bakare OM, Cao J, Kopajtic T, Katz JL, Loland CJ, Shi L, Newman AH.: Elucidation of structural elements for selectivity across monoamine transporters: novel 2-[(diphenylmethyl)sulfinyl]acetamide (modafinil) analogues. J Med Chem, Volume 57 (3), 2014 J Med Chem 2014 24494745
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Olaoye OO, Watson PR, Nawar N, Geletu M, Sedighi A, Bukhari...
Olaoye OO, Watson PR, Nawar N, Geletu M, Sedighi A, Bukhari S, Raouf YS, Manaswiyoungkul P, Erdogan F, Abdeldayem A, Cabral AD, Hassan MM, Toutah K, Shouksmith AE, Gawel JM, Israelian J, Radu TB, Kachhiyapatel N, de Araujo ED, Christianson DW, Gunning PT.
Unique Molecular Interaction with the Histone Deacetylase 6 Catalytic Tunnel: Crystallographic and Biological... Olaoye OO, Watson PR, Nawar N, Geletu M, Sedighi A, Bukhari S, Raouf YS, Manaswiyoungkul P, Erdogan F, Abdeldayem A, Cabral AD, Hassan MM, Toutah K, Shouksmith AE, Gawel JM, Israelian J, Radu TB, Kachhiyapatel N, de Araujo ED, Christianson DW, Gunning PT.: Unique Molecular Interaction with the Histone Deacetylase 6 Catalytic Tunnel: Crystallographic and Biological Characterization of a Model Chemotype. J Med Chem, Volume 64 (5), 2021 J Med Chem 2021 33576627
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Olbrich K, Rawicz W, Needham D, Evans E.
Olbrich K, Rawicz W, Needham D, Evans E.
Water permeability and mechanical strength of polyunsaturated lipid bilayers. Olbrich K, Rawicz W, Needham D, Evans E.: Water permeability and mechanical strength of polyunsaturated lipid bilayers. Biophys J, Volume 79 (1), 321-327, 2000 Biophys J 2000 10866958
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Oliveira JS, Redaelli E, Zaharenko AJ, Cassulini RR, Konno...
Oliveira JS, Redaelli E, Zaharenko AJ, Cassulini RR, Konno K, Pimenta DC, Freitas JC, Clare JJ, Wanke E.
Binding specificity of sea anemone toxins to Nav 1.1-1.6 sodium channels: unexpected contributions from differences in... Oliveira JS, Redaelli E, Zaharenko AJ, Cassulini RR, Konno K, Pimenta DC, Freitas JC, Clare JJ, Wanke E.: Binding specificity of sea anemone toxins to Nav 1.1-1.6 sodium channels: unexpected contributions from differences in the IV/S3-S4 outer loop. J Biol Chem, Volume 279 (32), 2004 J Biol Chem 2004 15169781
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Olsen T. W., Edelhauser H. F., Lim J. I., Geroski D. H.
Olsen T. W., Edelhauser H. F., Lim J. I., Geroski D. H.
Human scleral permeability. Effects of age, cryotherapy, transscleral diode laser, and surgical thinning Olsen T. W., Edelhauser H. F., Lim J. I., Geroski D. H.: Human scleral permeability. Effects of age, cryotherapy, transscleral diode laser, and surgical thinning. Invest. Ophthalmol. Vis. Sci., 36, 1893–1903,1995. Invest. Ophthalmol. Vis. Sci. 1995 7543465
Total substances: 3
Total passive interactions: 3
Total active interactions: 0
Olsson RI, Jacobson I, Boström J, Fex T, Björe A, Olsson...
Olsson RI, Jacobson I, Boström J, Fex T, Björe A, Olsson C, Sundell J, Gran U, Öhrn A, Nordin A, Gyll J, Thorstensson M, Hayen A, Aplander K, Hidestål O, Jiang F, Linhardt G, Forsström E, Collins T, Sundqvist M, Lindhardt E, Åstrand A, Löfberg B.
Synthesis and evaluation of diphenylphosphinic amides and diphenylphosphine oxides as inhibitors of Kv1.5. Olsson RI, Jacobson I, Boström J, Fex T, Björe A, Olsson C, Sundell J, Gran U, Öhrn A, Nordin A, Gyll J, Thorstensson M, Hayen A, Aplander K, Hidestål O, Jiang F, Linhardt G, Forsström E, Collins T, Sundqvist M, Lindhardt E, Åstrand A, Löfberg B.: Synthesis and evaluation of diphenylphosphinic amides and diphenylphosphine oxides as inhibitors of Kv1.5. Bioorg Med Chem Lett, Volume 23 (3), 2013 Bioorg Med Chem Lett 2013 23260347
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Oost T, Heckel A, Kley JT, Lehmann T, Müller S, Roth GJ,...
Oost T, Heckel A, Kley JT, Lehmann T, Müller S, Roth GJ, Rudolf K, Arndt K, Budzinski R, Lenter M, Lotz RR, Maier GM, Markert M, Thomas L, Stenkamp D.
Design, synthesis and evaluation of MCH receptor 1 antagonists--Part III: Discovery of pre-clinical development... Oost T, Heckel A, Kley JT, Lehmann T, Müller S, Roth GJ, Rudolf K, Arndt K, Budzinski R, Lenter M, Lotz RR, Maier GM, Markert M, Thomas L, Stenkamp D.: Design, synthesis and evaluation of MCH receptor 1 antagonists--Part III: Discovery of pre-clinical development candidate BI 186908. Bioorg Med Chem Lett, Volume 25 (16), 2015 Bioorg Med Chem Lett 2015 26105194
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Orbe J, Sánchez-Arias JA, Rabal O, Rodríguez JA, Salicio...
Orbe J, Sánchez-Arias JA, Rabal O, Rodríguez JA, Salicio A, Ugarte A, Belzunce M, Xu M, Wu W, Tan H, Ma H, Páramo JA, Oyarzabal J.
Design, synthesis, and biological evaluation of novel matrix metalloproteinase inhibitors as potent antihemorrhagic... Orbe J, Sánchez-Arias JA, Rabal O, Rodríguez JA, Salicio A, Ugarte A, Belzunce M, Xu M, Wu W, Tan H, Ma H, Páramo JA, Oyarzabal J.: Design, synthesis, and biological evaluation of novel matrix metalloproteinase inhibitors as potent antihemorrhagic agents: from hit identification to an optimized lead. J Med Chem, Volume 58 (5), 2015 J Med Chem 2015 25686153
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Oslob JD, Johnson RJ, Cai H, Feng SQ, Hu L, Kosaka Y, Lai...
Oslob JD, Johnson RJ, Cai H, Feng SQ, Hu L, Kosaka Y, Lai J, Sivaraja M, Tep S, Yang H, Zaharia CA, Evanchik MJ, McDowell RS.
Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation. Oslob JD, Johnson RJ, Cai H, Feng SQ, Hu L, Kosaka Y, Lai J, Sivaraja M, Tep S, Yang H, Zaharia CA, Evanchik MJ, McDowell RS.: Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation. ACS Med Chem Lett, Volume 4 (1), 2013 ACS Med Chem Lett 2013 24900571
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Osman KT, Ye J, Shi Z, Toker C, Lovato D, Jumani RS,...
Osman KT, Ye J, Shi Z, Toker C, Lovato D, Jumani RS, Zuercher W, Huston CD, Edwards AM, Lautens M, Santhakumar V, Hui R.
Discovery and structure activity relationship of the first potent cryptosporidium FIKK kinase inhibitor. Osman KT, Ye J, Shi Z, Toker C, Lovato D, Jumani RS, Zuercher W, Huston CD, Edwards AM, Lautens M, Santhakumar V, Hui R.: Discovery and structure activity relationship of the first potent cryptosporidium FIKK kinase inhibitor. Bioorg Med Chem, Volume 25 (5), 2017 Bioorg Med Chem 2017 28162900
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Ostrov DA, Magis AT, Wronski TJ, Chan EK, Toro EJ,...
Ostrov DA, Magis AT, Wronski TJ, Chan EK, Toro EJ, Donatelli RE, Sajek K, Haroun IN, Nagib MI, Piedrahita A, Harris A, Holliday LS.
Identification of enoxacin as an inhibitor of osteoclast formation and bone resorption by structure-based virtual... Ostrov DA, Magis AT, Wronski TJ, Chan EK, Toro EJ, Donatelli RE, Sajek K, Haroun IN, Nagib MI, Piedrahita A, Harris A, Holliday LS.: Identification of enoxacin as an inhibitor of osteoclast formation and bone resorption by structure-based virtual screening. J Med Chem, Volume 52 (16), 2009 J Med Chem 2009 19630402
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Oswald S, Nassif A, Modess C, Keiser M, Hanke U, Engel A,...
Oswald S, Nassif A, Modess C, Keiser M, Hanke U, Engel A, Lütjohann D, Weitschies W, Siegmund W.
Pharmacokinetic and pharmacodynamic interactions between the immunosuppressant sirolimus and the lipid-lowering drug... Oswald S, Nassif A, Modess C, Keiser M, Hanke U, Engel A, Lütjohann D, Weitschies W, Siegmund W.: Pharmacokinetic and pharmacodynamic interactions between the immunosuppressant sirolimus and the lipid-lowering drug ezetimibe in healthy volunteers. Clin Pharmacol Ther, Volume 87 (6), 2010 Clin Pharmacol Ther 2010 20220747
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Oswald S, Nassif A, Modess C, Keiser M, Ulrich A, Runge D,...
Oswald S, Nassif A, Modess C, Keiser M, Ulrich A, Runge D, Hanke U, Lütjohann D, Engel A, Weitschies W, Siegmund W.
Drug interactions between the immunosuppressant tacrolimus and the cholesterol absorption inhibitor ezetimibe in... Oswald S, Nassif A, Modess C, Keiser M, Ulrich A, Runge D, Hanke U, Lütjohann D, Engel A, Weitschies W, Siegmund W.: Drug interactions between the immunosuppressant tacrolimus and the cholesterol absorption inhibitor ezetimibe in healthy volunteers. Clin Pharmacol Ther, Volume 89 (4), 2011 Clin Pharmacol Ther 2011 21368751
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Otsuka M, Matsumoto T, Morimoto R, Arioka S, Omote H,...
Otsuka M, Matsumoto T, Morimoto R, Arioka S, Omote H, Moriyama Y.
A human transporter protein that mediates the final excretion step for toxic organic cations. Otsuka M, Matsumoto T, Morimoto R, Arioka S, Omote H, Moriyama Y.: A human transporter protein that mediates the final excretion step for toxic organic cations. Proc Natl Acad Sci U S A, Volume 102 (50), 2005 Proc Natl Acad Sci U S A 2005 16330770
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Ott GR, Asakawa N, Liu RQ, Covington MB, Qian M, Vaddi K,...
Ott GR, Asakawa N, Liu RQ, Covington MB, Qian M, Vaddi K, Newton RC, Trzaskos JM, Christ DD, Galya L, Scholz T, Marshall W, Duan JJ.
Alpha,Beta-cyclic-beta-benzamido hydroxamic acids: Novel oxaspiro[4.4]nonane templates for the discovery of potent,... Ott GR, Asakawa N, Liu RQ, Covington MB, Qian M, Vaddi K, Newton RC, Trzaskos JM, Christ DD, Galya L, Scholz T, Marshall W, Duan JJ.: Alpha,Beta-cyclic-beta-benzamido hydroxamic acids: Novel oxaspiro[4.4]nonane templates for the discovery of potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (4), 2008 Bioorg Med Chem Lett 2008 18234496
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Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB,...
Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.
Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel... Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008 Bioorg Med Chem Lett 2008 18242982
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Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K,...
Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.
Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of... Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008 Bioorg Med Chem Lett 2008 18061445
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Ott GR, Wells GJ, Thieu TV, Quail MR, Lisko JG, Mesaros EF,...
Ott GR, Wells GJ, Thieu TV, Quail MR, Lisko JG, Mesaros EF, Gingrich DE, Ghose AK, Wan W, Lu L, Cheng M, Albom MS, Angeles TS, Huang Z, Aimone LD, Ator MA, Ruggeri BA, Dorsey BD.
2,7-disubstituted-pyrrolo[2,1-f][1,2,4]triazines: new variant of an old template and application to the discovery of... Ott GR, Wells GJ, Thieu TV, Quail MR, Lisko JG, Mesaros EF, Gingrich DE, Ghose AK, Wan W, Lu L, Cheng M, Albom MS, Angeles TS, Huang Z, Aimone LD, Ator MA, Ruggeri BA, Dorsey BD.: 2,7-disubstituted-pyrrolo[2,1-f][1,2,4]triazines: new variant of an old template and application to the discovery of anaplastic lymphoma kinase (ALK) inhibitors with in vivo antitumor activity. J Med Chem, Volume 54 (18), 2011 J Med Chem 2011 21859094
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Ottaviani G, Martel S, Carrupt PA.
Ottaviani G, Martel S, Carrupt PA.
In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007 J Med Chem 2007 17300161
Total substances: 61
Total passive interactions: 61
Total active interactions: 0
Ottaviani G, Martel S, Carrupt PA.
Ottaviani G, Martel S, Carrupt PA.
Parallel artificial membrane permeability assay: a new membrane for the fast prediction of passive human skin... Ottaviani G, Martel S, Carrupt PA.: Parallel artificial membrane permeability assay: a new membrane for the fast prediction of passive human skin permeability. J Med Chem, Volume 49 (13), 2006 J Med Chem 2006 16789751
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Oubrie A, Kaptein A, de Zwart E, Hoogenboom N, Goorden R,...
Oubrie A, Kaptein A, de Zwart E, Hoogenboom N, Goorden R, van de Kar B, van Hoek M, de Kimpe V, van der Heijden R, Borsboom J, Kazemier B, de Roos J, Scheffers M, Lommerse J, Schultz-Fademrecht C, Barf T.
Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series. Oubrie A, Kaptein A, de Zwart E, Hoogenboom N, Goorden R, van de Kar B, van Hoek M, de Kimpe V, van der Heijden R, Borsboom J, Kazemier B, de Roos J, Scheffers M, Lommerse J, Schultz-Fademrecht C, Barf T.: Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series. Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22119462
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Oude Elferink RP, Zadina J.
Oude Elferink RP, Zadina J.
MDR1 P-glycoprotein transports endogenous opioid peptides. Oude Elferink RP, Zadina J.: MDR1 P-glycoprotein transports endogenous opioid peptides. Peptides, Volume 22 (12), 2001 Peptides 2001 11786185
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Ovadia O, Linde Y, Haskell-Luevano C, Dirain ML, Sheynis T,...
Ovadia O, Linde Y, Haskell-Luevano C, Dirain ML, Sheynis T, Jelinek R, Gilon C, Hoffman A.
The effect of backbone cyclization on PK/PD properties of bioactive peptide-peptoid hybrids: the melanocortin agonist... Ovadia O, Linde Y, Haskell-Luevano C, Dirain ML, Sheynis T, Jelinek R, Gilon C, Hoffman A.: The effect of backbone cyclization on PK/PD properties of bioactive peptide-peptoid hybrids: the melanocortin agonist paradigm. Bioorg Med Chem, Volume 18 (2), 2010 Bioorg Med Chem 2010 20056544
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Owen DR, Dodd PG, Gayton S, Greener BS, Harbottle GW,...
Owen DR, Dodd PG, Gayton S, Greener BS, Harbottle GW, Mantell SJ, Maw GN, Osborne SA, Rees H, Ringer TJ, Rodriguez-Lens M, Smith GF.
Structure-activity relationships of novel non-competitive mGluR1 antagonists: a potential treatment for chronic pain. Owen DR, Dodd PG, Gayton S, Greener BS, Harbottle GW, Mantell SJ, Maw GN, Osborne SA, Rees H, Ringer TJ, Rodriguez-Lens M, Smith GF.: Structure-activity relationships of novel non-competitive mGluR1 antagonists: a potential treatment for chronic pain. Bioorg Med Chem Lett, Volume 17 (2), 2007 Bioorg Med Chem Lett 2007 17064898
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Ozen Z, Dash RC, McCarthy KR, Chow SA, Rizzo AA, Korzhnev...
Ozen Z, Dash RC, McCarthy KR, Chow SA, Rizzo AA, Korzhnev DM, Hadden MK.
Small molecule scaffolds that disrupt the Rev1-CT/RIR protein-protein interaction. Ozen Z, Dash RC, McCarthy KR, Chow SA, Rizzo AA, Korzhnev DM, Hadden MK.: Small molecule scaffolds that disrupt the Rev1-CT/RIR protein-protein interaction. Bioorg Med Chem, Volume 26 (14), 2018 Bioorg Med Chem 2018 30037752
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Ozvegy C, Litman T, Szakács G, Nagy Z, Bates S, Váradi A,...
Ozvegy C, Litman T, Szakács G, Nagy Z, Bates S, Váradi A, Sarkadi B.
Functional characterization of the human multidrug transporter, ABCG2, expressed in insect cells. Ozvegy C, Litman T, Szakács G, Nagy Z, Bates S, Váradi A, Sarkadi B.: Functional characterization of the human multidrug transporter, ABCG2, expressed in insect cells. Biochem Biophys Res Commun, Volume 285 (1), 2001 Biochem Biophys Res Commun 2001 11437380
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Ozvegy-Laczka C, Hegedus T, Várady G, Ujhelly O, Schuetz...
Ozvegy-Laczka C, Hegedus T, Várady G, Ujhelly O, Schuetz JD, Váradi A, Kéri G, Orfi L, Német K, Sarkadi B.
High-affinity interaction of tyrosine kinase inhibitors with the ABCG2 multidrug transporter. Ozvegy-Laczka C, Hegedus T, Várady G, Ujhelly O, Schuetz JD, Váradi A, Kéri G, Orfi L, Német K, Sarkadi B.: High-affinity interaction of tyrosine kinase inhibitors with the ABCG2 multidrug transporter. Mol Pharmacol, Volume 65 (6), 2004 Mol Pharmacol 2004 15155841
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Pace JR, Teske KA, Chau LQ, Dash RC, Zaino AM,...
Pace JR, Teske KA, Chau LQ, Dash RC, Zaino AM, Wechsler-Reya RJ, Hadden MK.
Structure-Activity Relationships for Itraconazole-Based Triazolone Analogues as Hedgehog Pathway Inhibitors. Pace JR, Teske KA, Chau LQ, Dash RC, Zaino AM, Wechsler-Reya RJ, Hadden MK.: Structure-Activity Relationships for Itraconazole-Based Triazolone Analogues as Hedgehog Pathway Inhibitors. J Med Chem, Volume 62 (8), 2019 J Med Chem 2019 30896941
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Pacheco PAF, Galvão RMS, Faria AFM, Von Ranke NL, Rangel...
Pacheco PAF, Galvão RMS, Faria AFM, Von Ranke NL, Rangel MS, Ribeiro TM, Bello ML, Rodrigues CR, Ferreira VF, da Rocha DR, Faria RX.
8-Hydroxy-2-(1H-1,2,3-triazol-1-yl)-1,4-naphtoquinone derivatives inhibited P2X7 Receptor-Induced dye uptake into... Pacheco PAF, Galvão RMS, Faria AFM, Von Ranke NL, Rangel MS, Ribeiro TM, Bello ML, Rodrigues CR, Ferreira VF, da Rocha DR, Faria RX.: 8-Hydroxy-2-(1H-1,2,3-triazol-1-yl)-1,4-naphtoquinone derivatives inhibited P2X7 Receptor-Induced dye uptake into murine Macrophages. Bioorg Med Chem, Volume 27 (8), 2019 Bioorg Med Chem 2019 30528164
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Packiarajan M, Marzabadi MR, Desai M, Lu Y, Noble SA, Wong...
Packiarajan M, Marzabadi MR, Desai M, Lu Y, Noble SA, Wong WC, Jubian V, Chandrasena G, Wolinsky TD, Zhong H, Walker MW, Wiborg O, Andersen K.
Discovery of Lu AA33810: a highly selective and potent NPY5 antagonist with in vivo efficacy in a model of mood... Packiarajan M, Marzabadi MR, Desai M, Lu Y, Noble SA, Wong WC, Jubian V, Chandrasena G, Wolinsky TD, Zhong H, Walker MW, Wiborg O, Andersen K.: Discovery of Lu AA33810: a highly selective and potent NPY5 antagonist with in vivo efficacy in a model of mood disorder. Bioorg Med Chem Lett, Volume 21 (18), 2011 Bioorg Med Chem Lett 2011 21782428
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Pacyniak E, Roth M, Hagenbuch B, Guo GL.
Pacyniak E, Roth M, Hagenbuch B, Guo GL.
Mechanism of polybrominated diphenyl ether uptake into the liver: PBDE congeners are substrates of human hepatic OATP... Pacyniak E, Roth M, Hagenbuch B, Guo GL.: Mechanism of polybrominated diphenyl ether uptake into the liver: PBDE congeners are substrates of human hepatic OATP transporters. Toxicol Sci, Volume 115 (2), 2010 Toxicol Sci 2010 20176623
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Paczkowski FA, Sharpe IA, Dutertre S, Lewis RJ.
Paczkowski FA, Sharpe IA, Dutertre S, Lewis RJ.
chi-Conotoxin and tricyclic antidepressant interactions at the norepinephrine transporter define a new transporter... Paczkowski FA, Sharpe IA, Dutertre S, Lewis RJ.: chi-Conotoxin and tricyclic antidepressant interactions at the norepinephrine transporter define a new transporter model. J Biol Chem, Volume 282 (24), 2007 J Biol Chem 2007 17428804
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Pade V, Stavchansky S.
Pade V, Stavchansky S.
Link between drug absorption solubility and permeability measurements in Caco-2 cells. Pade V, Stavchansky S.: Link between drug absorption solubility and permeability measurements in Caco-2 cells. J Pharm Sci, Volume 87 (12), 1604-1607, 1998 J Pharm Sci 1998 10189274
Total substances: 9
Total passive interactions: 9
Total active interactions: 0
Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z,...
Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.
An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.: An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem, Volume 25 (23), 2017 Bioorg Med Chem 2017 28442262
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Pagare PP, Li M, Zheng Y, Kulkarni AS, Obeng S, Huang B,...
Pagare PP, Li M, Zheng Y, Kulkarni AS, Obeng S, Huang B, Ruiz C, Gillespie JC, Mendez RE, Stevens DL, Poklis JL, Halquist MS, Dewey WL, Selley DE, Zhang Y.
Design, Synthesis, and Biological Evaluation of NAP Isosteres: A Switch from Peripheral to Central Nervous System... Pagare PP, Li M, Zheng Y, Kulkarni AS, Obeng S, Huang B, Ruiz C, Gillespie JC, Mendez RE, Stevens DL, Poklis JL, Halquist MS, Dewey WL, Selley DE, Zhang Y.: Design, Synthesis, and Biological Evaluation of NAP Isosteres: A Switch from Peripheral to Central Nervous System Acting Mu-Opioid Receptor Antagonists. J Med Chem, Volume 65 (6), 2022 J Med Chem 2022 35255685
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Pajeva IK, Wiese M.
Pajeva IK, Wiese M.
Pharmacophore model of drugs involved in P-glycoprotein multidrug resistance: explanation of structural variety... Pajeva IK, Wiese M.: Pharmacophore model of drugs involved in P-glycoprotein multidrug resistance: explanation of structural variety (hypothesis). J Med Chem, Volume 45 (26), 2002 J Med Chem 2002 12477351
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Palaiokostas M, Ding W, Shahane G, Orsi M.
Palaiokostas M, Ding W, Shahane G, Orsi M.
Effects of lipid composition on membrane permeation. Palaiokostas M, Ding W, Shahane G, Orsi M.: Effects of lipid composition on membrane permeation. Soft Matter, Volume 14 (42), 8496-8508, 2018 Soft Matter 2018 30346462
Total substances: 3
Total passive interactions: 3
Total active interactions: 0
Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan...
Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.
Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of... Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000 J Med Chem 2000 11052805
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Palanki MS, Erdman PE, Ren M, Suto M, Bennett BL, Manning...
Palanki MS, Erdman PE, Ren M, Suto M, Bennett BL, Manning A, Ransone L, Spooner C, Desai S, Ow A, Totsuka R, Tsao P, Toriumi W.
The design and synthesis of novel orally active inhibitors of AP-1 and NF-kappaB mediated transcriptional activation.... Palanki MS, Erdman PE, Ren M, Suto M, Bennett BL, Manning A, Ransone L, Spooner C, Desai S, Ow A, Totsuka R, Tsao P, Toriumi W.: The design and synthesis of novel orally active inhibitors of AP-1 and NF-kappaB mediated transcriptional activation. SAR of in vitro and in vivo studies. Bioorg Med Chem Lett, Volume 13 (22), 2003 Bioorg Med Chem Lett 2003 14592511
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Palmer MJ, Deng X, Watts S, Krilov G, Gerasyuto A, Kokkonda...
Palmer MJ, Deng X, Watts S, Krilov G, Gerasyuto A, Kokkonda S, El Mazouni F, White J, White KL, Striepen J, Bath J, Schindler KA, Yeo T, Shackleford DM, Mok S, Deni I, Lawong A, Huang A, Chen G, Wang W, Jayaseelan J, Katneni K, Patil R, Saunders J, Shahi SP, Chittimalla R, Angulo-Barturen I, Jiménez-Díaz MB, Wittlin S, Tumwebaze PK, Rosenthal PJ, Cooper RA, Aguiar ACC, Guido RVC, Pereira DB, Mittal N, Winzeler EA, Tomchick DR, Laleu B, Burrows JN, Rathod PK, Fidock DA, Charman SA, Phillips MA.
Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a... Palmer MJ, Deng X, Watts S, Krilov G, Gerasyuto A, Kokkonda S, El Mazouni F, White J, White KL, Striepen J, Bath J, Schindler KA, Yeo T, Shackleford DM, Mok S, Deni I, Lawong A, Huang A, Chen G, Wang W, Jayaseelan J, Katneni K, Patil R, Saunders J, Shahi SP, Chittimalla R, Angulo-Barturen I, Jiménez-Díaz MB, Wittlin S, Tumwebaze PK, Rosenthal PJ, Cooper RA, Aguiar ACC, Guido RVC, Pereira DB, Mittal N, Winzeler EA, Tomchick DR, Laleu B, Burrows JN, Rathod PK, Fidock DA, Charman SA, Phillips MA.: Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J Med Chem, Volume 64 (9), 2021 J Med Chem 2021 33876936
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Palmer WS, Alam M, Arzeno HB, Chang KC, Dunn JP, Goldstein...
Palmer WS, Alam M, Arzeno HB, Chang KC, Dunn JP, Goldstein DM, Gong L, Goyal B, Hermann JC, Hogg JH, Hsieh G, Jahangir A, Janson C, Jin S, Ursula Kammlott R, Kuglstatter A, Lukacs C, Michoud C, Niu L, Reuter DC, Shao A, Silva T, Trejo-Martin TA, Stein K, Tan YC, Tivitmahaisoon P, Tran P, Wagner P, Weller P, Wu SY.
Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a... Palmer WS, Alam M, Arzeno HB, Chang KC, Dunn JP, Goldstein DM, Gong L, Goyal B, Hermann JC, Hogg JH, Hsieh G, Jahangir A, Janson C, Jin S, Ursula Kammlott R, Kuglstatter A, Lukacs C, Michoud C, Niu L, Reuter DC, Shao A, Silva T, Trejo-Martin TA, Stein K, Tan YC, Tivitmahaisoon P, Tran P, Wagner P, Weller P, Wu SY.: Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead. Bioorg Med Chem Lett, Volume 23 (5), 2013 Bioorg Med Chem Lett 2013 23352510
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Palmer WS, Poncet-Montange G, Liu G, Petrocchi A, Reyna N,...
Palmer WS, Poncet-Montange G, Liu G, Petrocchi A, Reyna N, Subramanian G, Theroff J, Yau A, Kost-Alimova M, Bardenhagen JP, Leo E, Shepard HE, Tieu TN, Shi X, Zhan Y, Zhao S, Barton MC, Draetta G, Toniatti C, Jones P, Geck Do M, Andersen JN.
Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. Palmer WS, Poncet-Montange G, Liu G, Petrocchi A, Reyna N, Subramanian G, Theroff J, Yau A, Kost-Alimova M, Bardenhagen JP, Leo E, Shepard HE, Tieu TN, Shi X, Zhan Y, Zhao S, Barton MC, Draetta G, Toniatti C, Jones P, Geck Do M, Andersen JN.: Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J Med Chem, Volume 59 (4), 2016 J Med Chem 2016 26061247
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Palomo V, Perez DI, Perez C, Morales-Garcia JA, Soteras I,...
Palomo V, Perez DI, Perez C, Morales-Garcia JA, Soteras I, Alonso-Gil S, Encinas A, Castro A, Campillo NE, Perez-Castillo A, Gil C, Martinez A.
5-imino-1,2,4-thiadiazoles: first small molecules as substrate competitive inhibitors of glycogen synthase kinase 3. Palomo V, Perez DI, Perez C, Morales-Garcia JA, Soteras I, Alonso-Gil S, Encinas A, Castro A, Campillo NE, Perez-Castillo A, Gil C, Martinez A.: 5-imino-1,2,4-thiadiazoles: first small molecules as substrate competitive inhibitors of glycogen synthase kinase 3. J Med Chem, Volume 55 (4), 2012 J Med Chem 2012 22257026
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Paloncýová M, Ameloot M, Knippenberg S.
Paloncýová M, Ameloot M, Knippenberg S.
Orientational distribution of DPH in lipid membranes: a comparison of molecular dynamics calculations and experimental... Paloncýová M, Ameloot M, Knippenberg S.: Orientational distribution of DPH in lipid membranes: a comparison of molecular dynamics calculations and experimental time-resolved anisotropy experiments. Phys Chem Chem Phys, Volume 21 (14), 7594-7604, 2019 Phys Chem Chem Phys 2019 30900721
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Pan M, Cui J, Jiao L, Ghaleb H, Liao C, Zhou J, Kairuki M,...
Pan M, Cui J, Jiao L, Ghaleb H, Liao C, Zhou J, Kairuki M, Lin H, Huang W, Qian H.
Synthesis and biological evaluation of JL-A7 derivatives as potent ABCB1 inhibitors. Pan M, Cui J, Jiao L, Ghaleb H, Liao C, Zhou J, Kairuki M, Lin H, Huang W, Qian H.: Synthesis and biological evaluation of JL-A7 derivatives as potent ABCB1 inhibitors. Bioorg Med Chem, Volume 25 (15), 2017 Bioorg Med Chem 2017 28645831
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng...
Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.
Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the... Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 26 (10), 2016 Bioorg Med Chem Lett 2016 27072909
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Pan W, Lahue BR, Ma Y, Nair LG, Shipps GW, Wang Y, Doll R,...
Pan W, Lahue BR, Ma Y, Nair LG, Shipps GW, Wang Y, Doll R, Bogen SL.
Core modification of substituted piperidines as novel inhibitors of HDM2-p53 protein-protein interaction. Pan W, Lahue BR, Ma Y, Nair LG, Shipps GW, Wang Y, Doll R, Bogen SL.: Core modification of substituted piperidines as novel inhibitors of HDM2-p53 protein-protein interaction. Bioorg Med Chem Lett, Volume 24 (8), 2014 Bioorg Med Chem Lett 2014 24656661
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Pan X, Iyer KA, Liu H, Sweet DH, Dukat M.
Pan X, Iyer KA, Liu H, Sweet DH, Dukat M.
A new chemotype inhibitor for the human organic cation transporter 3 (hOCT3). Pan X, Iyer KA, Liu H, Sweet DH, Dukat M.: A new chemotype inhibitor for the human organic cation transporter 3 (hOCT3). Bioorg Med Chem Lett, Volume 27 (18), 2017 Bioorg Med Chem Lett 2017 28811134
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Panek D, Więckowska A, Wichur T, Bajda M, Godyń J,...
Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.
Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines... Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017 Eur J Med Chem 2017 27721153
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Panknin O, Wagenfeld A, Bone W, Bender E, Nowak-Reppel K,...
Panknin O, Wagenfeld A, Bone W, Bender E, Nowak-Reppel K, Fernández-Montalván AE, Nubbemeyer R, Bäurle S, Ring S, Schmees N, Prien O, Schäfer M, Friedrich C, Zollner TM, Steinmeyer A, Mueller T, Langer G.
Discovery and Characterization of BAY 1214784, an Orally Available Spiroindoline Derivative Acting as a Potent and... Panknin O, Wagenfeld A, Bone W, Bender E, Nowak-Reppel K, Fernández-Montalván AE, Nubbemeyer R, Bäurle S, Ring S, Schmees N, Prien O, Schäfer M, Friedrich C, Zollner TM, Steinmeyer A, Mueller T, Langer G.: Discovery and Characterization of BAY 1214784, an Orally Available Spiroindoline Derivative Acting as a Potent and Selective Antagonist of the Human Gonadotropin-Releasing Hormone Receptor as Proven in a First-In-Human Study in Postmenopausal Women. J Med Chem, Volume 63 (20), 2020 J Med Chem 2020 32960053
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Papa P, Whitefield B, Mortensen DS, Cashion D, Huang D,...
Papa P, Whitefield B, Mortensen DS, Cashion D, Huang D, Torres E, Parnes J, Sapienza J, Hansen J, Correa M, Delgado M, Harris R, Hegde S, Norris S, Bahmanyar S, Plantevin-Krenitsky V, Liu Z, Leftheris K, Kulkarni A, Bennett B, Hur EM, Ringheim G, Khambatta G, Chan H, Muir J, Blease K, Burnett K, LeBrun L, Morrison L, Celeridad M, Khattri R, Cathers BE.
Discovery of the Selective Protein Kinase C-θ Kinase Inhibitor, CC-90005. Papa P, Whitefield B, Mortensen DS, Cashion D, Huang D, Torres E, Parnes J, Sapienza J, Hansen J, Correa M, Delgado M, Harris R, Hegde S, Norris S, Bahmanyar S, Plantevin-Krenitsky V, Liu Z, Leftheris K, Kulkarni A, Bennett B, Hur EM, Ringheim G, Khambatta G, Chan H, Muir J, Blease K, Burnett K, LeBrun L, Morrison L, Celeridad M, Khattri R, Cathers BE.: Discovery of the Selective Protein Kinase C-θ Kinase Inhibitor, CC-90005. J Med Chem, Volume 64 (16), 2021 J Med Chem 2021 34355886
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Papadopoulou MV, Bloomer WD, Lepesheva GI, Rosenzweig HS,...
Papadopoulou MV, Bloomer WD, Lepesheva GI, Rosenzweig HS, Kaiser M, Aguilera-Venegas B, Wilkinson SR, Chatelain E, Ioset JR.
Novel 3-nitrotriazole-based amides and carbinols as bifunctional antichagasic agents. Papadopoulou MV, Bloomer WD, Lepesheva GI, Rosenzweig HS, Kaiser M, Aguilera-Venegas B, Wilkinson SR, Chatelain E, Ioset JR.: Novel 3-nitrotriazole-based amides and carbinols as bifunctional antichagasic agents. J Med Chem, Volume 58 (3), 2015 J Med Chem 2015 25580906
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Papadopoulou MV, Bloomer WD, Rosenzweig HS.
Papadopoulou MV, Bloomer WD, Rosenzweig HS.
The antitubercular activity of various nitro(triazole/imidazole)-based compounds. Papadopoulou MV, Bloomer WD, Rosenzweig HS.: The antitubercular activity of various nitro(triazole/imidazole)-based compounds. Bioorg Med Chem, Volume 25 (21), 2017 Bioorg Med Chem 2017 28993106
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Papageorgiou C, Camenisch G, Borer X.
Papageorgiou C, Camenisch G, Borer X.
Cell permeability as a parameter for lead generation in the protein Tyrosine kinase inhibition field. Papageorgiou C, Camenisch G, Borer X.: Cell permeability as a parameter for lead generation in the protein Tyrosine kinase inhibition field. Bioorg Med Chem Lett, Volume 11 (12), 2001 Bioorg Med Chem Lett 2001 11412978
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Papeo G, Orsini P, Avanzi NR, Borghi D, Casale E, Ciomei M,...
Papeo G, Orsini P, Avanzi NR, Borghi D, Casale E, Ciomei M, Cirla A, Desperati V, Donati D, Felder ER, Galvani A, Guanci M, Isacchi A, Posteri H, Rainoldi S, Riccardi-Sirtori F, Scolaro A, Montagnoli A.
Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515. Papeo G, Orsini P, Avanzi NR, Borghi D, Casale E, Ciomei M, Cirla A, Desperati V, Donati D, Felder ER, Galvani A, Guanci M, Isacchi A, Posteri H, Rainoldi S, Riccardi-Sirtori F, Scolaro A, Montagnoli A.: Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515. ACS Med Chem Lett, Volume 10 (4), 2019 ACS Med Chem Lett 2019 30996792
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Papeo G, Posteri H, Borghi D, Busel AA, Caprera F, Casale...
Papeo G, Posteri H, Borghi D, Busel AA, Caprera F, Casale E, Ciomei M, Cirla A, Corti E, D'Anello M, Fasolini M, Forte B, Galvani A, Isacchi A, Khvat A, Krasavin MY, Lupi R, Orsini P, Perego R, Pesenti E, Pezzetta D, Rainoldi S, Riccardi-Sirtori F, Scolaro A, Sola F, Zuccotto F, Felder ER, Donati D, Montagnoli A.
Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide... Papeo G, Posteri H, Borghi D, Busel AA, Caprera F, Casale E, Ciomei M, Cirla A, Corti E, D'Anello M, Fasolini M, Forte B, Galvani A, Isacchi A, Khvat A, Krasavin MY, Lupi R, Orsini P, Perego R, Pesenti E, Pezzetta D, Rainoldi S, Riccardi-Sirtori F, Scolaro A, Sola F, Zuccotto F, Felder ER, Donati D, Montagnoli A.: Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy. J Med Chem, Volume 58 (17), 2015 J Med Chem 2015 26222319
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Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.
Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.
Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes Parasassi T. , Krasnowska E. K. , Bagatolli L., Gratton E.: Laurdan and Prodan as Polarity-Sensitive Fluorescent Membrane Probes, J. Fluo. 8, 365, 1998 J. Fluo. 1998 10.1023/A:10205...
Total substances: 4
Total passive interactions: 5
Total active interactions: 0
Park E, Lee SJ, Moon H, Park J, Jeon H, Hwang JS, Hwang H,...
Park E, Lee SJ, Moon H, Park J, Jeon H, Hwang JS, Hwang H, Hong KB, Han SH, Choi S, Kang S.
Discovery and Biological Evaluation of N-Methyl-pyrrolo[2,3-b]pyridine-5-carboxamide Derivatives as... Park E, Lee SJ, Moon H, Park J, Jeon H, Hwang JS, Hwang H, Hong KB, Han SH, Choi S, Kang S.: Discovery and Biological Evaluation of N-Methyl-pyrrolo[2,3-b]pyridine-5-carboxamide Derivatives as JAK1-Selective Inhibitors. J Med Chem, Volume 64 (2), 2021 J Med Chem 2021 33428419
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Park JE, Song C, Choi K, Sim T, Moon B, Roh EJ.
Park JE, Song C, Choi K, Sim T, Moon B, Roh EJ.
Synthesis and biological evaluation of novel 3,4-diaryl lactam derivatives as triple reuptake inhibitors. Park JE, Song C, Choi K, Sim T, Moon B, Roh EJ.: Synthesis and biological evaluation of novel 3,4-diaryl lactam derivatives as triple reuptake inhibitors. Bioorg Med Chem Lett, Volume 23 (20), 2013 Bioorg Med Chem Lett 2013 24012181
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Park K, Lee BM, Hyun KH, Han T, Lee DH, Choi HH.
Park K, Lee BM, Hyun KH, Han T, Lee DH, Choi HH.
Design and Synthesis of Acetylenyl Benzamide Derivatives as Novel Glucokinase Activators for the Treatment of T2DM. Park K, Lee BM, Hyun KH, Han T, Lee DH, Choi HH.: Design and Synthesis of Acetylenyl Benzamide Derivatives as Novel Glucokinase Activators for the Treatment of T2DM. ACS Med Chem Lett, Volume 6 (3), 2015 ACS Med Chem Lett 2015 25815149
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Park K, Lee BM, Hyun KH, Lee DH, Choi HH, Kim H, Chong W,...
Park K, Lee BM, Hyun KH, Lee DH, Choi HH, Kim H, Chong W, Kim KB, Nam SY.
Discovery of... Park K, Lee BM, Hyun KH, Lee DH, Choi HH, Kim H, Chong W, Kim KB, Nam SY.: Discovery of 3-(4-methanesulfonylphenoxy)-N-[1-(2-methoxy-ethoxymethyl)-1H-pyrazol-3-yl]-5-(3-methylpyridin-2-yl)-benzamide as a novel glucokinase activator (GKA) for the treatment of type 2 diabetes mellitus. Bioorg Med Chem, Volume 22 (7), 2014 Bioorg Med Chem 2014 24588963
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Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán...
Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán JJ, Raboisson P, Schubert C, Koblish HK, Zhao S, Franks CF, Lattanze J, Carver TE, Cummings MD, Maguire D, Grasberger BL, Maroney AC, Lu T.
Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein... Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán JJ, Raboisson P, Schubert C, Koblish HK, Zhao S, Franks CF, Lattanze J, Carver TE, Cummings MD, Maguire D, Grasberger BL, Maroney AC, Lu T.: Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design. Bioorg Med Chem Lett, Volume 16 (12), 2006 Bioorg Med Chem Lett 2006 16600594
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Parlow JJ, Burney MW, Case BL, Girard TJ, Hall KA, Harris...
Parlow JJ, Burney MW, Case BL, Girard TJ, Hall KA, Harris PK, Hiebsch RR, Huff RM, Lachance RM, Mischke DA, Rapp SR, Woerndle RS, Ennis MD.
Piperazinyl glutamate pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation. Parlow JJ, Burney MW, Case BL, Girard TJ, Hall KA, Harris PK, Hiebsch RR, Huff RM, Lachance RM, Mischke DA, Rapp SR, Woerndle RS, Ennis MD.: Piperazinyl glutamate pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation. J Med Chem, Volume 53 (5), 2010 J Med Chem 2010 20141147
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Parmenopoulou V, Kantsadi AL, Tsirkone VG, Chatzileontiadou...
Parmenopoulou V, Kantsadi AL, Tsirkone VG, Chatzileontiadou DS, Manta S, Zographos SE, Molfeta C, Archontis G, Agius L, Hayes JM, Leonidas DD, Komiotis D.
Structure based inhibitor design targeting glycogen phosphorylase B. Virtual screening, synthesis, biochemical and... Parmenopoulou V, Kantsadi AL, Tsirkone VG, Chatzileontiadou DS, Manta S, Zographos SE, Molfeta C, Archontis G, Agius L, Hayes JM, Leonidas DD, Komiotis D.: Structure based inhibitor design targeting glycogen phosphorylase B. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-β-d-glucopyranosylamines. Bioorg Med Chem, Volume 22 (17), 2014 Bioorg Med Chem 2014 25092521
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Parr BT, Pastor R, Sellers BD, Pei Z, Jaipuri FA, Castanedo...
Parr BT, Pastor R, Sellers BD, Pei Z, Jaipuri FA, Castanedo GM, Gazzard L, Kumar S, Li X, Liu W, Mendonca R, Pavana RK, Potturi H, Shao C, Velvadapu V, Waldo JP, Wu G, Yuen PW, Zhang Z, Zhang Y, Harris SF, Oh AJ, DiPasquale A, Dement K, La H, Goon L, Gustafson A, VanderPorten EC, Mautino MR, Liu Y.
Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors. Parr BT, Pastor R, Sellers BD, Pei Z, Jaipuri FA, Castanedo GM, Gazzard L, Kumar S, Li X, Liu W, Mendonca R, Pavana RK, Potturi H, Shao C, Velvadapu V, Waldo JP, Wu G, Yuen PW, Zhang Z, Zhang Y, Harris SF, Oh AJ, DiPasquale A, Dement K, La H, Goon L, Gustafson A, VanderPorten EC, Mautino MR, Liu Y.: Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors. ACS Med Chem Lett, Volume 11 (4), 2020 ACS Med Chem Lett 2020 32292562
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Parsy CC, Alexandre FR, Bidau V, Bonnaterre F, Brandt G,...
Parsy CC, Alexandre FR, Bidau V, Bonnaterre F, Brandt G, Caillet C, Cappelle S, Chaves D, Convard T, Derock M, Gloux D, Griffon Y, Lallos LB, Leroy F, Liuzzi M, Loi AG, Moulat L, Chiara M, Rahali H, Roques V, Rosinovsky E, Savin S, Seifer M, Standring D, Surleraux D.
Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical... Parsy CC, Alexandre FR, Bidau V, Bonnaterre F, Brandt G, Caillet C, Cappelle S, Chaves D, Convard T, Derock M, Gloux D, Griffon Y, Lallos LB, Leroy F, Liuzzi M, Loi AG, Moulat L, Chiara M, Rahali H, Roques V, Rosinovsky E, Savin S, Seifer M, Standring D, Surleraux D.: Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320. Bioorg Med Chem Lett, Volume 25 (22), 2015 Bioorg Med Chem Lett 2015 26410074
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Pasero C, D'Agostino I, De Luca F, Zamperini C, Deodato D,...
Pasero C, D'Agostino I, De Luca F, Zamperini C, Deodato D, Truglio GI, Sannio F, Del Prete R, Ferraro T, Visaggio D, Mancini A, Guglielmi MB, Visca P, Docquier JD, Botta M.
Alkyl-guanidine Compounds as Potent Broad-Spectrum Antibacterial Agents: Chemical Library Extension and Biological... Pasero C, D'Agostino I, De Luca F, Zamperini C, Deodato D, Truglio GI, Sannio F, Del Prete R, Ferraro T, Visaggio D, Mancini A, Guglielmi MB, Visca P, Docquier JD, Botta M.: Alkyl-guanidine Compounds as Potent Broad-Spectrum Antibacterial Agents: Chemical Library Extension and Biological Characterization. J Med Chem, Volume 61 (20), 2018 J Med Chem 2018 30265809
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Patel NC, Schwarz J, Hou XJ, Hoover DJ, Xie L, Fliri AJ,...
Patel NC, Schwarz J, Hou XJ, Hoover DJ, Xie L, Fliri AJ, Gallaschun RJ, Lazzaro JT, Bryce DK, Hoffmann WE, Hanks AN, McGinnis D, Marr ES, Gazard JL, Hajós M, Scialis RJ, Hurst RS, Shaffer CL, Pandit J, O'Donnell CJ.
Discovery and characterization of a novel dihydroisoxazole class of α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic... Patel NC, Schwarz J, Hou XJ, Hoover DJ, Xie L, Fliri AJ, Gallaschun RJ, Lazzaro JT, Bryce DK, Hoffmann WE, Hanks AN, McGinnis D, Marr ES, Gazard JL, Hajós M, Scialis RJ, Hurst RS, Shaffer CL, Pandit J, O'Donnell CJ.: Discovery and characterization of a novel dihydroisoxazole class of α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor potentiators. J Med Chem, Volume 56 (22), 2013 J Med Chem 2013 24215237
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Patel S, Cohen F, Dean BJ, De La Torre K, Deshmukh G,...
Patel S, Cohen F, Dean BJ, De La Torre K, Deshmukh G, Estrada AA, Ghosh AS, Gibbons P, Gustafson A, Huestis MP, Le Pichon CE, Lin H, Liu W, Liu X, Liu Y, Ly CQ, Lyssikatos JP, Ma C, Scearce-Levie K, Shin YG, Solanoy H, Stark KL, Wang J, Wang B, Zhao X, Lewcock JW, Siu M.
Discovery of dual leucine zipper kinase (DLK, MAP3K12) inhibitors with activity in neurodegeneration models. Patel S, Cohen F, Dean BJ, De La Torre K, Deshmukh G, Estrada AA, Ghosh AS, Gibbons P, Gustafson A, Huestis MP, Le Pichon CE, Lin H, Liu W, Liu X, Liu Y, Ly CQ, Lyssikatos JP, Ma C, Scearce-Levie K, Shin YG, Solanoy H, Stark KL, Wang J, Wang B, Zhao X, Lewcock JW, Siu M.: Discovery of dual leucine zipper kinase (DLK, MAP3K12) inhibitors with activity in neurodegeneration models. J Med Chem, Volume 58 (1), 2015 J Med Chem 2015 25341110
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Patel S, Harris SF, Gibbons P, Deshmukh G, Gustafson A,...
Patel S, Harris SF, Gibbons P, Deshmukh G, Gustafson A, Kellar T, Lin H, Liu X, Liu Y, Liu Y, Ma C, Scearce-Levie K, Ghosh AS, Shin YG, Solanoy H, Wang J, Wang B, Yin J, Siu M, Lewcock JW.
Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant... Patel S, Harris SF, Gibbons P, Deshmukh G, Gustafson A, Kellar T, Lin H, Liu X, Liu Y, Liu Y, Ma C, Scearce-Levie K, Ghosh AS, Shin YG, Solanoy H, Wang J, Wang B, Yin J, Siu M, Lewcock JW.: Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12). J Med Chem, Volume 58 (20), 2015 J Med Chem 2015 26431428
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Patel S, Meilandt WJ, Erickson RI, Chen J, Deshmukh G,...
Patel S, Meilandt WJ, Erickson RI, Chen J, Deshmukh G, Estrada AA, Fuji RN, Gibbons P, Gustafson A, Harris SF, Imperio J, Liu W, Liu X, Liu Y, Lyssikatos JP, Ma C, Yin J, Lewcock JW, Siu M.
Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease. Patel S, Meilandt WJ, Erickson RI, Chen J, Deshmukh G, Estrada AA, Fuji RN, Gibbons P, Gustafson A, Harris SF, Imperio J, Liu W, Liu X, Liu Y, Lyssikatos JP, Ma C, Yin J, Lewcock JW, Siu M.: Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease. J Med Chem, Volume 60 (19), 2017 J Med Chem 2017 28929759
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Patnaik S, Basu D, Southall N, Dehdashti S, Wan KK, Zheng...
Patnaik S, Basu D, Southall N, Dehdashti S, Wan KK, Zheng W, Ferrer M, Taylor M, Engel DA, Marugan JJ.
Identification, design and synthesis of novel pyrazolopyridine influenza virus nonstructural protein 1 antagonists. Patnaik S, Basu D, Southall N, Dehdashti S, Wan KK, Zheng W, Ferrer M, Taylor M, Engel DA, Marugan JJ.: Identification, design and synthesis of novel pyrazolopyridine influenza virus nonstructural protein 1 antagonists. Bioorg Med Chem Lett, Volume 29 (9), 2019 Bioorg Med Chem Lett 2019 30852083
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Patnaik S, Zheng W, Choi JH, Motabar O, Southall N,...
Patnaik S, Zheng W, Choi JH, Motabar O, Southall N, Westbroek W, Lea WA, Velayati A, Goldin E, Sidransky E, Leister W, Marugan JJ.
Discovery, structure-activity relationship, and biological evaluation of noninhibitory small molecule chaperones of... Patnaik S, Zheng W, Choi JH, Motabar O, Southall N, Westbroek W, Lea WA, Velayati A, Goldin E, Sidransky E, Leister W, Marugan JJ.: Discovery, structure-activity relationship, and biological evaluation of noninhibitory small molecule chaperones of glucocerebrosidase. J Med Chem, Volume 55 (12), 2012 J Med Chem 2012 22646221
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Patocka J, Zhao B, Wu W, Klimova B, Valis M, Nepovimova E,...
Patocka J, Zhao B, Wu W, Klimova B, Valis M, Nepovimova E, Kuca K.
Flakka: New Dangerous Synthetic Cathinone on the Drug Scene. Patocka J, Zhao B, Wu W, Klimova B, Valis M, Nepovimova E, Kuca K.: Flakka: New Dangerous Synthetic Cathinone on the Drug Scene. Int J Mol Sci, Volume 21 (21), 2020 Int J Mol Sci 2020 33142953
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Patrick KS, Williard RL, VanWert AL, Dowd JJ, Oatis JE,...
Patrick KS, Williard RL, VanWert AL, Dowd JJ, Oatis JE, Middaugh LD.
Synthesis and pharmacology of ethylphenidate enantiomers: the human transesterification metabolite of methylphenidate... Patrick KS, Williard RL, VanWert AL, Dowd JJ, Oatis JE, Middaugh LD.: Synthesis and pharmacology of ethylphenidate enantiomers: the human transesterification metabolite of methylphenidate and ethanol. J Med Chem, Volume 48 (8), 2005 J Med Chem 2005 15828826
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Patrone JD, Waterson AG, Fesik SW.
Patrone JD, Waterson AG, Fesik SW.
Recent advancements in the discovery of protein-protein interaction inhibitors of replication protein A. Patrone JD, Waterson AG, Fesik SW.: Recent advancements in the discovery of protein-protein interaction inhibitors of replication protein A. Medchemcomm, Volume 8 (2), 2017 Medchemcomm 2017 30108742
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Paudel S, Cao Y, Guo S, An B, Kim KM, Cheon SH.
Paudel S, Cao Y, Guo S, An B, Kim KM, Cheon SH.
Design and synthesis of 4-benzylpiperidine carboxamides as dual serotonin and norepinephrine reuptake inhibitors. Paudel S, Cao Y, Guo S, An B, Kim KM, Cheon SH.: Design and synthesis of 4-benzylpiperidine carboxamides as dual serotonin and norepinephrine reuptake inhibitors. Bioorg Med Chem, Volume 23 (19), 2015 Bioorg Med Chem 2015 26337019
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Paul B, Rahaman O, Roy S, Pal S, Satish S, Mukherjee A,...
Paul B, Rahaman O, Roy S, Pal S, Satish S, Mukherjee A, Ghosh AR, Raychaudhuri D, Bhattacharya R, Goon S, Ganguly D, Talukdar A.
Activity-guided development of potent and selective toll-like receptor 9 antagonists. Paul B, Rahaman O, Roy S, Pal S, Satish S, Mukherjee A, Ghosh AR, Raychaudhuri D, Bhattacharya R, Goon S, Ganguly D, Talukdar A.: Activity-guided development of potent and selective toll-like receptor 9 antagonists. Eur J Med Chem, Volume 159, 2018 Eur J Med Chem 2018 30292896
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Pauli-Magnus C, Rekersbrink S, Klotz U, Fromm MF.
Pauli-Magnus C, Rekersbrink S, Klotz U, Fromm MF.
Interaction of omeprazole, lansoprazole and pantoprazole with P-glycoprotein. Pauli-Magnus C, Rekersbrink S, Klotz U, Fromm MF.: Interaction of omeprazole, lansoprazole and pantoprazole with P-glycoprotein. Naunyn Schmiedebergs Arch Pharmacol, Volume 364 (6), 2001 Naunyn Schmiedebergs Arch Pharmacol 2001 11770010
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Paumi CM, Ledford BG, Smitherman PK, Townsend AJ, Morrow CS.
Paumi CM, Ledford BG, Smitherman PK, Townsend AJ, Morrow CS.
Role of multidrug resistance protein 1 (MRP1) and glutathione S-transferase A1-1 in alkylating agent resistance.... Paumi CM, Ledford BG, Smitherman PK, Townsend AJ, Morrow CS.: Role of multidrug resistance protein 1 (MRP1) and glutathione S-transferase A1-1 in alkylating agent resistance. Kinetics of glutathione conjugate formation and efflux govern differential cellular sensitivity to chlorambucil versus melphalan toxicity. J Biol Chem, Volume 276 (11), 2001 J Biol Chem 2001 11115505
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Payne CE, Brown AR, Theile JW, Loucif AJ, Alexandrou AJ,...
Payne CE, Brown AR, Theile JW, Loucif AJ, Alexandrou AJ, Fuller MD, Mahoney JH, Antonio BM, Gerlach AC, Printzenhoff DM, Prime RL, Stockbridge G, Kirkup AJ, Bannon AW, England S, Chapman ML, Bagal S, Roeloffs R, Anand U, Anand P, Bungay PJ, Kemp M, Butt RP, Stevens EB.
A novel selective and orally bioavailable Nav 1.8 channel blocker, PF-01247324, attenuates nociception and sensory... Payne CE, Brown AR, Theile JW, Loucif AJ, Alexandrou AJ, Fuller MD, Mahoney JH, Antonio BM, Gerlach AC, Printzenhoff DM, Prime RL, Stockbridge G, Kirkup AJ, Bannon AW, England S, Chapman ML, Bagal S, Roeloffs R, Anand U, Anand P, Bungay PJ, Kemp M, Butt RP, Stevens EB.: A novel selective and orally bioavailable Nav 1.8 channel blocker, PF-01247324, attenuates nociception and sensory neuron excitability. Br J Pharmacol, Volume 172 (10), 2015 Br J Pharmacol 2015 25625641
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson...
Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.
Novel GSK-3 inhibitors with improved cellular activity. Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004 Bioorg Med Chem Lett 2004 15080993
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Peauger L, Azzouz R, Gembus V, Ţînţaş ML, Sopková-de...
Peauger L, Azzouz R, Gembus V, Ţînţaş ML, Sopková-de Oliveira Santos J, Bohn P, Papamicaël C, Levacher V.
Donepezil-Based Central Acetylcholinesterase Inhibitors by Means of a "Bio-Oxidizable" Prodrug Strategy: Design,... Peauger L, Azzouz R, Gembus V, Ţînţaş ML, Sopková-de Oliveira Santos J, Bohn P, Papamicaël C, Levacher V.: Donepezil-Based Central Acetylcholinesterase Inhibitors by Means of a "Bio-Oxidizable" Prodrug Strategy: Design, Synthesis, and in Vitro Biological Evaluation. J Med Chem, Volume 60 (13), 2017 J Med Chem 2017 28613859
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Pecchi S, Ni ZJ, Han W, Smith A, Lan J, Burger M, Merritt...
Pecchi S, Ni ZJ, Han W, Smith A, Lan J, Burger M, Merritt H, Wiesmann M, Chan J, Kaufman S, Knapp MS, Janssen J, Huh K, Voliva CF.
Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K. Pecchi S, Ni ZJ, Han W, Smith A, Lan J, Burger M, Merritt H, Wiesmann M, Chan J, Kaufman S, Knapp MS, Janssen J, Huh K, Voliva CF.: Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K. Bioorg Med Chem Lett, Volume 23 (16), 2013 Bioorg Med Chem Lett 2013 23820386
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Pechulis AD, Beck JP, Curry MA, Wolf MA, Harms AE, Xi N,...
Pechulis AD, Beck JP, Curry MA, Wolf MA, Harms AE, Xi N, Opalka C, Sweet MP, Yang Z, Vellekoop AS, Klos AM, Crocker PJ, Hassler C, Laws M, Kitchen DB, Smith MA, Olson RE, Liu S, Molino BF.
4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors. Pechulis AD, Beck JP, Curry MA, Wolf MA, Harms AE, Xi N, Opalka C, Sweet MP, Yang Z, Vellekoop AS, Klos AM, Crocker PJ, Hassler C, Laws M, Kitchen DB, Smith MA, Olson RE, Liu S, Molino BF.: 4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 22 (23), 2012 Bioorg Med Chem Lett 2012 23084899
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Peddi S, Roth BL, Glennon RA, Westkaemper RB.
Peddi S, Roth BL, Glennon RA, Westkaemper RB.
Structural determinants for high 5-HT(2A) receptor affinity of spiro[9,10-dihydroanthracene]-9,3(')-pyrrolidine... Peddi S, Roth BL, Glennon RA, Westkaemper RB.: Structural determinants for high 5-HT(2A) receptor affinity of spiro[9,10-dihydroanthracene]-9,3(')-pyrrolidine (SpAMDA). Bioorg Med Chem Lett, Volume 14 (9), 2004 Bioorg Med Chem Lett 2004 15081025
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Peddibhotla S, Hedrick MP, Hershberger P, Maloney PR, Li Y,...
Peddibhotla S, Hedrick MP, Hershberger P, Maloney PR, Li Y, Milewski M, Gosalia P, Gray W, Mehta A, Sugarman E, Hood B, Suyama E, Nguyen K, Heynen-Genel S, Vasile S, Salaniwal S, Stonich D, Su Y, Mangravita-Novo A, Vicchiarelli M, Roth GP, Smith LH, Chung TD, Hanson GR, Thomas JB, Caron MG, Barak LS, Pinkerton AB.
Discovery of ML314, a Brain Penetrant Non-Peptidic β-Arrestin Biased Agonist of the Neurotensin NTR1 Receptor. Peddibhotla S, Hedrick MP, Hershberger P, Maloney PR, Li Y, Milewski M, Gosalia P, Gray W, Mehta A, Sugarman E, Hood B, Suyama E, Nguyen K, Heynen-Genel S, Vasile S, Salaniwal S, Stonich D, Su Y, Mangravita-Novo A, Vicchiarelli M, Roth GP, Smith LH, Chung TD, Hanson GR, Thomas JB, Caron MG, Barak LS, Pinkerton AB.: Discovery of ML314, a Brain Penetrant Non-Peptidic β-Arrestin Biased Agonist of the Neurotensin NTR1 Receptor. ACS Med Chem Lett, Volume 4 (9), 2013 ACS Med Chem Lett 2013 24611085
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Peddibhotla S, Shi R, Khan P, Smith LH, Mangravita-Novo A,...
Peddibhotla S, Shi R, Khan P, Smith LH, Mangravita-Novo A, Vicchiarelli M, Su Y, Okolotowicz KJ, Cashman JR, Reed JC, Roth GP.
Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and... Peddibhotla S, Shi R, Khan P, Smith LH, Mangravita-Novo A, Vicchiarelli M, Su Y, Okolotowicz KJ, Cashman JR, Reed JC, Roth GP.: Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules. J Med Chem, Volume 53 (12), 2010 J Med Chem 2010 20481485
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Pedersen JM, Matsson P, Bergström CA, Norinder U,...
Pedersen JM, Matsson P, Bergström CA, Norinder U, Hoogstraate J, Artursson P.
Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance... Pedersen JM, Matsson P, Bergström CA, Norinder U, Hoogstraate J, Artursson P.: Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2). J Med Chem, Volume 51 (11), 2008 J Med Chem 2008 18457386
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Pedersen SF, King SA, Nygaard EB, Rigor RR, Cala PM.
Pedersen SF, King SA, Nygaard EB, Rigor RR, Cala PM.
NHE1 inhibition by amiloride- and benzoylguanidine-type compounds. Inhibitor binding loci deduced from chimeras of NHE1... Pedersen SF, King SA, Nygaard EB, Rigor RR, Cala PM.: NHE1 inhibition by amiloride- and benzoylguanidine-type compounds. Inhibitor binding loci deduced from chimeras of NHE1 homologues with endogenous differences in inhibitor sensitivity. J Biol Chem, Volume 282 (27), 2007 J Biol Chem 2007 17493937
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G,...
Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G.
Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G.: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem, Volume 19 (15), 2011 Bioorg Med Chem 2011 21741846
Total substances: 24
Total passive interactions: 0
Total active interactions: 24
Pedron J, Boudot C, Brossas JY, Pinault E, Bourgeade-Delmas...
Pedron J, Boudot C, Brossas JY, Pinault E, Bourgeade-Delmas S, Sournia-Saquet A, Boutet-Robinet E, Destere A, Tronnet A, Bergé J, Bonduelle C, Deraeve C, Pratviel G, Stigliani JL, Paris L, Mazier D, Corvaisier S, Since M, Malzert-Fréon A, Wyllie S, Milne R, Fairlamb AH, Valentin A, Courtioux B, Verhaeghe P.
New 8-Nitroquinolinone Derivative Displaying Submicromolar in Vitro Activities against Both Trypanosoma brucei and... Pedron J, Boudot C, Brossas JY, Pinault E, Bourgeade-Delmas S, Sournia-Saquet A, Boutet-Robinet E, Destere A, Tronnet A, Bergé J, Bonduelle C, Deraeve C, Pratviel G, Stigliani JL, Paris L, Mazier D, Corvaisier S, Since M, Malzert-Fréon A, Wyllie S, Milne R, Fairlamb AH, Valentin A, Courtioux B, Verhaeghe P.: New 8-Nitroquinolinone Derivative Displaying Submicromolar in Vitro Activities against Both Trypanosoma brucei and cruzi. ACS Med Chem Lett, Volume 11 (4), 2020 ACS Med Chem Lett 2020 32292551
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Pégurier C, Bosman N, Collart P, Delporte ML, Leclercq K,...
Pégurier C, Bosman N, Collart P, Delporte ML, Leclercq K, Lengelé S, Kanduluru AK, Meunier S, Pacico N, Vadali LR, Wagner A, Wolff C, Provins L.
Benzyl prolinate derivatives as novel selective KCC2 blockers. Pégurier C, Bosman N, Collart P, Delporte ML, Leclercq K, Lengelé S, Kanduluru AK, Meunier S, Pacico N, Vadali LR, Wagner A, Wolff C, Provins L.: Benzyl prolinate derivatives as novel selective KCC2 blockers. Bioorg Med Chem Lett, Volume 20 (8), 2010 Bioorg Med Chem Lett 2010 20299216
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Pégurier C, Collart P, Danhaive P, Defays S, Gillard M,...
Pégurier C, Collart P, Danhaive P, Defays S, Gillard M, Gilson F, Kogej T, Pasau P, Van Houtvin N, Van Thuyne M, van Keulen B.
Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists. Pégurier C, Collart P, Danhaive P, Defays S, Gillard M, Gilson F, Kogej T, Pasau P, Van Houtvin N, Van Thuyne M, van Keulen B.: Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists. Bioorg Med Chem Lett, Volume 17 (15), 2007 Bioorg Med Chem Lett 2007 17532633
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Pelletier JC, Chen S, Bian H, Shah R, Smith GR, Wrobel JE,...
Pelletier JC, Chen S, Bian H, Shah R, Smith GR, Wrobel JE, Reitz AB.
Dipeptide Prodrugs of the Glutamate Modulator Riluzole. Pelletier JC, Chen S, Bian H, Shah R, Smith GR, Wrobel JE, Reitz AB.: Dipeptide Prodrugs of the Glutamate Modulator Riluzole. ACS Med Chem Lett, Volume 9 (7), 2018 ACS Med Chem Lett 2018 30034613
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Pelletier JC, Chengalvala M, Cottom J, Feingold I, Garrick...
Pelletier JC, Chengalvala M, Cottom J, Feingold I, Garrick L, Green D, Hauze D, Huselton C, Jetter J, Kao W, Kopf GS, Lundquist JT, Mann C, Mehlmann J, Rogers J, Shanno L, Wrobel J.
2-phenyl-4-piperazinylbenzimidazoles: orally active inhibitors of the gonadotropin releasing hormone (GnRH) receptor. Pelletier JC, Chengalvala M, Cottom J, Feingold I, Garrick L, Green D, Hauze D, Huselton C, Jetter J, Kao W, Kopf GS, Lundquist JT, Mann C, Mehlmann J, Rogers J, Shanno L, Wrobel J.: 2-phenyl-4-piperazinylbenzimidazoles: orally active inhibitors of the gonadotropin releasing hormone (GnRH) receptor. Bioorg Med Chem, Volume 16 (13), 2008 Bioorg Med Chem 2008 18511284
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Pelletier JC, Lundquist JT, Gilbert AM, Alon N, Bex FJ,...
Pelletier JC, Lundquist JT, Gilbert AM, Alon N, Bex FJ, Bhat BM, Bursavich MG, Coleburn VE, Felix LA, Green DM, Green P, Hauze DB, Kharode YP, Lam HS, Lockhead SR, Magolda RL, Matteo JJ, Mehlmann JF, Milligan C, Murrills RJ, Pirrello J, Selim S, Sharp MC, Unwalla RJ, Vera MD, Wrobel JE, Yaworsky P, Bodine PV.
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine: a wingless beta-catenin agonist that increases bone... Pelletier JC, Lundquist JT, Gilbert AM, Alon N, Bex FJ, Bhat BM, Bursavich MG, Coleburn VE, Felix LA, Green DM, Green P, Hauze DB, Kharode YP, Lam HS, Lockhead SR, Magolda RL, Matteo JJ, Mehlmann JF, Milligan C, Murrills RJ, Pirrello J, Selim S, Sharp MC, Unwalla RJ, Vera MD, Wrobel JE, Yaworsky P, Bodine PV.: (1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine: a wingless beta-catenin agonist that increases bone formation rate. J Med Chem, Volume 52 (22), 2009 J Med Chem 2009 19856966
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Pemberton N, Graden H, Evertsson E, Bratt E, Lepistö M,...
Pemberton N, Graden H, Evertsson E, Bratt E, Lepistö M, Johannesson P, Svensson PH.
Synthesis and functionalization of cyclic sulfonimidamides: a novel chiral heterocyclic carboxylic Acid bioisostere. Pemberton N, Graden H, Evertsson E, Bratt E, Lepistö M, Johannesson P, Svensson PH.: Synthesis and functionalization of cyclic sulfonimidamides: a novel chiral heterocyclic carboxylic Acid bioisostere. ACS Med Chem Lett, Volume 3 (7), 2012 ACS Med Chem Lett 2012 24900513
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Peng H, Talreja T, Xin Z, Cuervo JH, Kumaravel G, Humora...
Peng H, Talreja T, Xin Z, Cuervo JH, Kumaravel G, Humora MJ, Xu L, Rohde E, Gan L, Jung MY, Shackett MN, Chollate S, Dunah AW, Snodgrass-Belt PA, Arnold HM, Taveras AG, Rhodes KJ, Scannevin RH.
Discovery of BIIB042, a Potent, Selective, and Orally Bioavailable γ-Secretase Modulator. Peng H, Talreja T, Xin Z, Cuervo JH, Kumaravel G, Humora MJ, Xu L, Rohde E, Gan L, Jung MY, Shackett MN, Chollate S, Dunah AW, Snodgrass-Belt PA, Arnold HM, Taveras AG, Rhodes KJ, Scannevin RH.: Discovery of BIIB042, a Potent, Selective, and Orally Bioavailable γ-Secretase Modulator. ACS Med Chem Lett, Volume 2 (10), 2011 ACS Med Chem Lett 2011 24900267
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Peng J, Kudrimoti S, Prasanna S, Odde S, Doerksen RJ,...
Peng J, Kudrimoti S, Prasanna S, Odde S, Doerksen RJ, Pennaka HK, Choo YM, Rao KV, Tekwani BL, Madgula V, Khan SI, Wang B, Mayer AM, Jacob MR, Tu LC, Gertsch J, Hamann MT.
Structure-activity relationship and mechanism of action studies of manzamine analogues for the control of... Peng J, Kudrimoti S, Prasanna S, Odde S, Doerksen RJ, Pennaka HK, Choo YM, Rao KV, Tekwani BL, Madgula V, Khan SI, Wang B, Mayer AM, Jacob MR, Tu LC, Gertsch J, Hamann MT.: Structure-activity relationship and mechanism of action studies of manzamine analogues for the control of neuroinflammation and cerebral infections. J Med Chem, Volume 53 (1), 2010 J Med Chem 2010 20017491
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Pennington LD, Croghan MD, Sham KK, Pickrell AJ, Harrington...
Pennington LD, Croghan MD, Sham KK, Pickrell AJ, Harrington PE, Frohn MJ, Lanman BA, Reed AB, Lee MR, Xu H, McElvain M, Xu Y, Zhang X, Fiorino M, Horner M, Morrison HG, Arnett HA, Fotsch C, Tasker AS, Wong M, Cee VJ.
Quinolinone-based agonists of S1P₁: use of a N-scan SAR strategy to optimize in vitro and in vivo activity. Pennington LD, Croghan MD, Sham KK, Pickrell AJ, Harrington PE, Frohn MJ, Lanman BA, Reed AB, Lee MR, Xu H, McElvain M, Xu Y, Zhang X, Fiorino M, Horner M, Morrison HG, Arnett HA, Fotsch C, Tasker AS, Wong M, Cee VJ.: Quinolinone-based agonists of S1P₁: use of a N-scan SAR strategy to optimize in vitro and in vivo activity. Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22104144
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Pennington LD, Sham KK, Pickrell AJ, Harrington PE, Frohn...
Pennington LD, Sham KK, Pickrell AJ, Harrington PE, Frohn MJ, Lanman BA, Reed AB, Croghan MD, Lee MR, Xu H, McElvain M, Xu Y, Zhang X, Fiorino M, Horner M, Morrison HG, Arnett HA, Fotsch C, Wong M, Cee VJ.
4-Methoxy-N-[2-(trifluoromethyl)biphenyl-4-ylcarbamoyl]nicotinamide: A Potent and Selective Agonist of S1P1. Pennington LD, Sham KK, Pickrell AJ, Harrington PE, Frohn MJ, Lanman BA, Reed AB, Croghan MD, Lee MR, Xu H, McElvain M, Xu Y, Zhang X, Fiorino M, Horner M, Morrison HG, Arnett HA, Fotsch C, Wong M, Cee VJ.: 4-Methoxy-N-[2-(trifluoromethyl)biphenyl-4-ylcarbamoyl]nicotinamide: A Potent and Selective Agonist of S1P1. ACS Med Chem Lett, Volume 2 (10), 2011 ACS Med Chem Lett 2011 24900263
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Pensa AV, Cinelli MA, Li H, Chreifi G, Mukherjee P, Roman...
Pensa AV, Cinelli MA, Li H, Chreifi G, Mukherjee P, Roman LJ, Martásek P, Poulos TL, Silverman RB.
Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase... Pensa AV, Cinelli MA, Li H, Chreifi G, Mukherjee P, Roman LJ, Martásek P, Poulos TL, Silverman RB.: Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J Med Chem, Volume 60 (16), 2017 J Med Chem 2017 28776992
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Perales JB, Freeman J, Bacchi CJ, Bowling T, Don R, Gaukel...
Perales JB, Freeman J, Bacchi CJ, Bowling T, Don R, Gaukel E, Mercer L, Moore JA, Nare B, Nguyen TM, Noe RA, Randolph R, Rewerts C, Wring SA, Yarlett N, Jacobs RT.
SAR of 2-amino and 2,4-diamino pyrimidines with in vivo efficacy against Trypanosoma brucei. Perales JB, Freeman J, Bacchi CJ, Bowling T, Don R, Gaukel E, Mercer L, Moore JA, Nare B, Nguyen TM, Noe RA, Randolph R, Rewerts C, Wring SA, Yarlett N, Jacobs RT.: SAR of 2-amino and 2,4-diamino pyrimidines with in vivo efficacy against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 21 (10), 2011 Bioorg Med Chem Lett 2011 21507639
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Peretto I, Radaelli S, Parini C, Zandi M, Raveglia LF,...
Peretto I, Radaelli S, Parini C, Zandi M, Raveglia LF, Dondio G, Fontanella L, Misiano P, Bigogno C, Rizzi A, Riccardi B, Biscaioli M, Marchetti S, Puccini P, Catinella S, Rondelli I, Cenacchi V, Bolzoni PT, Caruso P, Villetti G, Facchinetti F, Del Giudice E, Moretto N, Imbimbo BP.
Synthesis and biological activity of flurbiprofen analogues as selective inhibitors of beta-amyloid(1)(-)(42) secretion. Peretto I, Radaelli S, Parini C, Zandi M, Raveglia LF, Dondio G, Fontanella L, Misiano P, Bigogno C, Rizzi A, Riccardi B, Biscaioli M, Marchetti S, Puccini P, Catinella S, Rondelli I, Cenacchi V, Bolzoni PT, Caruso P, Villetti G, Facchinetti F, Del Giudice E, Moretto N, Imbimbo BP.: Synthesis and biological activity of flurbiprofen analogues as selective inhibitors of beta-amyloid(1)(-)(42) secretion. J Med Chem, Volume 48 (18), 2005 J Med Chem 2005 16134939
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Pérez-Areales FJ, Di Pietro O, Espargaró A,...
Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.
Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating... Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014 Bioorg Med Chem 2014 25156301
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Pérez-Areales FJ, Garrido M, Aso E, Bartolini M, De Simone...
Pérez-Areales FJ, Garrido M, Aso E, Bartolini M, De Simone A, Espargaró A, Ginex T, Sabate R, Pérez B, Andrisano V, Puigoriol-Illamola D, Pallàs M, Luque FJ, Loza MI, Brea J, Ferrer I, Ciruela F, Messeguer A, Muñoz-Torrero D.
Centrally Active Multitarget Anti-Alzheimer Agents Derived from the Antioxidant Lead CR-6. Pérez-Areales FJ, Garrido M, Aso E, Bartolini M, De Simone A, Espargaró A, Ginex T, Sabate R, Pérez B, Andrisano V, Puigoriol-Illamola D, Pallàs M, Luque FJ, Loza MI, Brea J, Ferrer I, Ciruela F, Messeguer A, Muñoz-Torrero D.: Centrally Active Multitarget Anti-Alzheimer Agents Derived from the Antioxidant Lead CR-6. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32706255
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Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C,...
Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.
A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and... Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019 Eur J Med Chem 2019 31351393
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Perez-Medrano A, Brune ME, Buckner SA, Coghlan MJ, Fey TA,...
Perez-Medrano A, Brune ME, Buckner SA, Coghlan MJ, Fey TA, Gopalakrishnan M, Gregg RJ, Kort ME, Scott VE, Sullivan JP, Whiteaker KL, Carroll WA.
Structure-activity studies of novel cyanoguanidine ATP-sensitive potassium channel openers for the treatment of... Perez-Medrano A, Brune ME, Buckner SA, Coghlan MJ, Fey TA, Gopalakrishnan M, Gregg RJ, Kort ME, Scott VE, Sullivan JP, Whiteaker KL, Carroll WA.: Structure-activity studies of novel cyanoguanidine ATP-sensitive potassium channel openers for the treatment of overactive bladder. J Med Chem, Volume 50 (24), 2007 J Med Chem 2007 17973362
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Perlíková P, Pohl R, Votruba I, Shih R, Birkuš G,...
Perlíková P, Pohl R, Votruba I, Shih R, Birkuš G, Cihlář T, Hocek M.
Phosphoramidate pronucleotides of cytostatic 6-aryl-7-deazapurine ribonucleosides. Perlíková P, Pohl R, Votruba I, Shih R, Birkuš G, Cihlář T, Hocek M.: Phosphoramidate pronucleotides of cytostatic 6-aryl-7-deazapurine ribonucleosides. Bioorg Med Chem, Volume 19 (1), 2011 Bioorg Med Chem 2011 21134754
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Pero JE, Matthews JM, Behm DJ, Brnardic EJ, Brooks C,...
Pero JE, Matthews JM, Behm DJ, Brnardic EJ, Brooks C, Budzik BW, Costell MH, Donatelli CA, Eisennagel SH, Erhard K, Fischer MC, Holt DA, Jolivette LJ, Li H, Li P, McAtee JJ, McCleland BW, Pendrak I, Posobiec LM, Rivera KLK, Rivero RA, Roethke TJ, Sender MR, Shu A, Terrell LR, Vaidya K, Xu X, Lawhorn BG.
Design and Optimization of Sulfone Pyrrolidine Sulfonamide Antagonists of Transient Receptor Potential Vanilloid-4 with... Pero JE, Matthews JM, Behm DJ, Brnardic EJ, Brooks C, Budzik BW, Costell MH, Donatelli CA, Eisennagel SH, Erhard K, Fischer MC, Holt DA, Jolivette LJ, Li H, Li P, McAtee JJ, McCleland BW, Pendrak I, Posobiec LM, Rivera KLK, Rivero RA, Roethke TJ, Sender MR, Shu A, Terrell LR, Vaidya K, Xu X, Lawhorn BG.: Design and Optimization of Sulfone Pyrrolidine Sulfonamide Antagonists of Transient Receptor Potential Vanilloid-4 with in Vivo Activity in a Pulmonary Edema Model. J Med Chem, Volume 61 (24), 2018 J Med Chem 2018 30500190
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Perreault S, Arjmand F, Chandrasekhar J, Hao J, Keegan KS,...
Perreault S, Arjmand F, Chandrasekhar J, Hao J, Keegan KS, Koditek D, Lepist EI, Matson CK, McGrath ME, Patel L, Sedillo K, Therrien J, Till NA, Tomkinson A, Treiberg J, Zherebina Y, Phillips G.
Discovery of an Atropisomeric PI3Kβ Selective Inhibitor through Optimization of the Hinge Binding Motif. Perreault S, Arjmand F, Chandrasekhar J, Hao J, Keegan KS, Koditek D, Lepist EI, Matson CK, McGrath ME, Patel L, Sedillo K, Therrien J, Till NA, Tomkinson A, Treiberg J, Zherebina Y, Phillips G.: Discovery of an Atropisomeric PI3Kβ Selective Inhibitor through Optimization of the Hinge Binding Motif. ACS Med Chem Lett, Volume 11 (6), 2020 ACS Med Chem Lett 2020 32551006
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Pesci E, Bettinetti L, Fanti P, Galietta LJ, La Rosa S,...
Pesci E, Bettinetti L, Fanti P, Galietta LJ, La Rosa S, Magnoni L, Pedemonte N, Sardone GL, Maccari L.
Novel Hits in the Correction of ΔF508-Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Protein: Synthesis,... Pesci E, Bettinetti L, Fanti P, Galietta LJ, La Rosa S, Magnoni L, Pedemonte N, Sardone GL, Maccari L.: Novel Hits in the Correction of ΔF508-Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Protein: Synthesis, Pharmacological, and ADME Evaluation of Tetrahydropyrido[4,3-d]pyrimidines for the Potential Treatment of Cystic Fibrosis. J Med Chem, Volume 58 (24), 2015 J Med Chem 2015 26561003
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Peterlin, P., Gasper. J., Pisanski, T.
Peterlin, P., Gasper. J., Pisanski, T.
Determining membrane permeability of giant phospholipid vesicles from a series of videomicroscopy images Peterlin, P., Gasper. J., Pisanski, T. Determining membrane permeability of giant phospholipid vesicles from a series of videomicroscopy images. 2009. Meas. Sci. Technol. 20, 7pp Meas. Sci. Technol. 2009 10.1088/0957-02...
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Peters J, Eggers K, Oswald S, Block W, Lütjohann D,...
Peters J, Eggers K, Oswald S, Block W, Lütjohann D, Lämmer M, Venner M, Siegmund W.
Clarithromycin is absorbed by an intestinal uptake mechanism that is sensitive to major inhibition by rifampicin:... Peters J, Eggers K, Oswald S, Block W, Lütjohann D, Lämmer M, Venner M, Siegmund W.: Clarithromycin is absorbed by an intestinal uptake mechanism that is sensitive to major inhibition by rifampicin: results of a short-term drug interaction study in foals. Drug Metab Dispos, Volume 40 (3), 2012 Drug Metab Dispos 2012 22170330
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Petersen MD, Boye SV, Nielsen EH, Willumsen J, Sinning S,...
Petersen MD, Boye SV, Nielsen EH, Willumsen J, Sinning S, Wiborg O, Bols M.
Synthesis, inhibition and binding of simple non-nitrogen inhibitors of monoamine transporters. Petersen MD, Boye SV, Nielsen EH, Willumsen J, Sinning S, Wiborg O, Bols M.: Synthesis, inhibition and binding of simple non-nitrogen inhibitors of monoamine transporters. Bioorg Med Chem, Volume 15 (12), 2007 Bioorg Med Chem 2007 17446076
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Petrilli WL, Adam GC, Erdmann RS, Abeywickrema P, Agnani V,...
Petrilli WL, Adam GC, Erdmann RS, Abeywickrema P, Agnani V, Ai X, Baysarowich J, Byrne N, Caldwell JP, Chang W, DiNunzio E, Feng Z, Ford R, Ha S, Huang Y, Hubbard B, Johnston JM, Kavana M, Lisnock JM, Liang R, Lu J, Lu Z, Meng J, Orth P, Palyha O, Parthasarathy G, Salowe SP, Sharma S, Shipman J, Soisson SM, Strack AM, Youm H, Zhao K, Zink DL, Zokian H, Addona GH, Akinsanya K, Tata JR, Xiong Y, Imbriglio JE.
From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for... Petrilli WL, Adam GC, Erdmann RS, Abeywickrema P, Agnani V, Ai X, Baysarowich J, Byrne N, Caldwell JP, Chang W, DiNunzio E, Feng Z, Ford R, Ha S, Huang Y, Hubbard B, Johnston JM, Kavana M, Lisnock JM, Liang R, Lu J, Lu Z, Meng J, Orth P, Palyha O, Parthasarathy G, Salowe SP, Sharma S, Shipman J, Soisson SM, Strack AM, Youm H, Zhao K, Zink DL, Zokian H, Addona GH, Akinsanya K, Tata JR, Xiong Y, Imbriglio JE.: From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, Volume 27 (1), 2020 Cell Chem Biol 2020 31653597
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Petrocchi A, Leo E, Reyna NJ, Hamilton MM, Shi X, Parker...
Petrocchi A, Leo E, Reyna NJ, Hamilton MM, Shi X, Parker CA, Mseeh F, Bardenhagen JP, Leonard P, Cross JB, Huang S, Jiang Y, Cardozo M, Draetta G, Marszalek JR, Toniatti C, Jones P, Lewis RT.
Identification of potent and selective MTH1 inhibitors. Petrocchi A, Leo E, Reyna NJ, Hamilton MM, Shi X, Parker CA, Mseeh F, Bardenhagen JP, Leonard P, Cross JB, Huang S, Jiang Y, Cardozo M, Draetta G, Marszalek JR, Toniatti C, Jones P, Lewis RT.: Identification of potent and selective MTH1 inhibitors. Bioorg Med Chem Lett, Volume 26 (6), 2016 Bioorg Med Chem Lett 2016 26898335
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Pettersen D, Broddefalk J, Emtenäs H, Hayes MA, Lemurell...
Pettersen D, Broddefalk J, Emtenäs H, Hayes MA, Lemurell M, Swanson M, Ulander J, Whatling C, Amilon C, Ericsson H, Westin Eriksson A, Granberg K, Plowright AT, Shamovsky I, Dellsèn A, Sundqvist M, Någård M, Lindstedt EL.
Discovery and Early Clinical Development of an Inhibitor of 5-Lipoxygenase Activating Protein (AZD5718) for Treatment... Pettersen D, Broddefalk J, Emtenäs H, Hayes MA, Lemurell M, Swanson M, Ulander J, Whatling C, Amilon C, Ericsson H, Westin Eriksson A, Granberg K, Plowright AT, Shamovsky I, Dellsèn A, Sundqvist M, Någård M, Lindstedt EL.: Discovery and Early Clinical Development of an Inhibitor of 5-Lipoxygenase Activating Protein (AZD5718) for Treatment of Coronary Artery Disease. J Med Chem, Volume 62 (9), 2019 J Med Chem 2019 30869888
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Pettersson M, Johnson DS, Subramanyam C, Bales KR, am Ende...
Pettersson M, Johnson DS, Subramanyam C, Bales KR, am Ende CW, Fish BA, Green ME, Kauffman GW, Mullins PB, Navaratnam T, Sakya SM, Stiff CM, Tran TP, Xie L, Zhang L, Pustilnik LR, Vetelino BC, Wood KM, Pozdnyakov N, Verhoest PR, O'Donnell CJ.
Design, synthesis, and pharmacological evaluation of a novel series of pyridopyrazine-1,6-dione γ-secretase modulators. Pettersson M, Johnson DS, Subramanyam C, Bales KR, am Ende CW, Fish BA, Green ME, Kauffman GW, Mullins PB, Navaratnam T, Sakya SM, Stiff CM, Tran TP, Xie L, Zhang L, Pustilnik LR, Vetelino BC, Wood KM, Pozdnyakov N, Verhoest PR, O'Donnell CJ.: Design, synthesis, and pharmacological evaluation of a novel series of pyridopyrazine-1,6-dione γ-secretase modulators. J Med Chem, Volume 57 (3), 2014 J Med Chem 2014 24428186
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Pettus LH, Wurz RP, Xu S, Herberich B, Henkle B, Liu Q,...
Pettus LH, Wurz RP, Xu S, Herberich B, Henkle B, Liu Q, McBride HJ, Mu S, Plant MH, Saris CJ, Sherman L, Wong LM, Chmait S, Lee MR, Mohr C, Hsieh F, Tasker AS.
Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally... Pettus LH, Wurz RP, Xu S, Herberich B, Henkle B, Liu Q, McBride HJ, Mu S, Plant MH, Saris CJ, Sherman L, Wong LM, Chmait S, Lee MR, Mohr C, Hsieh F, Tasker AS.: Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem, Volume 53 (7), 2010 J Med Chem 2010 20218619
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Peukert S, Hughes R, Nunez J, He G, Yan Z, Jain R, Llamas...
Peukert S, Hughes R, Nunez J, He G, Yan Z, Jain R, Llamas L, Luchansky S, Carlson A, Liang G, Kunjathoor V, Pietropaolo M, Shapiro J, Castellana A, Wu X, Bose A.
Discovery of 2-Pyridylpyrimidines as the First Orally Bioavailable GPR39 Agonists. Peukert S, Hughes R, Nunez J, He G, Yan Z, Jain R, Llamas L, Luchansky S, Carlson A, Liang G, Kunjathoor V, Pietropaolo M, Shapiro J, Castellana A, Wu X, Bose A.: Discovery of 2-Pyridylpyrimidines as the First Orally Bioavailable GPR39 Agonists. ACS Med Chem Lett, Volume 5 (10), 2014 ACS Med Chem Lett 2014 25313322
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Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan...
Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan V, Mangas Sanjuan V, Centelles I, Garrigues TM, Cabrera-Pérez MÁ.
In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Pham The H, González-Álvarez I, Bermejo M, Mangas Sanjuan V, Mangas Sanjuan V, Centelles I, Garrigues TM, Cabrera-Pérez MÁ.: In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. Mol Inform, Volume 30 (4), 376-385, 2011 Mol Inform 2011 27466954
Total substances: 9
Total passive interactions: 9
Total active interactions: 0
Phillips DP, Gao W, Yang Y, Zhang G, Lerario IK, Lau TL,...
Phillips DP, Gao W, Yang Y, Zhang G, Lerario IK, Lau TL, Jiang J, Wang X, Nguyen DG, Bhat BG, Trotter C, Sullivan H, Welzel G, Landry J, Chen Y, Joseph SB, Li C, Gordon WP, Richmond W, Johnson K, Bretz A, Bursulaya B, Pan S, McNamara P, Seidel HM.
Discovery of trifluoromethyl(pyrimidin-2-yl)azetidine-2-carboxamides as potent, orally bioavailable TGR5 (GPBAR1)... Phillips DP, Gao W, Yang Y, Zhang G, Lerario IK, Lau TL, Jiang J, Wang X, Nguyen DG, Bhat BG, Trotter C, Sullivan H, Welzel G, Landry J, Chen Y, Joseph SB, Li C, Gordon WP, Richmond W, Johnson K, Bretz A, Bursulaya B, Pan S, McNamara P, Seidel HM.: Discovery of trifluoromethyl(pyrimidin-2-yl)azetidine-2-carboxamides as potent, orally bioavailable TGR5 (GPBAR1) agonists: structure-activity relationships, lead optimization, and chronic in vivo efficacy. J Med Chem, Volume 57 (8), 2014 J Med Chem 2014 24666203
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Pi Z, Johnson JA, Meng W, Phillips M, Schumacher WA,...
Pi Z, Johnson JA, Meng W, Phillips M, Schumacher WA, Bostwick JS, Gargalovic PS, Onorato JM, Generaux CN, Wang T, He Y, Gordon DA, Wexler RR, Finlay HJ.
Identification of 6-Hydroxypyrimidin-4(1H)-one-3-carboxamides as Potent and Orally Active APJ Receptor Agonists. Pi Z, Johnson JA, Meng W, Phillips M, Schumacher WA, Bostwick JS, Gargalovic PS, Onorato JM, Generaux CN, Wang T, He Y, Gordon DA, Wexler RR, Finlay HJ.: Identification of 6-Hydroxypyrimidin-4(1H)-one-3-carboxamides as Potent and Orally Active APJ Receptor Agonists. ACS Med Chem Lett, Volume 12 (11), 2021 ACS Med Chem Lett 2021 34795866
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Pichler A, Prior JL, Piwnica-Worms D.
Pichler A, Prior JL, Piwnica-Worms D.
Imaging reversal of multidrug resistance in living mice with bioluminescence: MDR1 P-glycoprotein transports... Pichler A, Prior JL, Piwnica-Worms D.: Imaging reversal of multidrug resistance in living mice with bioluminescence: MDR1 P-glycoprotein transports coelenterazine. Proc Natl Acad Sci U S A, Volume 101 (6), 2004 Proc Natl Acad Sci U S A 2004 14755051
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Pick A, Müller H, Mayer R, Haenisch B, Pajeva IK, Weigt M,...
Pick A, Müller H, Mayer R, Haenisch B, Pajeva IK, Weigt M, Bönisch H, Müller CE, Wiese M.
Structure-activity relationships of flavonoids as inhibitors of breast cancer resistance protein (BCRP). Pick A, Müller H, Mayer R, Haenisch B, Pajeva IK, Weigt M, Bönisch H, Müller CE, Wiese M.: Structure-activity relationships of flavonoids as inhibitors of breast cancer resistance protein (BCRP). Bioorg Med Chem, Volume 19 (6), 2011 Bioorg Med Chem 2011 21354800
Total substances: 25
Total passive interactions: 0
Total active interactions: 37
Pick A, Müller H, Wiese M.
Pick A, Müller H, Wiese M.
Novel lead for potent inhibitors of breast cancer resistance protein (BCRP). Pick A, Müller H, Wiese M.: Novel lead for potent inhibitors of breast cancer resistance protein (BCRP). Bioorg Med Chem Lett, Volume 20 (1), 2010 Bioorg Med Chem Lett 2010 19932960
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Pick A, Müller H, Wiese M.
Pick A, Müller H, Wiese M.
Structure-activity relationships of new inhibitors of breast cancer resistance protein (ABCG2). Pick A, Müller H, Wiese M.: Structure-activity relationships of new inhibitors of breast cancer resistance protein (ABCG2). Bioorg Med Chem, Volume 16 (17), 2008 Bioorg Med Chem 2008 18678495
Total substances: 9
Total passive interactions: 0
Total active interactions: 9
Pike KG, Barlaam B, Cadogan E, Campbell A, Chen Y,...
Pike KG, Barlaam B, Cadogan E, Campbell A, Chen Y, Colclough N, Davies NL, de-Almeida C, Degorce SL, Didelot M, Dishington A, Ducray R, Durant ST, Hassall LA, Holmes J, Hughes GD, MacFaul PA, Mulholland KR, McGuire TM, Ouvry G, Pass M, Robb G, Stratton N, Wang Z, Wilson J, Zhai B, Zhao K, Al-Huniti N.
The Identification of Potent, Selective, and Orally Available Inhibitors of Ataxia Telangiectasia Mutated (ATM) Kinase:... Pike KG, Barlaam B, Cadogan E, Campbell A, Chen Y, Colclough N, Davies NL, de-Almeida C, Degorce SL, Didelot M, Dishington A, Ducray R, Durant ST, Hassall LA, Holmes J, Hughes GD, MacFaul PA, Mulholland KR, McGuire TM, Ouvry G, Pass M, Robb G, Stratton N, Wang Z, Wilson J, Zhai B, Zhao K, Al-Huniti N.: The Identification of Potent, Selective, and Orally Available Inhibitors of Ataxia Telangiectasia Mutated (ATM) Kinase: The Discovery of AZD0156 (8-{6-[3-(Dimethylamino)propoxy]pyridin-3-yl}-3-methyl-1-(tetrahydro-2 H-pyran-4-yl)-1,3-dihydro-2 H-imidazo[4,5- c]quinolin-2-one). J Med Chem, Volume 61 (9), 2018 J Med Chem 2018 29683659
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Pinard E, Alanine A, Alberati D, Bender M, Borroni E,...
Pinard E, Alanine A, Alberati D, Bender M, Borroni E, Bourdeaux P, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Nettekoven M, Norcross RD, Puellmann B, Schmid P, Schmitt S, Stalder H, Wermuth R, Wettstein JG, Zimmerli D.
Selective GlyT1 inhibitors: discovery of... Pinard E, Alanine A, Alberati D, Bender M, Borroni E, Bourdeaux P, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Nettekoven M, Norcross RD, Puellmann B, Schmid P, Schmitt S, Stalder H, Wermuth R, Wettstein JG, Zimmerli D.: Selective GlyT1 inhibitors: discovery of [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia. J Med Chem, Volume 53 (12), 2010 J Med Chem 2010 20491477
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Pinard E, Alberati D, Alvarez-Sanchez R, Brom V, Burner S,...
Pinard E, Alberati D, Alvarez-Sanchez R, Brom V, Burner S, Fischer H, Hauser N, Kolczewski S, Lengyel J, Mory R, Saladin C, Schulz-Gasch T, Stalder H.
3-Amido-3-aryl-piperidines: A Novel Class of Potent, Selective, and Orally Active GlyT1 Inhibitors. Pinard E, Alberati D, Alvarez-Sanchez R, Brom V, Burner S, Fischer H, Hauser N, Kolczewski S, Lengyel J, Mory R, Saladin C, Schulz-Gasch T, Stalder H.: 3-Amido-3-aryl-piperidines: A Novel Class of Potent, Selective, and Orally Active GlyT1 Inhibitors. ACS Med Chem Lett, Volume 5 (4), 2014 ACS Med Chem Lett 2014 24900853
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner...
Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.
Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010 Bioorg Med Chem Lett 2010 20974532
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Pinard E, Alberati D, Borroni E, Fischer H, Hainzl D,...
Pinard E, Alberati D, Borroni E, Fischer H, Hainzl D, Jolidon S, Moreau JL, Narquizian R, Nettekoven M, Norcross RD, Stalder H, Thomas AW.
Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors. Pinard E, Alberati D, Borroni E, Fischer H, Hainzl D, Jolidon S, Moreau JL, Narquizian R, Nettekoven M, Norcross RD, Stalder H, Thomas AW.: Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008 Bioorg Med Chem Lett 2008 18752953
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Pinard E, Green L, Reutlinger M, Weetall M, Naryshkin NA,...
Pinard E, Green L, Reutlinger M, Weetall M, Naryshkin NA, Baird J, Chen KS, Paushkin SV, Metzger F, Ratni H.
Discovery of a Novel Class of Survival Motor Neuron 2 Splicing Modifiers for the Treatment of Spinal Muscular Atrophy. Pinard E, Green L, Reutlinger M, Weetall M, Naryshkin NA, Baird J, Chen KS, Paushkin SV, Metzger F, Ratni H.: Discovery of a Novel Class of Survival Motor Neuron 2 Splicing Modifiers for the Treatment of Spinal Muscular Atrophy. J Med Chem, Volume 60 (10), 2017 J Med Chem 2017 28441483
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Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS,...
Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.
Discovery of... Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007 J Med Chem 2007 17914785
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Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E,...
Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E, Wells B, Ellis C, He MY, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, Mersinger L, Kettner C, Bai S, He K, Wexler RR, Lam PY.
1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-t... Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E, Wells B, Ellis C, He MY, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, Mersinger L, Kettner C, Bai S, He K, Wexler RR, Lam PY.: 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg Med Chem Lett, Volume 16 (15), 2006 Bioorg Med Chem Lett 2006 16730984
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Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E,...
Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.
Discovery of... Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.: Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 44 (4), 2001 J Med Chem 2001 11170646
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Pinto DJ, Smallheer JM, Corte JR, Austin EJ, Wang C, Fang...
Pinto DJ, Smallheer JM, Corte JR, Austin EJ, Wang C, Fang T, Smith LM, Rossi KA, Rendina AR, Bozarth JM, Zhang G, Wei A, Ramamurthy V, Sheriff S, Myers JE, Morin PE, Luettgen JM, Seiffert DA, Quan ML, Wexler RR.
Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Pinto DJ, Smallheer JM, Corte JR, Austin EJ, Wang C, Fang T, Smith LM, Rossi KA, Rendina AR, Bozarth JM, Zhang G, Wei A, Ramamurthy V, Sheriff S, Myers JE, Morin PE, Luettgen JM, Seiffert DA, Quan ML, Wexler RR.: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg Med Chem Lett, Volume 25 (7), 2015 Bioorg Med Chem Lett 2015 25728130
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Piotrowski DW, Futatsugi K, Casimiro-Garcia A, Wei L,...
Piotrowski DW, Futatsugi K, Casimiro-Garcia A, Wei L, Sammons MF, Herr M, Jiao W, Lavergne SY, Coffey SB, Wright SW, Song K, Loria PM, Banker ME, Petersen DN, Bauman J.
Identification of Morpholino-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-ones as Nonsteroidal Mineralocorticoid Antagonists. Piotrowski DW, Futatsugi K, Casimiro-Garcia A, Wei L, Sammons MF, Herr M, Jiao W, Lavergne SY, Coffey SB, Wright SW, Song K, Loria PM, Banker ME, Petersen DN, Bauman J.: Identification of Morpholino-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-ones as Nonsteroidal Mineralocorticoid Antagonists. J Med Chem, Volume 61 (3), 2018 J Med Chem 2018 29300474
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Piotrowski DW, Futatsugi K, Warmus JS, Orr ST, Freeman-Cook...
Piotrowski DW, Futatsugi K, Warmus JS, Orr ST, Freeman-Cook KD, Londregan AT, Wei L, Jennings SM, Herr M, Coffey SB, Jiao W, Storer G, Hepworth D, Wang J, Lavergne SY, Chin JE, Hadcock JR, Brenner MB, Wolford AC, Janssen AM, Roush NS, Buxton J, Hinchey T, Kalgutkar AS, Sharma R, Flynn DA.
Identification of Tetrahydropyrido[4,3-d]pyrimidine Amides as a New Class of Orally Bioavailable TGR5 Agonists. Piotrowski DW, Futatsugi K, Warmus JS, Orr ST, Freeman-Cook KD, Londregan AT, Wei L, Jennings SM, Herr M, Coffey SB, Jiao W, Storer G, Hepworth D, Wang J, Lavergne SY, Chin JE, Hadcock JR, Brenner MB, Wolford AC, Janssen AM, Roush NS, Buxton J, Hinchey T, Kalgutkar AS, Sharma R, Flynn DA.: Identification of Tetrahydropyrido[4,3-d]pyrimidine Amides as a New Class of Orally Bioavailable TGR5 Agonists. ACS Med Chem Lett, Volume 4 (1), 2013 ACS Med Chem Lett 2013 24900564
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Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett...
Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.
Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009 Bioorg Med Chem Lett 2009 19815410
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Piqueras AI, Somers M, Hammond TG, Strange K, Harris HW,...
Piqueras AI, Somers M, Hammond TG, Strange K, Harris HW, Gawryl M, Zeidel ML.
Permeability properties of rat renal lysosomes. Piqueras AI, Somers M, Hammond TG, Strange K, Harris HW, Gawryl M, Zeidel ML.: Permeability properties of rat renal lysosomes. Am J Physiol, Volume 266 (1 pt 1), 1994 Am J Physiol 1994 8304410
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Pisani L, Muncipinto G, Miscioscia TF, Nicolotti O,...
Pisani L, Muncipinto G, Miscioscia TF, Nicolotti O, Leonetti F, Catto M, Caccia C, Salvati P, Soto-Otero R, Mendez-Alvarez E, Passeleu C, Carotti A.
Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological... Pisani L, Muncipinto G, Miscioscia TF, Nicolotti O, Leonetti F, Catto M, Caccia C, Salvati P, Soto-Otero R, Mendez-Alvarez E, Passeleu C, Carotti A.: Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological profiling of 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one methanesulfonate (NW-1772) as a highly potent, selective, reversible, and orally active monoamine oxidase B inhibitor. J Med Chem, Volume 52 (21), 2009 J Med Chem 2009 19810674
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Pissot Soldermann C, Simic O, Renatus M, Erbel P, Melkko S,...
Pissot Soldermann C, Simic O, Renatus M, Erbel P, Melkko S, Wartmann M, Bigaud M, Weiss A, McSheehy P, Endres R, Santos P, Blank J, Schuffenhauer A, Bold G, Buschmann N, Zoller T, Altmann E, Manley PW, Dix I, Buchdunger E, Scesa J, Quancard J, Schlapbach A, Bornancin F, Radimerski T, Régnier CH.
Discovery of Potent, Highly Selective, and In Vivo Efficacious, Allosteric MALT1 Inhibitors by Iterative... Pissot Soldermann C, Simic O, Renatus M, Erbel P, Melkko S, Wartmann M, Bigaud M, Weiss A, McSheehy P, Endres R, Santos P, Blank J, Schuffenhauer A, Bold G, Buschmann N, Zoller T, Altmann E, Manley PW, Dix I, Buchdunger E, Scesa J, Quancard J, Schlapbach A, Bornancin F, Radimerski T, Régnier CH.: Discovery of Potent, Highly Selective, and In Vivo Efficacious, Allosteric MALT1 Inhibitors by Iterative Scaffold Morphing. J Med Chem, Volume 63 (23), 2020 J Med Chem 2020 33252239
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Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F,...
Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.
Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol,... Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017 Eur J Med Chem 2017 27769030
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Pizzagalli F, Hagenbuch B, Stieger B, Klenk U, Folkers G,...
Pizzagalli F, Hagenbuch B, Stieger B, Klenk U, Folkers G, Meier PJ.
Identification of a novel human organic anion transporting polypeptide as a high affinity thyroxine transporter. Pizzagalli F, Hagenbuch B, Stieger B, Klenk U, Folkers G, Meier PJ.: Identification of a novel human organic anion transporting polypeptide as a high affinity thyroxine transporter. Mol Endocrinol, Volume 16 (10), 2002 Mol Endocrinol 2002 12351693
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Plano D, Baquedano Y, Moreno-Mateos D, Font M,...
Plano D, Baquedano Y, Moreno-Mateos D, Font M, Jiménez-Ruiz A, Palop JA, Sanmartín C.
Selenocyanates and diselenides: a new class of potent antileishmanial agents. Plano D, Baquedano Y, Moreno-Mateos D, Font M, Jiménez-Ruiz A, Palop JA, Sanmartín C.: Selenocyanates and diselenides: a new class of potent antileishmanial agents. Eur J Med Chem, Volume 46 (8), 2011 Eur J Med Chem 2011 21571403
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Plisson C, McConathy J, Martarello L, Malveaux EJ, Camp VM,...
Plisson C, McConathy J, Martarello L, Malveaux EJ, Camp VM, Williams L, Votaw JR, Goodman MM.
Synthesis, radiosynthesis, and biological evaluation of carbon-11 and iodine-123 labeled... Plisson C, McConathy J, Martarello L, Malveaux EJ, Camp VM, Williams L, Votaw JR, Goodman MM.: Synthesis, radiosynthesis, and biological evaluation of carbon-11 and iodine-123 labeled 2beta-carbomethoxy-3beta-[4'-((Z)-2-haloethenyl)phenyl]tropanes: candidate radioligands for in vivo imaging of the serotonin transporter. J Med Chem, Volume 47 (5), 2004 J Med Chem 2004 14971892
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Plouvier B, Beatch GN, Jung GL, Zolotoy A, Sheng T, Clohs...
Plouvier B, Beatch GN, Jung GL, Zolotoy A, Sheng T, Clohs L, Barrett TD, Fedida D, Wang WQ, Zhu JJ, Liu Y, Abraham S, Lynn L, Dong Y, Wall RA, Walker MJ.
Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of... Plouvier B, Beatch GN, Jung GL, Zolotoy A, Sheng T, Clohs L, Barrett TD, Fedida D, Wang WQ, Zhu JJ, Liu Y, Abraham S, Lynn L, Dong Y, Wall RA, Walker MJ.: Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation. J Med Chem, Volume 50 (12), 2007 J Med Chem 2007 17506538
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Plowright AT, Nilsson K, Antonsson M, Amin K, Broddefalk J,...
Plowright AT, Nilsson K, Antonsson M, Amin K, Broddefalk J, Jensen J, Lehmann A, Jin S, St-Onge S, Tomaszewski MJ, Tremblay M, Walpole C, Wei Z, Yang H, Ulander J.
Discovery of agonists of cannabinoid receptor 1 with restricted central nervous system penetration aimed for treatment... Plowright AT, Nilsson K, Antonsson M, Amin K, Broddefalk J, Jensen J, Lehmann A, Jin S, St-Onge S, Tomaszewski MJ, Tremblay M, Walpole C, Wei Z, Yang H, Ulander J.: Discovery of agonists of cannabinoid receptor 1 with restricted central nervous system penetration aimed for treatment of gastroesophageal reflux disease. J Med Chem, Volume 56 (1), 2013 J Med Chem 2013 23227781
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Pochini L, Seidita A, Sensi C, Scalise M, Eberini I,...
Pochini L, Seidita A, Sensi C, Scalise M, Eberini I, Indiveri C.
Nimesulide binding site in the B0AT1 (SLC6A19) amino acid transporter. Mechanism of inhibition revealed by... Pochini L, Seidita A, Sensi C, Scalise M, Eberini I, Indiveri C.: Nimesulide binding site in the B0AT1 (SLC6A19) amino acid transporter. Mechanism of inhibition revealed by proteoliposome transport assay and molecular modelling. Biochem Pharmacol, Volume 89 (3), 2014 Biochem Pharmacol 2014 24704252
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Poddutoori R, Aardalen K, Aithal K, Barahagar SS, Belliappa...
Poddutoori R, Aardalen K, Aithal K, Barahagar SS, Belliappa C, Bock M, Chelur S, Gerken A, Gopinath S, Gruenenfelder B, Kiffe M, Krishnaswami M, Langowski J, Madapa S, Narayanan K, Pandit C, Panigrahi SK, Perrone M, Potakamuri RK, Ramachandra M, Ramanathan A, Ramos R, Sager E, Samajdar S, Subramanya HS, Thimmasandra DS, Venetsanakos E, Möbitz H.
Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action. Poddutoori R, Aardalen K, Aithal K, Barahagar SS, Belliappa C, Bock M, Chelur S, Gerken A, Gopinath S, Gruenenfelder B, Kiffe M, Krishnaswami M, Langowski J, Madapa S, Narayanan K, Pandit C, Panigrahi SK, Perrone M, Potakamuri RK, Ramachandra M, Ramanathan A, Ramos R, Sager E, Samajdar S, Subramanya HS, Thimmasandra DS, Venetsanakos E, Möbitz H.: Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action. J Med Chem, Volume 65 (5), 2022 J Med Chem 2022 35195996
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Pohl EE, Voltchenko AM, Rupprecht A.
Pohl EE, Voltchenko AM, Rupprecht A.
Flip-flop of hydroxy fatty acids across the membrane as monitored by proton-sensitive microelectrodes. Pohl EE, Voltchenko AM, Rupprecht A.: Flip-flop of hydroxy fatty acids across the membrane as monitored by proton-sensitive microelectrodes. Biochim Biophys Acta, Volume 1778 (5), 2008 Biochim Biophys Acta 2008 18313391
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Pohl P, Rokitskaya TI, Pohl EE, Saparov SM.
Pohl P, Rokitskaya TI, Pohl EE, Saparov SM.
Permeation of phloretin across bilayer lipid membranes monitored by dipole potential and microelectrode measurements. Pohl P, Rokitskaya TI, Pohl EE, Saparov SM.: Permeation of phloretin across bilayer lipid membranes monitored by dipole potential and microelectrode measurements. Biochim Biophys Acta, Volume 1323 (2), 1997 Biochim Biophys Acta 1997 9042340
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Policarpo RL, Decultot L, May E, Kuzmič P, Carlson S,...
Policarpo RL, Decultot L, May E, Kuzmič P, Carlson S, Huang D, Chu V, Wright BA, Dhakshinamoorthy S, Kannt A, Rani S, Dittakavi S, Panarese JD, Gaudet R, Shair MD.
High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT). Policarpo RL, Decultot L, May E, Kuzmič P, Carlson S, Huang D, Chu V, Wright BA, Dhakshinamoorthy S, Kannt A, Rani S, Dittakavi S, Panarese JD, Gaudet R, Shair MD.: High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT). J Med Chem, Volume 62 (21), 2019 J Med Chem 2019 31589440
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Polucci P, Magnaghi P, Angiolini M, Asa D, Avanzi N, Badari...
Polucci P, Magnaghi P, Angiolini M, Asa D, Avanzi N, Badari A, Bertrand J, Casale E, Cauteruccio S, Cirla A, Cozzi L, Galvani A, Jackson PK, Liu Y, Magnuson S, Malgesini B, Nuvoloni S, Orrenius C, Sirtori FR, Riceputi L, Rizzi S, Trucchi B, O'Brien T, Isacchi A, Donati D, D'Alessio R.
Alkylsulfanyl-1,2,4-triazoles, a new class of allosteric valosine containing protein inhibitors. Synthesis and... Polucci P, Magnaghi P, Angiolini M, Asa D, Avanzi N, Badari A, Bertrand J, Casale E, Cauteruccio S, Cirla A, Cozzi L, Galvani A, Jackson PK, Liu Y, Magnuson S, Malgesini B, Nuvoloni S, Orrenius C, Sirtori FR, Riceputi L, Rizzi S, Trucchi B, O'Brien T, Isacchi A, Donati D, D'Alessio R.: Alkylsulfanyl-1,2,4-triazoles, a new class of allosteric valosine containing protein inhibitors. Synthesis and structure-activity relationships. J Med Chem, Volume 56 (2), 2013 J Med Chem 2013 23245311
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Poole RC, Halestrap AP.
Poole RC, Halestrap AP.
Transport of lactate and other monocarboxylates across mammalian plasma membranes. Poole RC, Halestrap AP.: Transport of lactate and other monocarboxylates across mammalian plasma membranes. Am J Physiol, Volume 264 (4 pt 1), 1993 Am J Physiol 1993 8476015
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
Poongavanam V, Atilaw Y, Siegel S, Giese A, Lehmann L,...
Poongavanam V, Atilaw Y, Siegel S, Giese A, Lehmann L, Meibom D, Erdelyi M, Kihlberg J.
Linker-Dependent Folding Rationalizes PROTAC Cell Permeability. Poongavanam V, Atilaw Y, Siegel S, Giese A, Lehmann L, Meibom D, Erdelyi M, Kihlberg J.: Linker-Dependent Folding Rationalizes PROTAC Cell Permeability. J Med Chem, Volume 65 (19), 2022 J Med Chem 2022 36170570
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Popovici-Muller J, Lemieux RM, Artin E, Saunders JO,...
Popovici-Muller J, Lemieux RM, Artin E, Saunders JO, Salituro FG, Travins J, Cianchetta G, Cai Z, Zhou D, Cui D, Chen P, Straley K, Tobin E, Wang F, David MD, Penard-Lacronique V, Quivoron C, Saada V, de Botton S, Gross S, Dang L, Yang H, Utley L, Chen Y, Kim H, Jin S, Gu Z, Yao G, Luo Z, Lv X, Fang C, Yan L, Olaharski A, Silverman L, Biller S, Su SM, Yen K.
Discovery of AG-120 (Ivosidenib): A First-in-Class Mutant IDH1 Inhibitor for the Treatment of IDH1 Mutant Cancers. Popovici-Muller J, Lemieux RM, Artin E, Saunders JO, Salituro FG, Travins J, Cianchetta G, Cai Z, Zhou D, Cui D, Chen P, Straley K, Tobin E, Wang F, David MD, Penard-Lacronique V, Quivoron C, Saada V, de Botton S, Gross S, Dang L, Yang H, Utley L, Chen Y, Kim H, Jin S, Gu Z, Yao G, Luo Z, Lv X, Fang C, Yan L, Olaharski A, Silverman L, Biller S, Su SM, Yen K.: Discovery of AG-120 (Ivosidenib): A First-in-Class Mutant IDH1 Inhibitor for the Treatment of IDH1 Mutant Cancers. ACS Med Chem Lett, Volume 9 (4), 2018 ACS Med Chem Lett 2018 29670690
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Porcal W, Hernández P, González M, Ferreira A, Olea-Azar...
Porcal W, Hernández P, González M, Ferreira A, Olea-Azar C, Cerecetto H, Castro A.
Heteroarylnitrones as drugs for neurodegenerative diseases: synthesis, neuroprotective properties, and free radical... Porcal W, Hernández P, González M, Ferreira A, Olea-Azar C, Cerecetto H, Castro A.: Heteroarylnitrones as drugs for neurodegenerative diseases: synthesis, neuroprotective properties, and free radical scavenger properties. J Med Chem, Volume 51 (19), 2008 J Med Chem 2008 18788732
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Porcelloni M, D'Andrea P, Altamura M, Catalioto RM,...
Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.
Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor... Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008 Bioorg Med Chem Lett 2008 18640835
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Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van...
Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.
Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007 Bioorg Med Chem 2007 17574423
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Powell NA, Clay EH, Holsworth DD, Bryant JW, Ryan MJ,...
Powell NA, Clay EH, Holsworth DD, Bryant JW, Ryan MJ, Jalaie M, Edmunds JJ.
Benzyl ether structure-activity relationships in a series of ketopiperazine-based renin inhibitors. Powell NA, Clay EH, Holsworth DD, Bryant JW, Ryan MJ, Jalaie M, Edmunds JJ.: Benzyl ether structure-activity relationships in a series of ketopiperazine-based renin inhibitors. Bioorg Med Chem Lett, Volume 15 (21), 2005 Bioorg Med Chem Lett 2005 16143527
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Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng...
Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.
Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013 Bioorg Med Chem Lett 2013 23312943
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Powell NA, Kohrt JT, Filipski KJ, Kaufman M, Sheehan D,...
Powell NA, Kohrt JT, Filipski KJ, Kaufman M, Sheehan D, Edmunds JE, Delaney A, Wang Y, Bourbonais F, Lee DY, Schwende F, Sun F, McConnell P, Catana C, Chen H, Ohren J, Perrin LA.
Novel and selective spiroindoline-based inhibitors of Sky kinase. Powell NA, Kohrt JT, Filipski KJ, Kaufman M, Sheehan D, Edmunds JE, Delaney A, Wang Y, Bourbonais F, Lee DY, Schwende F, Sun F, McConnell P, Catana C, Chen H, Ohren J, Perrin LA.: Novel and selective spiroindoline-based inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22119469
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Poznansky M, Tong S, White PC, Milgram JM, Solomon AK.
Poznansky M, Tong S, White PC, Milgram JM, Solomon AK.
Nonelectrolyte diffusion across lipid bilayer systems. Poznansky M, Tong S, White PC, Milgram JM, Solomon AK.: Nonelectrolyte diffusion across lipid bilayer systems. J Gen Physiol, Volume 67 (1), 1976 J Gen Physiol 1976 1245835
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Prashad AS, Wang D, Subrath J, Wu B, Lin M, Zhang MY, Kagan...
Prashad AS, Wang D, Subrath J, Wu B, Lin M, Zhang MY, Kagan N, Lee J, Yang X, Brennan A, Chaudhary D, Xu X, Leung L, Wang J, Boschelli DH.
C-5 substituted heteroaryl-3-pyridinecarbonitriles as PKCtheta inhibitors: part II. Prashad AS, Wang D, Subrath J, Wu B, Lin M, Zhang MY, Kagan N, Lee J, Yang X, Brennan A, Chaudhary D, Xu X, Leung L, Wang J, Boschelli DH.: C-5 substituted heteroaryl-3-pyridinecarbonitriles as PKCtheta inhibitors: part II. Bioorg Med Chem Lett, Volume 19 (19), 2009 Bioorg Med Chem Lett 2009 19703774
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Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C,...
Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.
Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012 J Med Chem 2012 22889281
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Preuss J, Maloney P, Peddibhotla S, Hedrick MP, Hershberger...
Preuss J, Maloney P, Peddibhotla S, Hedrick MP, Hershberger P, Gosalia P, Milewski M, Li YL, Sugarman E, Hood B, Suyama E, Nguyen K, Vasile S, Sergienko E, Mangravita-Novo A, Vicchiarelli M, McAnally D, Smith LH, Roth GP, Diwan J, Chung TD, Jortzik E, Rahlfs S, Becker K, Pinkerton AB, Bode L.
Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor... Preuss J, Maloney P, Peddibhotla S, Hedrick MP, Hershberger P, Gosalia P, Milewski M, Li YL, Sugarman E, Hood B, Suyama E, Nguyen K, Vasile S, Sergienko E, Mangravita-Novo A, Vicchiarelli M, McAnally D, Smith LH, Roth GP, Diwan J, Chung TD, Jortzik E, Rahlfs S, Becker K, Pinkerton AB, Bode L.: Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor (R,Z)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) that reduces parasite growth in vitro. J Med Chem, Volume 55 (16), 2012 J Med Chem 2012 22813531
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Préville C, Bonaventure P, Koudriakova T, Lord B,...
Préville C, Bonaventure P, Koudriakova T, Lord B, Nepomuceno D, Rizzolio M, Mani N, Coe KJ, Ndifor A, Dugovic C, Dvorak CA, Coate H, Pippel DJ, Fitzgerald A, Allison B, Lovenberg TW, Carruthers NI, Shireman BT.
Substituted Azabicyclo[2.2.1]heptanes as Selective Orexin-1 Antagonists: Discovery of JNJ-54717793. Préville C, Bonaventure P, Koudriakova T, Lord B, Nepomuceno D, Rizzolio M, Mani N, Coe KJ, Ndifor A, Dugovic C, Dvorak CA, Coate H, Pippel DJ, Fitzgerald A, Allison B, Lovenberg TW, Carruthers NI, Shireman BT.: Substituted Azabicyclo[2.2.1]heptanes as Selective Orexin-1 Antagonists: Discovery of JNJ-54717793. ACS Med Chem Lett, Volume 11 (10), 2020 ACS Med Chem Lett 2020 33062185
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Price S, Bordogna W, Braganza R, Bull RJ, Dyke HJ, Gardan...
Price S, Bordogna W, Braganza R, Bull RJ, Dyke HJ, Gardan S, Gill M, Harris NV, Heald RA, van den Heuvel M, Lockey PM, Lloyd J, Molina AG, Roach AG, Roussel F, Sutton JM, White AB.
Identification and optimisation of a series of substituted 5-pyridin-2-yl-thiophene-2-hydroxamic acids as potent... Price S, Bordogna W, Braganza R, Bull RJ, Dyke HJ, Gardan S, Gill M, Harris NV, Heald RA, van den Heuvel M, Lockey PM, Lloyd J, Molina AG, Roach AG, Roussel F, Sutton JM, White AB.: Identification and optimisation of a series of substituted 5-pyridin-2-yl-thiophene-2-hydroxamic acids as potent histone deacetylase (HDAC) inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007 Bioorg Med Chem Lett 2007 17107790
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Priebbenow DL, Leaver DJ, Nguyen N, Cleary B, Lagiakos HR,...
Priebbenow DL, Leaver DJ, Nguyen N, Cleary B, Lagiakos HR, Sanchez J, Xue L, Huang F, Sun Y, Mujumdar P, Mudududdla R, Varghese S, Teguh S, Charman SA, White KL, Shackleford DM, Katneni K, Cuellar M, Strasser JM, Dahlin JL, Walters MA, Street IP, Monahan BJ, Jarman KE, Jousset Sabroux H, Falk H, Chung MC, Hermans SJ, Downer NL, Parker MW, Voss AK, Thomas T, Baell JB.
Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent... Priebbenow DL, Leaver DJ, Nguyen N, Cleary B, Lagiakos HR, Sanchez J, Xue L, Huang F, Sun Y, Mujumdar P, Mudududdla R, Varghese S, Teguh S, Charman SA, White KL, Shackleford DM, Katneni K, Cuellar M, Strasser JM, Dahlin JL, Walters MA, Street IP, Monahan BJ, Jarman KE, Jousset Sabroux H, Falk H, Chung MC, Hermans SJ, Downer NL, Parker MW, Voss AK, Thomas T, Baell JB.: Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J Med Chem, Volume 63 (9), 2020 J Med Chem 2020 32118427
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Priebbenow DL, Mathiew M, Shi DH, Harjani JR, Beveridge JG,...
Priebbenow DL, Mathiew M, Shi DH, Harjani JR, Beveridge JG, Chavchich M, Edstein MD, Duffy S, Avery VM, Jacobs RT, Brand S, Shackleford DM, Wang W, Zhong L, Lee G, Tay E, Barker H, Crighton E, White KL, Charman SA, De Paoli A, Creek DJ, Baell JB.
Discovery of Potent and Fast-Acting Antimalarial Bis-1,2,4-triazines. Priebbenow DL, Mathiew M, Shi DH, Harjani JR, Beveridge JG, Chavchich M, Edstein MD, Duffy S, Avery VM, Jacobs RT, Brand S, Shackleford DM, Wang W, Zhong L, Lee G, Tay E, Barker H, Crighton E, White KL, Charman SA, De Paoli A, Creek DJ, Baell JB.: Discovery of Potent and Fast-Acting Antimalarial Bis-1,2,4-triazines. J Med Chem, Volume 64 (7), 2021 J Med Chem 2021 33759519
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Prime ME, Andersen OA, Barker JJ, Brooks MA, Cheng RK,...
Prime ME, Andersen OA, Barker JJ, Brooks MA, Cheng RK, Toogood-Johnson I, Courtney SM, Brookfield FA, Yarnold CJ, Marston RW, Johnson PD, Johnsen SF, Palfrey JJ, Vaidya D, Erfan S, Ichihara O, Felicetti B, Palan S, Pedret-Dunn A, Schaertl S, Sternberger I, Ebneth A, Scheel A, Winkler D, Toledo-Sherman L, Beconi M, Macdonald D, Muñoz-Sanjuan I, Dominguez C, Wityak J.
Discovery and structure-activity relationship of potent and selective covalent inhibitors of transglutaminase 2 for... Prime ME, Andersen OA, Barker JJ, Brooks MA, Cheng RK, Toogood-Johnson I, Courtney SM, Brookfield FA, Yarnold CJ, Marston RW, Johnson PD, Johnsen SF, Palfrey JJ, Vaidya D, Erfan S, Ichihara O, Felicetti B, Palan S, Pedret-Dunn A, Schaertl S, Sternberger I, Ebneth A, Scheel A, Winkler D, Toledo-Sherman L, Beconi M, Macdonald D, Muñoz-Sanjuan I, Dominguez C, Wityak J.: Discovery and structure-activity relationship of potent and selective covalent inhibitors of transglutaminase 2 for Huntington's disease. J Med Chem, Volume 55 (3), 2012 J Med Chem 2012 22224594
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Prime ME, Brookfield FA, Courtney SM, Gaines S, Marston RW,...
Prime ME, Brookfield FA, Courtney SM, Gaines S, Marston RW, Ichihara O, Li M, Vaidya D, Williams H, Pedret-Dunn A, Reed L, Schaertl S, Toledo-Sherman L, Beconi M, Macdonald D, Muñoz-Sanjuan I, Dominguez C, Wityak J.
Irreversible 4-Aminopiperidine Transglutaminase 2 Inhibitors for Huntington's Disease. Prime ME, Brookfield FA, Courtney SM, Gaines S, Marston RW, Ichihara O, Li M, Vaidya D, Williams H, Pedret-Dunn A, Reed L, Schaertl S, Toledo-Sherman L, Beconi M, Macdonald D, Muñoz-Sanjuan I, Dominguez C, Wityak J.: Irreversible 4-Aminopiperidine Transglutaminase 2 Inhibitors for Huntington's Disease. ACS Med Chem Lett, Volume 3 (9), 2012 ACS Med Chem Lett 2012 24900540
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Prisinzano T, Greiner E, Johnson EM, Dersch CM, Marcus J,...
Prisinzano T, Greiner E, Johnson EM, Dersch CM, Marcus J, Partilla JS, Rothman RB, Jacobson AE, Rice KC.
Piperidine analogues of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine (GBR 12909): high affinity... Prisinzano T, Greiner E, Johnson EM, Dersch CM, Marcus J, Partilla JS, Rothman RB, Jacobson AE, Rice KC.: Piperidine analogues of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine (GBR 12909): high affinity ligands for the dopamine transporter. J Med Chem, Volume 45 (19), 2002 J Med Chem 2002 12213078
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Total passive interactions: 0
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Probst G, Aubele DL, Bowers S, Dressen D, Garofalo AW, Hom...
Probst G, Aubele DL, Bowers S, Dressen D, Garofalo AW, Hom RK, Konradi AW, Marugg JL, Mattson MN, Neitzel ML, Semko CM, Sham HL, Smith J, Sun M, Truong AP, Ye XM, Xu YZ, Dappen MS, Jagodzinski JJ, Keim PS, Peterson B, Latimer LH, Quincy D, Wu J, Goldbach E, Ness DK, Quinn KP, Sauer JM, Wong K, Zhang H, Zmolek W, Brigham EF, Kholodenko D, Hu K, Kwong GT, Lee M, Liao A, Motter RN, Sacayon P, Santiago P, Willits C, Bard F, Bova MP, Hemphill SS, Nguyen L, Ruslim L, Tanaka K, Tanaka P, Wallace W, Yednock TA, Basi GS.
Discovery of... Probst G, Aubele DL, Bowers S, Dressen D, Garofalo AW, Hom RK, Konradi AW, Marugg JL, Mattson MN, Neitzel ML, Semko CM, Sham HL, Smith J, Sun M, Truong AP, Ye XM, Xu YZ, Dappen MS, Jagodzinski JJ, Keim PS, Peterson B, Latimer LH, Quincy D, Wu J, Goldbach E, Ness DK, Quinn KP, Sauer JM, Wong K, Zhang H, Zmolek W, Brigham EF, Kholodenko D, Hu K, Kwong GT, Lee M, Liao A, Motter RN, Sacayon P, Santiago P, Willits C, Bard F, Bova MP, Hemphill SS, Nguyen L, Ruslim L, Tanaka K, Tanaka P, Wallace W, Yednock TA, Basi GS.: Discovery of (R)-4-cyclopropyl-7,8-difluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline (ELND006) and (R)-4-cyclopropyl-8-fluoro-5-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-4,5-dihydro-2H-pyrazolo[4,3-c]quinoline (ELND007): metabolically stable γ-secretase Inhibitors that selectively inhibit the production of amyloid-β over Notch. J Med Chem, Volume 56 (13), 2013 J Med Chem 2013 23713656
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Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D,...
Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D, Jagodzinska BM, Aquino J, Gailunas A, Truong AP, Tso L, Xu YZ, Hom RK, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Sham HL, Jagodzinski J, Toth G, Brecht E, Yao N, Pan H, Lin M, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Gauby S, Zmolek W, Quinn KP, Sauer JM.
Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D, Jagodzinska BM, Aquino J, Gailunas A, Truong AP, Tso L, Xu YZ, Hom RK, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Sham HL, Jagodzinski J, Toth G, Brecht E, Yao N, Pan H, Lin M, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Gauby S, Zmolek W, Quinn KP, Sauer JM.: Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg Med Chem Lett, Volume 20 (20), 2010 Bioorg Med Chem Lett 2010 20822903
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Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo...
Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo RA, Konradi AW, Sham HL, Quincy DA, Pan H, Yao N, Lin M, Tóth G, Artis DR, Zmolek W, Wong K, Qin A, Lorentzen C, Nakamura DF, Quinn KP, Sauer JM, Powell K, Ruslim L, Wright S, Chereau D, Ren Z, Anderson JP, Bard F, Yednock TA, Griswold-Prenner I.
Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties... Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo RA, Konradi AW, Sham HL, Quincy DA, Pan H, Yao N, Lin M, Tóth G, Artis DR, Zmolek W, Wong K, Qin A, Lorentzen C, Nakamura DF, Quinn KP, Sauer JM, Powell K, Ruslim L, Wright S, Chereau D, Ren Z, Anderson JP, Bard F, Yednock TA, Griswold-Prenner I.: Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg Med Chem Lett, Volume 21 (1), 2011 Bioorg Med Chem Lett 2011 21112785
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Procopiou PA, Barrett VJ, Bevan NJ, Biggadike K, Butchers...
Procopiou PA, Barrett VJ, Bevan NJ, Biggadike K, Butchers PR, Coe DM, Conroy R, Edney DD, Field RN, Ford AJ, Guntrip SB, Looker BE, McLay IM, Monteith MJ, Morrison VS, Mutch PJ, Richards SA, Sasse R, Smith CE.
Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating... Procopiou PA, Barrett VJ, Bevan NJ, Biggadike K, Butchers PR, Coe DM, Conroy R, Edney DD, Field RN, Ford AJ, Guntrip SB, Looker BE, McLay IM, Monteith MJ, Morrison VS, Mutch PJ, Richards SA, Sasse R, Smith CE.: Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating arylsulfonamide groups. J Med Chem, Volume 52 (8), 2009 J Med Chem 2009 19317397
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Procopiou PA, Ford AJ, Graves RH, Hall DA, Hodgson ST,...
Procopiou PA, Ford AJ, Graves RH, Hall DA, Hodgson ST, Lacroix YM, Needham D, Slack RJ.
Lead optimisation of the N1 substituent of a novel series of indazole arylsulfonamides as CCR4 antagonists and... Procopiou PA, Ford AJ, Graves RH, Hall DA, Hodgson ST, Lacroix YM, Needham D, Slack RJ.: Lead optimisation of the N1 substituent of a novel series of indazole arylsulfonamides as CCR4 antagonists and identification of a candidate for clinical investigation. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22437117
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Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S,...
Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.
Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001 J Med Chem 2001 11448224
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Provencher BA, Eshleman AJ, Johnson RA, Shi X, Kryatova O,...
Provencher BA, Eshleman AJ, Johnson RA, Shi X, Kryatova O, Nelson J, Tian J, Gonzalez M, Meltzer PC, Janowsky A.
Synthesis and Discovery of Arylpiperidinylquinazolines: New Inhibitors of the Vesicular Monoamine Transporter. Provencher BA, Eshleman AJ, Johnson RA, Shi X, Kryatova O, Nelson J, Tian J, Gonzalez M, Meltzer PC, Janowsky A.: Synthesis and Discovery of Arylpiperidinylquinazolines: New Inhibitors of the Vesicular Monoamine Transporter. J Med Chem, Volume 61 (20), 2018 J Med Chem 2018 30240563
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Total active interactions: 4
Pruitt JR, Batt DG, Wacker DA, Bostrom LL, Booker SK,...
Pruitt JR, Batt DG, Wacker DA, Bostrom LL, Booker SK, McLaughlin E, Houghton GC, Varnes JG, Christ DD, Covington M, Das AM, Davies P, Graden D, Kariv I, Orlovsky Y, Stowell NC, Vaddi KG, Wadman EA, Welch PK, Yeleswaram S, Solomon KA, Newton RC, Decicco CP, Carter PH, Ko SS.
CC chemokine receptor-3 (CCR3) antagonists: improving the selectivity of DPC168 by reducing central ring lipophilicity. Pruitt JR, Batt DG, Wacker DA, Bostrom LL, Booker SK, McLaughlin E, Houghton GC, Varnes JG, Christ DD, Covington M, Das AM, Davies P, Graden D, Kariv I, Orlovsky Y, Stowell NC, Vaddi KG, Wadman EA, Welch PK, Yeleswaram S, Solomon KA, Newton RC, Decicco CP, Carter PH, Ko SS.: CC chemokine receptor-3 (CCR3) antagonists: improving the selectivity of DPC168 by reducing central ring lipophilicity. Bioorg Med Chem Lett, Volume 17 (11), 2007 Bioorg Med Chem Lett 2007 17418570
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Pruitt JR, Pinto DJ, Galemmo RA, Alexander RS, Rossi KA,...
Pruitt JR, Pinto DJ, Galemmo RA, Alexander RS, Rossi KA, Wells BL, Drummond S, Bostrom LL, Burdick D, Bruckner R, Chen H, Smallwood A, Wong PC, Wright MR, Bai S, Luettgen JM, Knabb RM, Lam PY, Wexler RR.
Discovery of 1-(2-aminomethylphenyl)-3-trifluoromethyl-N-... Pruitt JR, Pinto DJ, Galemmo RA, Alexander RS, Rossi KA, Wells BL, Drummond S, Bostrom LL, Burdick D, Bruckner R, Chen H, Smallwood A, Wong PC, Wright MR, Bai S, Luettgen JM, Knabb RM, Lam PY, Wexler RR.: Discovery of 1-(2-aminomethylphenyl)-3-trifluoromethyl-N- [3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-4-yl]-1H-pyrazole-5-carboxyamide (DPC602), a potent, selective, and orally bioavailable factor Xa inhibitor(1). J Med Chem, Volume 46 (25), 2003 J Med Chem 2003 14640539
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Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY,...
Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY, Sanderson V, Corless M, Stobie A, Middleton DS, Foster L, Barker L, Van Der Graaf P, Stacey P, Kohl C, Coggon S, Beaumont K.
Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY, Sanderson V, Corless M, Stobie A, Middleton DS, Foster L, Barker L, Van Der Graaf P, Stacey P, Kohl C, Coggon S, Beaumont K.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Bioorg Med Chem, Volume 15 (1), 2007 Bioorg Med Chem 2007 17070062
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Pryde DC, Jones R, Middleton DS, Laverty BJ, Fenwick DR,...
Pryde DC, Jones R, Middleton DS, Laverty BJ, Fenwick DR, Mason HJ, Corless M, Smith NN.
An in situ oxidation strategy towards overcoming hERG affinity. Pryde DC, Jones R, Middleton DS, Laverty BJ, Fenwick DR, Mason HJ, Corless M, Smith NN.: An in situ oxidation strategy towards overcoming hERG affinity. Bioorg Med Chem Lett, Volume 20 (22), 2010 Bioorg Med Chem Lett 2010 20934332
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Pryde DC, Maw GN, Planken S, Platts MY, Sanderson V,...
Pryde DC, Maw GN, Planken S, Platts MY, Sanderson V, Corless M, Stobie A, Barber CG, Russell R, Foster L, Barker L, Wayman C, Van Der Graaf P, Stacey P, Morren D, Kohl C, Beaumont K, Coggon S, Tute M.
Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Synthesis and... Pryde DC, Maw GN, Planken S, Platts MY, Sanderson V, Corless M, Stobie A, Barber CG, Russell R, Foster L, Barker L, Wayman C, Van Der Graaf P, Stacey P, Morren D, Kohl C, Beaumont K, Coggon S, Tute M.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Synthesis and activity of functionalized glutaramides. J Med Chem, Volume 49 (14), 2006 J Med Chem 2006 16821800
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Pryde DC, Tran TD, Gardner I, Bright H, Stupple P, Galan S,...
Pryde DC, Tran TD, Gardner I, Bright H, Stupple P, Galan S, Alsop L, Watson L, Middleton DS, Dayal S, Platts M, Murray EJ, Parkinson T, Webster R.
Non-benzimidazole containing inhibitors of respiratory syncytial virus. Pryde DC, Tran TD, Gardner I, Bright H, Stupple P, Galan S, Alsop L, Watson L, Middleton DS, Dayal S, Platts M, Murray EJ, Parkinson T, Webster R.: Non-benzimidazole containing inhibitors of respiratory syncytial virus. Bioorg Med Chem Lett, Volume 23 (3), 2013 Bioorg Med Chem Lett 2013 23265891
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Pryde DC, Tran TD, Jones P, Duckworth J, Howard M, Gardner...
Pryde DC, Tran TD, Jones P, Duckworth J, Howard M, Gardner I, Hyland R, Webster R, Wenham T, Bagal S, Omoto K, Schneider RP, Lin J.
Medicinal chemistry approaches to avoid aldehyde oxidase metabolism. Pryde DC, Tran TD, Jones P, Duckworth J, Howard M, Gardner I, Hyland R, Webster R, Wenham T, Bagal S, Omoto K, Schneider RP, Lin J.: Medicinal chemistry approaches to avoid aldehyde oxidase metabolism. Bioorg Med Chem Lett, Volume 22 (8), 2012 Bioorg Med Chem Lett 2012 22429467
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Pucci ML, Bao Y, Chan B, Itoh S, Lu R, Copeland NG, Gilbert...
Pucci ML, Bao Y, Chan B, Itoh S, Lu R, Copeland NG, Gilbert DJ, Jenkins NA, Schuster VL.
Cloning of mouse prostaglandin transporter PGT cDNA: species-specific substrate affinities. Pucci ML, Bao Y, Chan B, Itoh S, Lu R, Copeland NG, Gilbert DJ, Jenkins NA, Schuster VL.: Cloning of mouse prostaglandin transporter PGT cDNA: species-specific substrate affinities. Am J Physiol, Volume 277 (3), 1999 Am J Physiol 1999 10484490
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Puleo L, Marini P, Avallone R, Zanchet M, Bandiera S,...
Puleo L, Marini P, Avallone R, Zanchet M, Bandiera S, Baroni M, Croci T.
Synthesis and pharmacological evaluation of indolinone derivatives as novel ghrelin receptor antagonists. Puleo L, Marini P, Avallone R, Zanchet M, Bandiera S, Baroni M, Croci T.: Synthesis and pharmacological evaluation of indolinone derivatives as novel ghrelin receptor antagonists. Bioorg Med Chem, Volume 20 (18), 2012 Bioorg Med Chem 2012 22901671
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Purkey HE, Robarge K, Chen J, Chen Z, Corson LB, Ding CZ,...
Purkey HE, Robarge K, Chen J, Chen Z, Corson LB, Ding CZ, DiPasquale AG, Dragovich PS, Eigenbrot C, Evangelista M, Fauber BP, Gao Z, Ge H, Hitz A, Ho Q, Labadie SS, Lai KW, Liu W, Liu Y, Li C, Ma S, Malek S, O'Brien T, Pang J, Peterson D, Salphati L, Sideris S, Ultsch M, Wei B, Yen I, Yue Q, Zhang H, Zhou A.
Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Purkey HE, Robarge K, Chen J, Chen Z, Corson LB, Ding CZ, DiPasquale AG, Dragovich PS, Eigenbrot C, Evangelista M, Fauber BP, Gao Z, Ge H, Hitz A, Ho Q, Labadie SS, Lai KW, Liu W, Liu Y, Li C, Ma S, Malek S, O'Brien T, Pang J, Peterson D, Salphati L, Sideris S, Ultsch M, Wei B, Yen I, Yue Q, Zhang H, Zhou A.: Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. ACS Med Chem Lett, Volume 7 (10), 2016 ACS Med Chem Lett 2016 27774125
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Putapatri SR, Kanwal A, Banerjee SK, Kantevari S.
Putapatri SR, Kanwal A, Banerjee SK, Kantevari S.
Synthesis of novel l-rhamnose derived acyclic C-nucleosides with substituted 1,2,3-triazole core as potent... Putapatri SR, Kanwal A, Banerjee SK, Kantevari S.: Synthesis of novel l-rhamnose derived acyclic C-nucleosides with substituted 1,2,3-triazole core as potent sodium-glucose co-transporter (SGLT) inhibitors. Bioorg Med Chem Lett, Volume 24 (6), 2014 Bioorg Med Chem Lett 2014 24556379
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Pyrshev KA, Yesylevskyy SO, Mély Y, Demchenko AP,...
Pyrshev KA, Yesylevskyy SO, Mély Y, Demchenko AP, Klymchenko AS.
Caspase-3 activation decreases lipid order in the outer plasma membrane leaflet during apoptosis: A fluorescent probe... Pyrshev KA, Yesylevskyy SO, Mély Y, Demchenko AP, Klymchenko AS.: Caspase-3 activation decreases lipid order in the outer plasma membrane leaflet during apoptosis: A fluorescent probe study. Biochim Biophys Acta Biomembr, Volume 1859 (10), 2123-2132, 2017 Biochim Biophys Acta Biomembr 2017 28784460
Total substances: 1
Total passive interactions: 2
Total active interactions: 0
Qi Q, Obianyo O, Du Y, Fu H, Li S, Ye K.
Qi Q, Obianyo O, Du Y, Fu H, Li S, Ye K.
Blockade of Asparagine Endopeptidase Inhibits Cancer Metastasis. Qi Q, Obianyo O, Du Y, Fu H, Li S, Ye K.: Blockade of Asparagine Endopeptidase Inhibits Cancer Metastasis. J Med Chem, Volume 60 (17), 2017 J Med Chem 2017 28820254
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Qian K, Wang L, Cywin CL, Farmer BT, Hickey E, Homon C,...
Qian K, Wang L, Cywin CL, Farmer BT, Hickey E, Homon C, Jakes S, Kashem MA, Lee G, Leonard S, Li J, Magboo R, Mao W, Pack E, Peng C, Prokopowicz A, Welzel M, Wolak J, Morwick T.
Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing... Qian K, Wang L, Cywin CL, Farmer BT, Hickey E, Homon C, Jakes S, Kashem MA, Lee G, Leonard S, Li J, Magboo R, Mao W, Pack E, Peng C, Prokopowicz A, Welzel M, Wolak J, Morwick T.: Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode. J Med Chem, Volume 52 (7), 2009 J Med Chem 2009 19256503
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Qian Y, Ahmad M, Chen S, Gillespie P, Le N, Mennona F,...
Qian Y, Ahmad M, Chen S, Gillespie P, Le N, Mennona F, Mischke S, So SS, Wang H, Burghardt C, Tannu S, Conde-Knape K, Kochan J, Bolin D.
Discovery of 1-arylcarbonyl-6,7-dimethoxyisoquinoline derivatives as glutamine fructose-6-phosphate amidotransferase... Qian Y, Ahmad M, Chen S, Gillespie P, Le N, Mennona F, Mischke S, So SS, Wang H, Burghardt C, Tannu S, Conde-Knape K, Kochan J, Bolin D.: Discovery of 1-arylcarbonyl-6,7-dimethoxyisoquinoline derivatives as glutamine fructose-6-phosphate amidotransferase (GFAT) inhibitors. Bioorg Med Chem Lett, Volume 21 (21), 2011 Bioorg Med Chem Lett 2011 21958546
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Qian Y, Corbett WL, Berthel SJ, Choi DS, Dvorozniak MT,...
Qian Y, Corbett WL, Berthel SJ, Choi DS, Dvorozniak MT, Geng W, Gillespie P, Guertin KR, Haynes NE, Kester RF, Mennona FA, Moore D, Racha J, Radinov R, Sarabu R, Scott NR, Grimsby J, Mallalieu NL.
Identification of RO4597014, a Glucokinase Activator Studied in the Clinic for the Treatment of Type 2 Diabetes. Qian Y, Corbett WL, Berthel SJ, Choi DS, Dvorozniak MT, Geng W, Gillespie P, Guertin KR, Haynes NE, Kester RF, Mennona FA, Moore D, Racha J, Radinov R, Sarabu R, Scott NR, Grimsby J, Mallalieu NL.: Identification of RO4597014, a Glucokinase Activator Studied in the Clinic for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (4), 2013 ACS Med Chem Lett 2013 24900686
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Qian Y, Wertheimer SJ, Ahmad M, Cheung AW, Firooznia F,...
Qian Y, Wertheimer SJ, Ahmad M, Cheung AW, Firooznia F, Hamilton MM, Hayden S, Li S, Marcopulos N, McDermott L, Tan J, Yun W, Guo L, Pamidimukkala A, Chen Y, Huang KS, Ramsey GB, Whittard T, Conde-Knape K, Taub R, Rondinone CM, Tilley J, Bolin D.
Discovery of orally active carboxylic acid derivatives of 2-phenyl-5-trifluoromethyloxazole-4-carboxamide as potent... Qian Y, Wertheimer SJ, Ahmad M, Cheung AW, Firooznia F, Hamilton MM, Hayden S, Li S, Marcopulos N, McDermott L, Tan J, Yun W, Guo L, Pamidimukkala A, Chen Y, Huang KS, Ramsey GB, Whittard T, Conde-Knape K, Taub R, Rondinone CM, Tilley J, Bolin D.: Discovery of orally active carboxylic acid derivatives of 2-phenyl-5-trifluoromethyloxazole-4-carboxamide as potent diacylglycerol acyltransferase-1 inhibitors for the potential treatment of obesity and diabetes. J Med Chem, Volume 54 (7), 2011 J Med Chem 2011 21413799
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Qian YM, Song WC, Cui H, Cole SP, Deeley RG.
Qian YM, Song WC, Cui H, Cole SP, Deeley RG.
Glutathione stimulates sulfated estrogen transport by multidrug resistance protein 1. Qian YM, Song WC, Cui H, Cole SP, Deeley RG.: Glutathione stimulates sulfated estrogen transport by multidrug resistance protein 1. J Biol Chem, Volume 276 (9), 2001 J Biol Chem 2001 11102445
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z,...
Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.
DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with... Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017 Bioorg Med Chem Lett 2017 28131710
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Qiao JX, Cheney DL, Alexander RS, Smallwood AM, King SR, He...
Qiao JX, Cheney DL, Alexander RS, Smallwood AM, King SR, He K, Rendina AR, Luettgen JM, Knabb RM, Wexler RR, Lam PY.
Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic... Qiao JX, Cheney DL, Alexander RS, Smallwood AM, King SR, He K, Rendina AR, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa. Bioorg Med Chem Lett, Volume 18 (14), 2008 Bioorg Med Chem Lett 2008 18550370
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Qiao JX, Cheng X, Smallheer JM, Galemmo RA, Drummond S,...
Qiao JX, Cheng X, Smallheer JM, Galemmo RA, Drummond S, Pinto DJ, Cheney DL, He K, Wong PC, Luettgen JM, Knabb RM, Wexler RR, Lam PY.
Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Qiao JX, Cheng X, Smallheer JM, Galemmo RA, Drummond S, Pinto DJ, Cheney DL, He K, Wong PC, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Bioorg Med Chem Lett, Volume 17 (5), 2007 Bioorg Med Chem Lett 2007 17174550
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Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM,...
Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.
Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009 Bioorg Med Chem Lett 2009 19046881
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Qiao JX, Wang TC, Wang GZ, Cheney DL, He K, Rendina AR, Xin...
Qiao JX, Wang TC, Wang GZ, Cheney DL, He K, Rendina AR, Xin B, Luettgen JM, Knabb RM, Wexler RR, Lam PY.
Enantiopure five-membered cyclicdiamine derivatives as potent and selective inhibitors of factor Xa. Improving in vitro... Qiao JX, Wang TC, Wang GZ, Cheney DL, He K, Rendina AR, Xin B, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Enantiopure five-membered cyclicdiamine derivatives as potent and selective inhibitors of factor Xa. Improving in vitro metabolic stability via core modifications. Bioorg Med Chem Lett, Volume 17 (18), 2007 Bioorg Med Chem Lett 2007 17643988
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Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino...
Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.
Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006 Bioorg Med Chem Lett 2006 16236500
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Qin N, Neeper MP, Liu Y, Hutchinson TL, Lubin ML, Flores CM.
Qin N, Neeper MP, Liu Y, Hutchinson TL, Lubin ML, Flores CM.
TRPV2 is activated by cannabidiol and mediates CGRP release in cultured rat dorsal root ganglion neurons. Qin N, Neeper MP, Liu Y, Hutchinson TL, Lubin ML, Flores CM.: TRPV2 is activated by cannabidiol and mediates CGRP release in cultured rat dorsal root ganglion neurons. J Neurosci, Volume 28 (24), 2008 J Neurosci 2008 18550765
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Qiu H, Liu-Bujalski L, Caldwell RD, Follis AV, Gardberg A,...
Qiu H, Liu-Bujalski L, Caldwell RD, Follis AV, Gardberg A, Goutopoulos A, Grenningloh R, Head J, Johnson T, Jones R, Mochalkin I, Morandi F, Neagu C, Sherer B.
Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Qiu H, Liu-Bujalski L, Caldwell RD, Follis AV, Gardberg A, Goutopoulos A, Grenningloh R, Head J, Johnson T, Jones R, Mochalkin I, Morandi F, Neagu C, Sherer B.: Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg Med Chem Lett, Volume 28 (17), 2018 Bioorg Med Chem Lett 2018 30122225
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Qiu H, Liu-Bujalski L, Caldwell RD, Viacava Follis A,...
Qiu H, Liu-Bujalski L, Caldwell RD, Viacava Follis A, Gardberg A, Goutopoulos A, Grenningloh R, Head J, Johnson T, Jones CCV, Jones R, Mochalkin I, Morandi F, Neagu C, Potnick J, Sherer B.
Optimization of the efflux ratio and permeability of covalent irreversible BTK inhibitors. Qiu H, Liu-Bujalski L, Caldwell RD, Viacava Follis A, Gardberg A, Goutopoulos A, Grenningloh R, Head J, Johnson T, Jones CCV, Jones R, Mochalkin I, Morandi F, Neagu C, Potnick J, Sherer B.: Optimization of the efflux ratio and permeability of covalent irreversible BTK inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018 Bioorg Med Chem Lett 2018 30243592
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Qiu Z, Lin X, Zhang W, Zhou M, Guo L, Kocer B, Wu G, Zhang...
Qiu Z, Lin X, Zhang W, Zhou M, Guo L, Kocer B, Wu G, Zhang Z, Liu H, Shi H, Kou B, Hu T, Hu Y, Huang M, Yan SF, Xu Z, Zhou Z, Qin N, Wang YF, Ren S, Qiu H, Zhang Y, Zhang Y, Wu X, Sun K, Zhong S, Xie J, Ottaviani G, Zhou Y, Zhu L, Tian X, Shi L, Shen F, Mao Y, Zhou X, Gao L, Young JAT, Wu JZ, Yang G, Mayweg AV, Shen HC, Tang G, Zhu W.
Discovery and Pre-Clinical Characterization of Third-Generation 4-H Heteroaryldihydropyrimidine (HAP) Analogues as... Qiu Z, Lin X, Zhang W, Zhou M, Guo L, Kocer B, Wu G, Zhang Z, Liu H, Shi H, Kou B, Hu T, Hu Y, Huang M, Yan SF, Xu Z, Zhou Z, Qin N, Wang YF, Ren S, Qiu H, Zhang Y, Zhang Y, Wu X, Sun K, Zhong S, Xie J, Ottaviani G, Zhou Y, Zhu L, Tian X, Shi L, Shen F, Mao Y, Zhou X, Gao L, Young JAT, Wu JZ, Yang G, Mayweg AV, Shen HC, Tang G, Zhu W.: Discovery and Pre-Clinical Characterization of Third-Generation 4-H Heteroaryldihydropyrimidine (HAP) Analogues as Hepatitis B Virus (HBV) Capsid Inhibitors. J Med Chem, Volume 60 (8), 2017 J Med Chem 2017 28339215
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Qiu Z, Lin X, Zhou M, Liu Y, Zhu W, Chen W, Zhang W, Guo L,...
Qiu Z, Lin X, Zhou M, Liu Y, Zhu W, Chen W, Zhang W, Guo L, Liu H, Wu G, Huang M, Jiang M, Xu Z, Zhou Z, Qin N, Ren S, Qiu H, Zhong S, Zhang Y, Zhang Y, Wu X, Shi L, Shen F, Mao Y, Zhou X, Yang W, Wu JZ, Yang G, Mayweg AV, Shen HC, Tang G.
Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid... Qiu Z, Lin X, Zhou M, Liu Y, Zhu W, Chen W, Zhang W, Guo L, Liu H, Wu G, Huang M, Jiang M, Xu Z, Zhou Z, Qin N, Ren S, Qiu H, Zhong S, Zhang Y, Zhang Y, Wu X, Shi L, Shen F, Mao Y, Zhou X, Yang W, Wu JZ, Yang G, Mayweg AV, Shen HC, Tang G.: Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors. J Med Chem, Volume 59 (16), 2016 J Med Chem 2016 27458651
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Quadri L, Bianchi G, Cerri A, Fedrizzi G, Ferrari P,...
Quadri L, Bianchi G, Cerri A, Fedrizzi G, Ferrari P, Gobbini M, Melloni P, Sputore S, Torri M.
17 beta-(3-furyl)-5 beta-androstane-3 beta, 14 beta, 17 alpha-triol (PST 2238). A very potent antihypertensive agent... Quadri L, Bianchi G, Cerri A, Fedrizzi G, Ferrari P, Gobbini M, Melloni P, Sputore S, Torri M.: 17 beta-(3-furyl)-5 beta-androstane-3 beta, 14 beta, 17 alpha-triol (PST 2238). A very potent antihypertensive agent with a novel mechanism of action. J Med Chem, Volume 40 (11), 1997 J Med Chem 1997 9171865
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Total passive interactions: 0
Total active interactions: 2
Quan ML, Han Q, Fevig JM, Lam PY, Bai S, Knabb RM, Luettgen...
Quan ML, Han Q, Fevig JM, Lam PY, Bai S, Knabb RM, Luettgen JM, Wong PC, Wexler RR.
Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Quan ML, Han Q, Fevig JM, Lam PY, Bai S, Knabb RM, Luettgen JM, Wong PC, Wexler RR.: Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett, Volume 16 (7), 2006 Bioorg Med Chem Lett 2006 16434195
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Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD,...
Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.
Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4-... Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem, Volume 48 (6), 2005 J Med Chem 2005 15771420
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Quancard J, Simic O, Pissot Soldermann C, Aichholz R,...
Quancard J, Simic O, Pissot Soldermann C, Aichholz R, Blatter M, Renatus M, Erbel P, Melkko S, Endres R, Sorge M, Kieffer L, Wagner T, Beltz K, Mcsheehy P, Wartmann M, Régnier CH, Calzascia T, Radimerski T, Bigaud M, Weiss A, Bornancin F, Schlapbach A.
Optimization of the In Vivo Potency of Pyrazolopyrimidine MALT1 Protease Inhibitors by Reducing Metabolism and... Quancard J, Simic O, Pissot Soldermann C, Aichholz R, Blatter M, Renatus M, Erbel P, Melkko S, Endres R, Sorge M, Kieffer L, Wagner T, Beltz K, Mcsheehy P, Wartmann M, Régnier CH, Calzascia T, Radimerski T, Bigaud M, Weiss A, Bornancin F, Schlapbach A.: Optimization of the In Vivo Potency of Pyrazolopyrimidine MALT1 Protease Inhibitors by Reducing Metabolism and Increasing Potency in Whole Blood. J Med Chem, Volume 63 (23), 2020 J Med Chem 2020 33216547
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Quanz M, Bender E, Kopitz C, Grünewald S, Schlicker A,...
Quanz M, Bender E, Kopitz C, Grünewald S, Schlicker A, Schwede W, Eheim A, Toschi L, Neuhaus R, Richter C, Toedling J, Merz C, Lesche R, Kamburov A, Siebeneicher H, Bauser M, Hägebarth A.
Preclinical Efficacy of the Novel Monocarboxylate Transporter 1 Inhibitor BAY-8002 and Associated Markers of Resistance. Quanz M, Bender E, Kopitz C, Grünewald S, Schlicker A, Schwede W, Eheim A, Toschi L, Neuhaus R, Richter C, Toedling J, Merz C, Lesche R, Kamburov A, Siebeneicher H, Bauser M, Hägebarth A.: Preclinical Efficacy of the Novel Monocarboxylate Transporter 1 Inhibitor BAY-8002 and Associated Markers of Resistance. Mol Cancer Ther, Volume 17 (11), 2018 Mol Cancer Ther 2018 30115664
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Total active interactions: 1
R MM, Shandil R, Panda M, Sadler C, Ambady A, Panduga V,...
R MM, Shandil R, Panda M, Sadler C, Ambady A, Panduga V, Kumar N, Mahadevaswamy J, Sreenivasaiah M, Narayan A, Guptha S, Sharma S, Sambandamurthy VK, Ramachandran V, Mallya M, Cooper C, Mdluli K, Butler S, Tommasi R, Iyer PS, Narayanan S, Chatterji M, Shirude PS.
Scaffold Morphing To Identify Novel DprE1 Inhibitors with Antimycobacterial Activity. R MM, Shandil R, Panda M, Sadler C, Ambady A, Panduga V, Kumar N, Mahadevaswamy J, Sreenivasaiah M, Narayan A, Guptha S, Sharma S, Sambandamurthy VK, Ramachandran V, Mallya M, Cooper C, Mdluli K, Butler S, Tommasi R, Iyer PS, Narayanan S, Chatterji M, Shirude PS.: Scaffold Morphing To Identify Novel DprE1 Inhibitors with Antimycobacterial Activity. ACS Med Chem Lett, Volume 10 (10), 2019 ACS Med Chem Lett 2019 31620237
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Rabal O, San José-Enériz E, Agirre X, Sánchez-Arias JA,...
Rabal O, San José-Enériz E, Agirre X, Sánchez-Arias JA, de Miguel I, Ordoñez R, Garate L, Miranda E, Sáez E, Vilas-Zornoza A, Pineda-Lucena A, Estella A, Zhang F, Wu W, Xu M, Prosper F, Oyarzabal J.
Design and Synthesis of Novel Epigenetic Inhibitors Targeting Histone Deacetylases, DNA Methyltransferase 1, and Lysine... Rabal O, San José-Enériz E, Agirre X, Sánchez-Arias JA, de Miguel I, Ordoñez R, Garate L, Miranda E, Sáez E, Vilas-Zornoza A, Pineda-Lucena A, Estella A, Zhang F, Wu W, Xu M, Prosper F, Oyarzabal J.: Design and Synthesis of Novel Epigenetic Inhibitors Targeting Histone Deacetylases, DNA Methyltransferase 1, and Lysine Methyltransferase G9a with In Vivo Efficacy in Multiple Myeloma. J Med Chem, Volume 64 (6), 2021 J Med Chem 2021 33661013
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Rabal O, San José-Enériz E, Agirre X, Sánchez-Arias JA,...
Rabal O, San José-Enériz E, Agirre X, Sánchez-Arias JA, Vilas-Zornoza A, Ugarte A, de Miguel I, Miranda E, Garate L, Fraga M, Santamarina P, Fernandez Perez R, Ordoñez R, Sáez E, Roa S, García-Barchino MJ, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.
Discovery of Reversible DNA Methyltransferase and Lysine Methyltransferase G9a Inhibitors with Antitumoral in Vivo... Rabal O, San José-Enériz E, Agirre X, Sánchez-Arias JA, Vilas-Zornoza A, Ugarte A, de Miguel I, Miranda E, Garate L, Fraga M, Santamarina P, Fernandez Perez R, Ordoñez R, Sáez E, Roa S, García-Barchino MJ, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Discovery of Reversible DNA Methyltransferase and Lysine Methyltransferase G9a Inhibitors with Antitumoral in Vivo Efficacy. J Med Chem, Volume 61 (15), 2018 J Med Chem 2018 29953809
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Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel...
Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.
Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and... Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016 J Med Chem 2016 27606546
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Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel...
Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.
Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone... Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018 Eur J Med Chem 2018 29549837
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Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X,...
Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.
Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA... Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018 J Med Chem 2018 29890830
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Raboisson P, de Kock H, Rosenquist A, Nilsson M,...
Raboisson P, de Kock H, Rosenquist A, Nilsson M, Salvador-Oden L, Lin TI, Roue N, Ivanov V, Wähling H, Wickström K, Hamelink E, Edlund M, Vrang L, Vendeville S, Van de Vreken W, McGowan D, Tahri A, Hu L, Boutton C, Lenz O, Delouvroy F, Pille G, Surleraux D, Wigerinck P, Samuelsson B, Simmen K.
Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the... Raboisson P, de Kock H, Rosenquist A, Nilsson M, Salvador-Oden L, Lin TI, Roue N, Ivanov V, Wähling H, Wickström K, Hamelink E, Edlund M, Vrang L, Vendeville S, Van de Vreken W, McGowan D, Tahri A, Hu L, Boutton C, Lenz O, Delouvroy F, Pille G, Surleraux D, Wigerinck P, Samuelsson B, Simmen K.: Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett, Volume 18 (17), 2008 Bioorg Med Chem Lett 2008 18678486
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Raboisson P, Desjarlais RL, Reed R, Lattanze J, Chaikin M,...
Raboisson P, Desjarlais RL, Reed R, Lattanze J, Chaikin M, Manthey CL, Tomczuk BE, Marugán JJ.
Identification of novel short chain 4-substituted indoles as potent alphavbeta3 antagonist using structure-based drug... Raboisson P, Desjarlais RL, Reed R, Lattanze J, Chaikin M, Manthey CL, Tomczuk BE, Marugán JJ.: Identification of novel short chain 4-substituted indoles as potent alphavbeta3 antagonist using structure-based drug design. Eur J Med Chem, Volume 42 (3), 2007 Eur J Med Chem 2007 17184884
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Raboisson P, Lin TI, Kock Hd, Vendeville S, Vreken WV,...
Raboisson P, Lin TI, Kock Hd, Vendeville S, Vreken WV, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Surleraux D, Wigerinck P, Nilsson M, Rosenquist S, Samuelsson B, Simmen K.
Discovery of novel potent and selective dipeptide hepatitis C virus NS3/4A serine protease inhibitors. Raboisson P, Lin TI, Kock Hd, Vendeville S, Vreken WV, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Surleraux D, Wigerinck P, Nilsson M, Rosenquist S, Samuelsson B, Simmen K.: Discovery of novel potent and selective dipeptide hepatitis C virus NS3/4A serine protease inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008 Bioorg Med Chem Lett 2008 18722116
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Rackelmann N, Matter H, Englert H, Follmann M, Maier T,...
Rackelmann N, Matter H, Englert H, Follmann M, Maier T, Weston J, Arndt P, Heyse W, Mertsch K, Wirth K, Bialy L.
Discovery and Optimization of 1-Phenoxy-2-aminoindanes as Potent, Selective, and Orally Bioavailable Inhibitors of the... Rackelmann N, Matter H, Englert H, Follmann M, Maier T, Weston J, Arndt P, Heyse W, Mertsch K, Wirth K, Bialy L.: Discovery and Optimization of 1-Phenoxy-2-aminoindanes as Potent, Selective, and Orally Bioavailable Inhibitors of the Na+/H+ Exchanger Type 3 (NHE3). J Med Chem, Volume 59 (19), 2016 J Med Chem 2016 27606885
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Radi M, Brullo C, Crespan E, Tintori C, Musumeci F, Biava...
Radi M, Brullo C, Crespan E, Tintori C, Musumeci F, Biava M, Schenone S, Dreassi E, Zamperini C, Maga G, Pagano D, Angelucci A, Bologna M, Botta M.
Identification of potent c-Src inhibitors strongly affecting the proliferation of human neuroblastoma cells. Radi M, Brullo C, Crespan E, Tintori C, Musumeci F, Biava M, Schenone S, Dreassi E, Zamperini C, Maga G, Pagano D, Angelucci A, Bologna M, Botta M.: Identification of potent c-Src inhibitors strongly affecting the proliferation of human neuroblastoma cells. Bioorg Med Chem Lett, Volume 21 (19), 2011 Bioorg Med Chem Lett 2011 21856155
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Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo...
Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.
Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human... Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011 J Med Chem 2011 21443205
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Radi M, Evensen L, Dreassi E, Zamperini C, Caporicci M,...
Radi M, Evensen L, Dreassi E, Zamperini C, Caporicci M, Falchi F, Musumeci F, Schenone S, Lorens JB, Botta M.
A combined targeted/phenotypic approach for the identification of new antiangiogenics agents active on a zebrafish... Radi M, Evensen L, Dreassi E, Zamperini C, Caporicci M, Falchi F, Musumeci F, Schenone S, Lorens JB, Botta M.: A combined targeted/phenotypic approach for the identification of new antiangiogenics agents active on a zebrafish model: from in silico screening to cyclodextrin formulation. Bioorg Med Chem Lett, Volume 22 (17), 2012 Bioorg Med Chem Lett 2012 22853993
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Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C,...
Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C, Dreassi E, Fallacara AL, Vignaroli G, Crespan E, Zanoli S, Laurenzana I, Filippi I, Maga G, Schenone S, Angelucci A, Botta M.
Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C, Dreassi E, Fallacara AL, Vignaroli G, Crespan E, Zanoli S, Laurenzana I, Filippi I, Maga G, Schenone S, Angelucci A, Botta M.: Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. J Med Chem, Volume 56 (13), 2013 J Med Chem 2013 23746084
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Raffel DM, Chen W.
Raffel DM, Chen W.
Binding of [3H]mazindol to cardiac norepinephrine transporters: kinetic and equilibrium studies. Raffel DM, Chen W.: Binding of [3H]mazindol to cardiac norepinephrine transporters: kinetic and equilibrium studies. Naunyn Schmiedebergs Arch Pharmacol, Volume 370 (1), 2004 Naunyn Schmiedebergs Arch Pharmacol 2004 15300361
Total substances: 1
Total passive interactions: 0
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Rafi SB, Hearn BR, Vedantham P, Jacobson MP, Renslo AR.
Rafi SB, Hearn BR, Vedantham P, Jacobson MP, Renslo AR.
Predicting and improving the membrane permeability of peptidic small molecules. Rafi SB, Hearn BR, Vedantham P, Jacobson MP, Renslo AR.: Predicting and improving the membrane permeability of peptidic small molecules. J Med Chem, Volume 55 (7), 2012 J Med Chem 2012 22394492
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Rageot D, Bohnacker T, Melone A, Langlois JB, Borsari C,...
Rageot D, Bohnacker T, Melone A, Langlois JB, Borsari C, Hillmann P, Sele AM, Beaufils F, Zvelebil M, Hebeisen P, Löscher W, Burke J, Fabbro D, Wymann MP.
Discovery and Preclinical Characterization of... Rageot D, Bohnacker T, Melone A, Langlois JB, Borsari C, Hillmann P, Sele AM, Beaufils F, Zvelebil M, Hebeisen P, Löscher W, Burke J, Fabbro D, Wymann MP.: Discovery and Preclinical Characterization of 5-[4,6-Bis({3-oxa-8-azabicyclo[3.2.1]octan-8-yl})-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine (PQR620), a Highly Potent and Selective mTORC1/2 Inhibitor for Cancer and Neurological Disorders. J Med Chem, Volume 61 (22), 2018 J Med Chem 2018 30359003
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Rahm F, Viklund J, Trésaugues L, Ellermann M, Giese A,...
Rahm F, Viklund J, Trésaugues L, Ellermann M, Giese A, Ericsson U, Forsblom R, Ginman T, Günther J, Hallberg K, Lindström J, Persson LB, Silvander C, Talagas A, Díaz-Sáez L, Fedorov O, Huber KVM, Panagakou I, Siejka P, Gorjánácz M, Bauser M, Andersson M.
Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and... Rahm F, Viklund J, Trésaugues L, Ellermann M, Giese A, Ericsson U, Forsblom R, Ginman T, Günther J, Hallberg K, Lindström J, Persson LB, Silvander C, Talagas A, Díaz-Sáez L, Fedorov O, Huber KVM, Panagakou I, Siejka P, Gorjánácz M, Bauser M, Andersson M.: Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J Med Chem, Volume 61 (6), 2018 J Med Chem 2018 29485874
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Rai G, Brimacombe KR, Mott BT, Urban DJ, Hu X, Yang SM, Lee...
Rai G, Brimacombe KR, Mott BT, Urban DJ, Hu X, Yang SM, Lee TD, Cheff DM, Kouznetsova J, Benavides GA, Pohida K, Kuenstner EJ, Luci DK, Lukacs CM, Davies DR, Dranow DM, Zhu H, Sulikowski G, Moore WJ, Stott GM, Flint AJ, Hall MD, Darley-Usmar VM, Neckers LM, Dang CV, Waterson AG, Simeonov A, Jadhav A, Maloney DJ.
Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). Rai G, Brimacombe KR, Mott BT, Urban DJ, Hu X, Yang SM, Lee TD, Cheff DM, Kouznetsova J, Benavides GA, Pohida K, Kuenstner EJ, Luci DK, Lukacs CM, Davies DR, Dranow DM, Zhu H, Sulikowski G, Moore WJ, Stott GM, Flint AJ, Hall MD, Darley-Usmar VM, Neckers LM, Dang CV, Waterson AG, Simeonov A, Jadhav A, Maloney DJ.: Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J Med Chem, Volume 60 (22), 2017 J Med Chem 2017 29120638
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Rai G, Joshi N, Jung JE, Liu Y, Schultz L, Yasgar A, Perry...
Rai G, Joshi N, Jung JE, Liu Y, Schultz L, Yasgar A, Perry S, Diaz G, Zhang Q, Kenyon V, Jadhav A, Simeonov A, Lo EH, van Leyen K, Maloney DJ, Holman TR.
Potent and selective inhibitors of human reticulocyte 12/15-lipoxygenase as anti-stroke therapies. Rai G, Joshi N, Jung JE, Liu Y, Schultz L, Yasgar A, Perry S, Diaz G, Zhang Q, Kenyon V, Jadhav A, Simeonov A, Lo EH, van Leyen K, Maloney DJ, Holman TR.: Potent and selective inhibitors of human reticulocyte 12/15-lipoxygenase as anti-stroke therapies. J Med Chem, Volume 57 (10), 2014 J Med Chem 2014 24684213
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Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H,...
Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.
Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as... Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009 J Med Chem 2009 19761212
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Rai G, Urban DJ, Mott BT, Hu X, Yang SM, Benavides GA,...
Rai G, Urban DJ, Mott BT, Hu X, Yang SM, Benavides GA, Johnson MS, Squadrito GL, Brimacombe KR, Lee TD, Lee TD, Cheff DM, Zhu H, Henderson MJ, Pohida K, Sulikowski GA, Dranow DM, Kabir M, Shah P, Padilha E, Tao D, Fang Y, Christov PP, Kim K, Jana S, Muttil P, Anderson T, Kunda NK, Hathaway HJ, Kusewitt DF, Oshima N, Cherukuri M, Davies DR, Norenberg JP, Sklar LA, Moore WJ, Dang CV, Stott GM, Neckers L, Flint AJ, Darley-Usmar VM, Simeonov A, Waterson AG, Jadhav A, Hall MD, Maloney DJ.
Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. Rai G, Urban DJ, Mott BT, Hu X, Yang SM, Benavides GA, Johnson MS, Squadrito GL, Brimacombe KR, Lee TD, Lee TD, Cheff DM, Zhu H, Henderson MJ, Pohida K, Sulikowski GA, Dranow DM, Kabir M, Shah P, Padilha E, Tao D, Fang Y, Christov PP, Kim K, Jana S, Muttil P, Anderson T, Kunda NK, Hathaway HJ, Kusewitt DF, Oshima N, Cherukuri M, Davies DR, Norenberg JP, Sklar LA, Moore WJ, Dang CV, Stott GM, Neckers L, Flint AJ, Darley-Usmar VM, Simeonov A, Waterson AG, Jadhav A, Hall MD, Maloney DJ.: Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J Med Chem, Volume 63 (19), 2020 J Med Chem 2020 32902275
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Rai G, Vyjayanti VN, Dorjsuren D, Simeonov A, Jadhav A,...
Rai G, Vyjayanti VN, Dorjsuren D, Simeonov A, Jadhav A, Wilson DM, Maloney DJ.
Synthesis, biological evaluation, and structure-activity relationships of a novel class of apurinic/apyrimidinic... Rai G, Vyjayanti VN, Dorjsuren D, Simeonov A, Jadhav A, Wilson DM, Maloney DJ.: Synthesis, biological evaluation, and structure-activity relationships of a novel class of apurinic/apyrimidinic endonuclease 1 inhibitors. J Med Chem, Volume 55 (7), 2012 J Med Chem 2012 22455312
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Rajagopalan R, Bandyopadhyaya A, Rajagopalan DR,...
Rajagopalan R, Bandyopadhyaya A, Rajagopalan DR, Rajagopalan P.
The synthesis and comparative receptor binding affinities of novel, isomeric pyridoindolobenzazepine scaffolds. Rajagopalan R, Bandyopadhyaya A, Rajagopalan DR, Rajagopalan P.: The synthesis and comparative receptor binding affinities of novel, isomeric pyridoindolobenzazepine scaffolds. Bioorg Med Chem Lett, Volume 24 (2), 2014 Bioorg Med Chem Lett 2014 24365159
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Rajnai Z, Méhn D, Beéry E, Okyar A, Jani M, Tóth GK,...
Rajnai Z, Méhn D, Beéry E, Okyar A, Jani M, Tóth GK, Fülöp F, Lévi F, Krajcsi P.
ATP-binding cassette B1 transports seliciclib (R-roscovitine), a cyclin-dependent kinase inhibitor. Rajnai Z, Méhn D, Beéry E, Okyar A, Jani M, Tóth GK, Fülöp F, Lévi F, Krajcsi P.: ATP-binding cassette B1 transports seliciclib (R-roscovitine), a cyclin-dependent kinase inhibitor. Drug Metab Dispos, Volume 38 (11), 2010 Drug Metab Dispos 2010 20699410
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Ramachandran SA, Jadhavar PS, Miglani SK, Singh MP, Kalane...
Ramachandran SA, Jadhavar PS, Miglani SK, Singh MP, Kalane DP, Agarwal AK, Sathe BD, Mukherjee K, Gupta A, Haldar S, Raja M, Singh S, Pham SM, Chakravarty S, Quinn K, Belmar S, Alfaro IE, Higgs C, Bernales S, Herrera FJ, Rai R.
Design, synthesis and optimization of bis-amide derivatives as CSF1R inhibitors. Ramachandran SA, Jadhavar PS, Miglani SK, Singh MP, Kalane DP, Agarwal AK, Sathe BD, Mukherjee K, Gupta A, Haldar S, Raja M, Singh S, Pham SM, Chakravarty S, Quinn K, Belmar S, Alfaro IE, Higgs C, Bernales S, Herrera FJ, Rai R.: Design, synthesis and optimization of bis-amide derivatives as CSF1R inhibitors. Bioorg Med Chem Lett, Volume 27 (10), 2017 Bioorg Med Chem Lett 2017 28377059
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Ramamoorthy S, Liu W, Ma YY, Yang-Feng TL, Ganapathy V,...
Ramamoorthy S, Liu W, Ma YY, Yang-Feng TL, Ganapathy V, Leibach FH.
Proton/peptide cotransporter (PEPT 2) from human kidney: functional characterization and chromosomal localization. Ramamoorthy S, Liu W, Ma YY, Yang-Feng TL, Ganapathy V, Leibach FH.: Proton/peptide cotransporter (PEPT 2) from human kidney: functional characterization and chromosomal localization. Biochim Biophys Acta, Volume 1240 (1), 1995 Biochim Biophys Acta 1995 7495840
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Ramanujulu PM, Yang T, Yap SQ, Wong FC, Casey PJ, Wang M,...
Ramanujulu PM, Yang T, Yap SQ, Wong FC, Casey PJ, Wang M, Go ML.
Functionalized indoleamines as potent, drug-like inhibitors of isoprenylcysteine carboxyl methyltransferase (Icmt). Ramanujulu PM, Yang T, Yap SQ, Wong FC, Casey PJ, Wang M, Go ML.: Functionalized indoleamines as potent, drug-like inhibitors of isoprenylcysteine carboxyl methyltransferase (Icmt). Eur J Med Chem, Volume 63, 2013 Eur J Med Chem 2013 23514631
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Ramdas V, Talwar R, Kanoje V, Loriya RM, Banerjee M, Patil...
Ramdas V, Talwar R, Kanoje V, Loriya RM, Banerjee M, Patil P, Joshi AA, Datrange L, Das AK, Walke DS, Kalhapure V, Khan T, Gote G, Dhayagude U, Deshpande S, Shaikh J, Chaure G, Pal RR, Parkale S, Suravase S, Bhoskar S, Gupta RV, Kalia A, Yeshodharan R, Azhar M, Daler J, Mali V, Sharma G, Kishore A, Vyawahare R, Agarwal G, Pareek H, Budhe S, Nayak A, Warude D, Gupta PK, Joshi P, Joshi S, Darekar S, Pandey D, Wagh A, Nigade PB, Mehta M, Patil V, Modi D, Pawar S, Verma M, Verma M, Singh M, Das S, Gundu J, Nemmani K, Bock MG, Sharma S, Bakhle D, Kamboj RK, Palle VP.
Discovery of Potent, Selective, and State-Dependent NaV1.7 Inhibitors with Robust Oral Efficacy in Pain... Ramdas V, Talwar R, Kanoje V, Loriya RM, Banerjee M, Patil P, Joshi AA, Datrange L, Das AK, Walke DS, Kalhapure V, Khan T, Gote G, Dhayagude U, Deshpande S, Shaikh J, Chaure G, Pal RR, Parkale S, Suravase S, Bhoskar S, Gupta RV, Kalia A, Yeshodharan R, Azhar M, Daler J, Mali V, Sharma G, Kishore A, Vyawahare R, Agarwal G, Pareek H, Budhe S, Nayak A, Warude D, Gupta PK, Joshi P, Joshi S, Darekar S, Pandey D, Wagh A, Nigade PB, Mehta M, Patil V, Modi D, Pawar S, Verma M, Verma M, Singh M, Das S, Gundu J, Nemmani K, Bock MG, Sharma S, Bakhle D, Kamboj RK, Palle VP.: Discovery of Potent, Selective, and State-Dependent NaV1.7 Inhibitors with Robust Oral Efficacy in Pain Models: Structure-Activity Relationship and Optimization of Chroman and Indane Aryl Sulfonamides. J Med Chem, Volume 63 (11), 2020 J Med Chem 2020 32368909
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Ramos-Hunter SJ, Engers DW, Kaufmann K, Du Y, Lindsley CW,...
Ramos-Hunter SJ, Engers DW, Kaufmann K, Du Y, Lindsley CW, Weaver CD, Sulikowski GA.
Discovery and SAR of a novel series of GIRK1/2 and GIRK1/4 activators. Ramos-Hunter SJ, Engers DW, Kaufmann K, Du Y, Lindsley CW, Weaver CD, Sulikowski GA.: Discovery and SAR of a novel series of GIRK1/2 and GIRK1/4 activators. Bioorg Med Chem Lett, Volume 23 (18), 2013 Bioorg Med Chem Lett 2013 23916258
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Total passive interactions: 0
Total active interactions: 2
Ramtohul YK, Powell D, Leclerc JP, Leger S, Oballa R, Black...
Ramtohul YK, Powell D, Leclerc JP, Leger S, Oballa R, Black C, Isabel E, Li CS, Crane S, Robichaud J, Guay J, Guiral S, Zhang L, Huang Z.
Bicyclic heteroaryl inhibitors of stearoyl-CoA desaturase: from systemic to liver-targeting inhibitors. Ramtohul YK, Powell D, Leclerc JP, Leger S, Oballa R, Black C, Isabel E, Li CS, Crane S, Robichaud J, Guay J, Guiral S, Zhang L, Huang Z.: Bicyclic heteroaryl inhibitors of stearoyl-CoA desaturase: from systemic to liver-targeting inhibitors. Bioorg Med Chem Lett, Volume 21 (19), 2011 Bioorg Med Chem Lett 2011 21871798
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Ramurthy S, Aikawa M, Amiri P, Costales A, Hashash A,...
Ramurthy S, Aikawa M, Amiri P, Costales A, Hashash A, Jansen JM, Lin S, Ma S, Renhowe PA, Shafer CM, Subramanian S, Sung L, Verhagen J.
Design and synthesis of 5,6-fused heterocyclic amides as Raf kinase inhibitors. Ramurthy S, Aikawa M, Amiri P, Costales A, Hashash A, Jansen JM, Lin S, Ma S, Renhowe PA, Shafer CM, Subramanian S, Sung L, Verhagen J.: Design and synthesis of 5,6-fused heterocyclic amides as Raf kinase inhibitors. Bioorg Med Chem Lett, Volume 21 (11), 2011 Bioorg Med Chem Lett 2011 21543226
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Ramurthy S, Taft BR, Aversa RJ, Barsanti PA, Burger MT, Lou...
Ramurthy S, Taft BR, Aversa RJ, Barsanti PA, Burger MT, Lou Y, Nishiguchi GA, Rico A, Setti L, Smith A, Subramanian S, Tamez V, Tanner H, Wan L, Hu C, Appleton BA, Mamo M, Tandeske L, Tellew JE, Huang S, Yue Q, Chaudhary A, Tian H, Iyer R, Hassan AQ, Mathews Griner LA, La Bonte LR, Cooke VG, Van Abbema A, Merritt H, Gampa K, Feng F, Yuan J, Mishina Y, Wang Y, Haling JR, Vaziri S, Hekmat-Nejad M, Polyakov V, Zang R, Sethuraman V, Amiri P, Singh M, Sellers WR, Lees E, Shao W, Dillon MP, Stuart DD.
Design and Discovery of... Ramurthy S, Taft BR, Aversa RJ, Barsanti PA, Burger MT, Lou Y, Nishiguchi GA, Rico A, Setti L, Smith A, Subramanian S, Tamez V, Tanner H, Wan L, Hu C, Appleton BA, Mamo M, Tandeske L, Tellew JE, Huang S, Yue Q, Chaudhary A, Tian H, Iyer R, Hassan AQ, Mathews Griner LA, La Bonte LR, Cooke VG, Van Abbema A, Merritt H, Gampa K, Feng F, Yuan J, Mishina Y, Wang Y, Haling JR, Vaziri S, Hekmat-Nejad M, Polyakov V, Zang R, Sethuraman V, Amiri P, Singh M, Sellers WR, Lees E, Shao W, Dillon MP, Stuart DD.: Design and Discovery of N-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J Med Chem, Volume 63 (5), 2020 J Med Chem 2020 31059256
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Rand AC, Leung SS, Eng H, Rotter CJ, Sharma R, Kalgutkar...
Rand AC, Leung SS, Eng H, Rotter CJ, Sharma R, Kalgutkar AS, Zhang Y, Varma MV, Farley KA, Khunte B, Limberakis C, Price DA, Liras S, Mathiowetz AM, Jacobson MP, Lokey RS.
Optimizing PK properties of cyclic peptides: the effect of side chain substitutions on permeability and clearance(). Rand AC, Leung SS, Eng H, Rotter CJ, Sharma R, Kalgutkar AS, Zhang Y, Varma MV, Farley KA, Khunte B, Limberakis C, Price DA, Liras S, Mathiowetz AM, Jacobson MP, Lokey RS.: Optimizing PK properties of cyclic peptides: the effect of side chain substitutions on permeability and clearance(). Medchemcomm, Volume 3 (10), 2012 Medchemcomm 2012 23133740
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Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter...
Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.
Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of... Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018 J Med Chem 2018 29342358
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Randolph JT, Voight EA, Greszler SN, Uno BE, Newton JN,...
Randolph JT, Voight EA, Greszler SN, Uno BE, Newton JN, Gleason KM, Stolarik D, Van Handel C, Bow DAJ, DeGoey DA.
Prodrug Strategies to Improve the Solubility of the HCV NS5A Inhibitor Pibrentasvir (ABT-530). Randolph JT, Voight EA, Greszler SN, Uno BE, Newton JN, Gleason KM, Stolarik D, Van Handel C, Bow DAJ, DeGoey DA.: Prodrug Strategies to Improve the Solubility of the HCV NS5A Inhibitor Pibrentasvir (ABT-530). J Med Chem, Volume 63 (19), 2020 J Med Chem 2020 32881503
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Rankovic Z, Cai J, Kerr J, Fradera X, Robinson J, Mistry A,...
Rankovic Z, Cai J, Kerr J, Fradera X, Robinson J, Mistry A, Finlay W, McGarry G, Andrews F, Caulfield W, Cumming I, Dempster M, Waller J, Arbuckle W, Anderson M, Martin I, Mitchell A, Long C, Baugh M, Westwood P, Kinghorn E, Jones P, Uitdehaag JC, van Zeeland M, Potin D, Saniere L, Fouquet A, Chevallier F, Deronzier H, Dorleans C, Nicolai E.
Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. Rankovic Z, Cai J, Kerr J, Fradera X, Robinson J, Mistry A, Finlay W, McGarry G, Andrews F, Caulfield W, Cumming I, Dempster M, Waller J, Arbuckle W, Anderson M, Martin I, Mitchell A, Long C, Baugh M, Westwood P, Kinghorn E, Jones P, Uitdehaag JC, van Zeeland M, Potin D, Saniere L, Fouquet A, Chevallier F, Deronzier H, Dorleans C, Nicolai E.: Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. Bioorg Med Chem Lett, Volume 20 (21), 2010 Bioorg Med Chem Lett 2010 20843687
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Rano TA, Sieber-McMaster E, Pelton PD, Yang M, Demarest KT,...
Rano TA, Sieber-McMaster E, Pelton PD, Yang M, Demarest KT, Kuo GH.
Design and synthesis of potent inhibitors of cholesteryl ester transfer protein (CETP) exploiting a... Rano TA, Sieber-McMaster E, Pelton PD, Yang M, Demarest KT, Kuo GH.: Design and synthesis of potent inhibitors of cholesteryl ester transfer protein (CETP) exploiting a 1,2,3,4-tetrahydroquinoline platform. Bioorg Med Chem Lett, Volume 19 (9), 2009 Bioorg Med Chem Lett 2009 19339179
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Raoof A, Depledge P, Hamilton NM, Hamilton NS, Hitchin JR,...
Raoof A, Depledge P, Hamilton NM, Hamilton NS, Hitchin JR, Hopkins GV, Jordan AM, Maguire LA, McGonagle AE, Mould DP, Rushbrooke M, Small HF, Smith KM, Thomson GJ, Turlais F, Waddell ID, Waszkowycz B, Watson AJ, Ogilvie DJ.
Toxoflavins and deazaflavins as the first reported selective small molecule inhibitors of tyrosyl-DNA phosphodiesterase... Raoof A, Depledge P, Hamilton NM, Hamilton NS, Hitchin JR, Hopkins GV, Jordan AM, Maguire LA, McGonagle AE, Mould DP, Rushbrooke M, Small HF, Smith KM, Thomson GJ, Turlais F, Waddell ID, Waszkowycz B, Watson AJ, Ogilvie DJ.: Toxoflavins and deazaflavins as the first reported selective small molecule inhibitors of tyrosyl-DNA phosphodiesterase II. J Med Chem, Volume 56 (16), 2013 J Med Chem 2013 23859074
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Rathore H, From AH, Ahmed K, Fullerton DS.
Rathore H, From AH, Ahmed K, Fullerton DS.
Cardiac glycosides. 7. Sugar stereochemistry and cardiac glycoside activity. Rathore H, From AH, Ahmed K, Fullerton DS.: Cardiac glycosides. 7. Sugar stereochemistry and cardiac glycoside activity. J Med Chem, Volume 29 (10), 1986 J Med Chem 1986 3020248
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Raubo P, Evans R, Willis P.
Raubo P, Evans R, Willis P.
The discovery and evaluation of 3-amino-2(1H)-pyrazinones as a novel series of selective p38α MAP kinase inhibitors. Raubo P, Evans R, Willis P.: The discovery and evaluation of 3-amino-2(1H)-pyrazinones as a novel series of selective p38α MAP kinase inhibitors. Bioorg Med Chem Lett, Volume 30 (18), 2020 Bioorg Med Chem Lett 2020 32717614
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Ravindra M, Wallace-Povirk A, Karim MA, Wilson MR, O'Connor...
Ravindra M, Wallace-Povirk A, Karim MA, Wilson MR, O'Connor C, White K, Kushner J, Polin L, George C, Hou Z, Matherly LH, Gangjee A.
Tumor Targeting with Novel Pyridyl 6-Substituted Pyrrolo[2,3- d]Pyrimidine Antifolates via Cellular Uptake by Folate... Ravindra M, Wallace-Povirk A, Karim MA, Wilson MR, O'Connor C, White K, Kushner J, Polin L, George C, Hou Z, Matherly LH, Gangjee A.: Tumor Targeting with Novel Pyridyl 6-Substituted Pyrrolo[2,3- d]Pyrimidine Antifolates via Cellular Uptake by Folate Receptor α and the Proton-Coupled Folate Transporter and Inhibition of De Novo Purine Nucleotide Biosynthesis. J Med Chem, Volume 61 (5), 2018 J Med Chem 2018 29425443
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Rawicz W, Smith BA, McIntosh TJ, Simon SA, Evans E.
Rawicz W, Smith BA, McIntosh TJ, Simon SA, Evans E.
Elasticity, strength, and water permeability of bilayers that contain raft microdomain-forming lipids. Rawicz W, Smith BA, McIntosh TJ, Simon SA, Evans E.: Elasticity, strength, and water permeability of bilayers that contain raft microdomain-forming lipids. Biophys J, Volume 94 (12), 4725-4736, 2008 Biophys J 2008 18339739
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Total active interactions: 0
Rawson DJ, Ballard S, Barber C, Barker L, Beaumont K,...
Rawson DJ, Ballard S, Barber C, Barker L, Beaumont K, Bunnage M, Cole S, Corless M, Denton S, Ellis D, Floc'h M, Foster L, Gosset J, Holmwood F, Lane C, Leahy D, Mathias J, Maw G, Million W, Poinsard C, Price J, Russel R, Street S, Watson L.
The discovery of UK-369003, a novel PDE5 inhibitor with the potential for oral bioavailability and dose-proportional... Rawson DJ, Ballard S, Barber C, Barker L, Beaumont K, Bunnage M, Cole S, Corless M, Denton S, Ellis D, Floc'h M, Foster L, Gosset J, Holmwood F, Lane C, Leahy D, Mathias J, Maw G, Million W, Poinsard C, Price J, Russel R, Street S, Watson L.: The discovery of UK-369003, a novel PDE5 inhibitor with the potential for oral bioavailability and dose-proportional pharmacokinetics. Bioorg Med Chem, Volume 20 (1), 2012 Bioorg Med Chem 2012 22100260
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David J. Rawson, Kevin N. Dack, Roger P. Dickinson, Kim...
David J. Rawson, Kevin N. Dack, Roger P. Dickinson, Kim James, Clive Long & Don Walker
The Design and Synthesis of a Novel, Orally Active, Selective ETA Antagonist Rawson, D., Dack, K., Dickinson, R. et al. The Design and Synthesis of a Novel, Orally Active, Selective ETA Antagonist. Med Chem Res 13, 149–157 (2004). https://doi.org/10.1007/s00044-004-0021-y Medicinal Chemistry Research 2004 10.1007/s00044-...
Total substances: 9
Total passive interactions: 9
Total active interactions: 0
Ray P, Wright J, Adam J, Bennett J, Boucharens S, Black D,...
Ray P, Wright J, Adam J, Bennett J, Boucharens S, Black D, Cook A, Brown AR, Epemolu O, Fletcher D, Haunso A, Huggett M, Jones P, Laats S, Lyons A, Mestres J, de Man J, Morphy R, Rankovic Z, Sherborne B, Sherry L, van Straten N, Westwood P, Zaman GZ.
Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. Ray P, Wright J, Adam J, Bennett J, Boucharens S, Black D, Cook A, Brown AR, Epemolu O, Fletcher D, Haunso A, Huggett M, Jones P, Laats S, Lyons A, Mestres J, de Man J, Morphy R, Rankovic Z, Sherborne B, Sherry L, van Straten N, Westwood P, Zaman GZ.: Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. Bioorg Med Chem Lett, Volume 21 (1), 2011 Bioorg Med Chem Lett 2011 21145740
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Ray P, Wright J, Adam J, Boucharens S, Black D, Brown AR,...
Ray P, Wright J, Adam J, Boucharens S, Black D, Brown AR, Epemolu O, Fletcher D, Huggett M, Jones P, Laats S, Lyons A, de Man J, Morphy R, Sherborne B, Sherry L, Straten Nv, Westwood P, York M.
Optimisation of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. Ray P, Wright J, Adam J, Boucharens S, Black D, Brown AR, Epemolu O, Fletcher D, Huggett M, Jones P, Laats S, Lyons A, de Man J, Morphy R, Sherborne B, Sherry L, Straten Nv, Westwood P, York M.: Optimisation of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. Bioorg Med Chem Lett, Volume 21 (4), 2011 Bioorg Med Chem Lett 2011 21251828
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Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch...
Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.
Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and... Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010 J Med Chem 2010 20361799
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Razavi H, Riether D, Harcken C, Bentzien J, Dinallo RM,...
Razavi H, Riether D, Harcken C, Bentzien J, Dinallo RM, Souza D, Nelson RM, Kukulka A, Fadra-Khan TN, Pack EJ, Zuvela-Jelaska L, Pelletier J, Panzenbeck M, Torcellini CA, Proudfoot JR, Nabozny GH, Thomson DS.
Discovery of a potent and dissociated non-steroidal glucocorticoid receptor agonist containing an alkyl carbinol... Razavi H, Riether D, Harcken C, Bentzien J, Dinallo RM, Souza D, Nelson RM, Kukulka A, Fadra-Khan TN, Pack EJ, Zuvela-Jelaska L, Pelletier J, Panzenbeck M, Torcellini CA, Proudfoot JR, Nabozny GH, Thomson DS.: Discovery of a potent and dissociated non-steroidal glucocorticoid receptor agonist containing an alkyl carbinol pharmacophore. Bioorg Med Chem Lett, Volume 24 (8), 2014 Bioorg Med Chem Lett 2014 24656565
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Reader JC, Matthews TP, Klair S, Cheung KM, Scanlon J,...
Reader JC, Matthews TP, Klair S, Cheung KM, Scanlon J, Proisy N, Addison G, Ellard J, Piton N, Taylor S, Cherry M, Fisher M, Boxall K, Burns S, Walton MI, Westwood IM, Hayes A, Eve P, Valenti M, de Haven Brandon A, Box G, van Montfort RL, Williams DH, Aherne GW, Raynaud FI, Eccles SA, Garrett MD, Collins I.
Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. Reader JC, Matthews TP, Klair S, Cheung KM, Scanlon J, Proisy N, Addison G, Ellard J, Piton N, Taylor S, Cherry M, Fisher M, Boxall K, Burns S, Walton MI, Westwood IM, Hayes A, Eve P, Valenti M, de Haven Brandon A, Box G, van Montfort RL, Williams DH, Aherne GW, Raynaud FI, Eccles SA, Garrett MD, Collins I.: Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. J Med Chem, Volume 54 (24), 2011 J Med Chem 2011 22111927
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Reddy MV, Mallireddigari MR, Pallela VR, Cosenza SC, Billa...
Reddy MV, Mallireddigari MR, Pallela VR, Cosenza SC, Billa VK, Akula B, Subbaiah DR, Bharathi EV, Padgaonkar A, Lv H, Gallo JM, Reddy EP.
Design, synthesis, and biological evaluation of (E)-N-aryl-2-arylethenesulfonamide analogues as potent and orally... Reddy MV, Mallireddigari MR, Pallela VR, Cosenza SC, Billa VK, Akula B, Subbaiah DR, Bharathi EV, Padgaonkar A, Lv H, Gallo JM, Reddy EP.: Design, synthesis, and biological evaluation of (E)-N-aryl-2-arylethenesulfonamide analogues as potent and orally bioavailable microtubule-targeted anticancer agents. J Med Chem, Volume 56 (13), 2013 J Med Chem 2013 23750455
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Redondo M, Brea J, Perez DI, Soteras I, Val C, Perez C,...
Redondo M, Brea J, Perez DI, Soteras I, Val C, Perez C, Morales-García JA, Alonso-Gil S, Paul-Fernandez N, Martin-Alvarez R, Cadavid MI, Loza MI, Perez-Castillo A, Mengod G, Campillo NE, Martinez A, Gil C.
Effect of phosphodiesterase 7 (PDE7) inhibitors in experimental autoimmune encephalomyelitis mice. Discovery of a new... Redondo M, Brea J, Perez DI, Soteras I, Val C, Perez C, Morales-García JA, Alonso-Gil S, Paul-Fernandez N, Martin-Alvarez R, Cadavid MI, Loza MI, Perez-Castillo A, Mengod G, Campillo NE, Martinez A, Gil C.: Effect of phosphodiesterase 7 (PDE7) inhibitors in experimental autoimmune encephalomyelitis mice. Discovery of a new chemically diverse family of compounds. J Med Chem, Volume 55 (7), 2012 J Med Chem 2012 22385507
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Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C,...
Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.
Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental... Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012 Eur J Med Chem 2012 22100138
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Reese MJ, Savina PM, Generaux GT, Tracey H, Humphreys JE,...
Reese MJ, Savina PM, Generaux GT, Tracey H, Humphreys JE, Kanaoka E, Webster LO, Harmon KA, Clarke JD, Polli JW.
In vitro investigations into the roles of drug transporters and metabolizing enzymes in the disposition and drug... Reese MJ, Savina PM, Generaux GT, Tracey H, Humphreys JE, Kanaoka E, Webster LO, Harmon KA, Clarke JD, Polli JW.: In vitro investigations into the roles of drug transporters and metabolizing enzymes in the disposition and drug interactions of dolutegravir, a HIV integrase inhibitor. Drug Metab Dispos, Volume 41 (2), 2013 Drug Metab Dispos 2013 23132334
Total substances: 1
Total passive interactions: 0
Total active interactions: 4
Reeves EKM, Hoffman EP, Nagaraju K, Damsker JM, McCall JM.
Reeves EKM, Hoffman EP, Nagaraju K, Damsker JM, McCall JM.
VBP15: preclinical characterization of a novel anti-inflammatory delta 9,11 steroid. Reeves EKM, Hoffman EP, Nagaraju K, Damsker JM, McCall JM.: VBP15: preclinical characterization of a novel anti-inflammatory delta 9,11 steroid. Bioorg Med Chem, Volume 21 (8), 2013 Bioorg Med Chem 2013 23498916
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Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB,...
Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.
In silico prediction of membrane permeability from calculated molecular parameters. Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005 J Med Chem 2005 15689164
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Regan CF, Guo Z, Chen Y, Huang CQ, Chen M, Jiang W, Rueter...
Regan CF, Guo Z, Chen Y, Huang CQ, Chen M, Jiang W, Rueter JK, Coon T, Chen C, Saunders J, Brown MS, Betz SF, Struthers RS, Yang C, Wen J, Madan A, Zhu YF.
Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties. Regan CF, Guo Z, Chen Y, Huang CQ, Chen M, Jiang W, Rueter JK, Coon T, Chen C, Saunders J, Brown MS, Betz SF, Struthers RS, Yang C, Wen J, Madan A, Zhu YF.: Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties. Bioorg Med Chem Lett, Volume 18 (16), 2008 Bioorg Med Chem Lett 2008 18667310
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Regueiro-Ren A, Simmermacher-Mayer J, Sinz M, Johnson KA,...
Regueiro-Ren A, Simmermacher-Mayer J, Sinz M, Johnson KA, Huang XS, Jenkins S, Parker D, Rahematpura S, Zheng M, Meanwell NA, Kadow JF.
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium... Regueiro-Ren A, Simmermacher-Mayer J, Sinz M, Johnson KA, Huang XS, Jenkins S, Parker D, Rahematpura S, Zheng M, Meanwell NA, Kadow JF.: Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248. J Med Chem, Volume 56 (4), 2013 J Med Chem 2013 23374053
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Regueiro-Ren A, Xue QM, Swidorski JJ, Gong YF, Mathew M,...
Regueiro-Ren A, Xue QM, Swidorski JJ, Gong YF, Mathew M, Parker DD, Yang Z, Eggers B, D'Arienzo C, Sun Y, Malinowski J, Gao Q, Wu D, Langley DR, Colonno RJ, Chien C, Grasela DM, Zheng M, Lin PF, Meanwell NA, Kadow JF.
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated... Regueiro-Ren A, Xue QM, Swidorski JJ, Gong YF, Mathew M, Parker DD, Yang Z, Eggers B, D'Arienzo C, Sun Y, Malinowski J, Gao Q, Wu D, Langley DR, Colonno RJ, Chien C, Grasela DM, Zheng M, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-585248). J Med Chem, Volume 56 (4), 2013 J Med Chem 2013 23360431
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Reich SH, Sprengeler PA, Chiang GG, Appleman JR, Chen J,...
Reich SH, Sprengeler PA, Chiang GG, Appleman JR, Chen J, Clarine J, Eam B, Ernst JT, Han Q, Goel VK, Han EZR, Huang V, Hung INJ, Jemison A, Jessen KA, Molter J, Murphy D, Neal M, Parker GS, Shaghafi M, Sperry S, Staunton J, Stumpf CR, Thompson PA, Tran C, Webber SE, Wegerski CJ, Zheng H, Webster KR.
Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated... Reich SH, Sprengeler PA, Chiang GG, Appleman JR, Chen J, Clarine J, Eam B, Ernst JT, Han Q, Goel VK, Han EZR, Huang V, Hung INJ, Jemison A, Jessen KA, Molter J, Murphy D, Neal M, Parker GS, Shaghafi M, Sperry S, Staunton J, Stumpf CR, Thompson PA, Tran C, Webber SE, Wegerski CJ, Zheng H, Webster KR.: Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J Med Chem, Volume 61 (8), 2018 J Med Chem 2018 29526098
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Reid G, Wielinga P, Zelcer N, De Haas M, Van Deemter L,...
Reid G, Wielinga P, Zelcer N, De Haas M, Van Deemter L, Wijnholds J, Balzarini J, Borst P.
Characterization of the transport of nucleoside analog drugs by the human multidrug resistance proteins MRP4 and MRP5. Reid G, Wielinga P, Zelcer N, De Haas M, Van Deemter L, Wijnholds J, Balzarini J, Borst P.: Characterization of the transport of nucleoside analog drugs by the human multidrug resistance proteins MRP4 and MRP5. Mol Pharmacol, Volume 63 (5), 2003 Mol Pharmacol 2003 12695538
Total substances: 6
Total passive interactions: 0
Total active interactions: 10
Reid G, Wielinga P, Zelcer N, van der Heijden I, Kuil A, de...
Reid G, Wielinga P, Zelcer N, van der Heijden I, Kuil A, de Haas M, Wijnholds J, Borst P.
The human multidrug resistance protein MRP4 functions as a prostaglandin efflux transporter and is inhibited by... Reid G, Wielinga P, Zelcer N, van der Heijden I, Kuil A, de Haas M, Wijnholds J, Borst P.: The human multidrug resistance protein MRP4 functions as a prostaglandin efflux transporter and is inhibited by nonsteroidal antiinflammatory drugs. Proc Natl Acad Sci U S A, Volume 100 (16), 2003 Proc Natl Acad Sci U S A 2003 12835412
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Reid M, Carlyle I, Caulfield WL, Clarkson TR, Cusick F,...
Reid M, Carlyle I, Caulfield WL, Clarkson TR, Cusick F, Epemolu O, Gilfillan R, Goodwin R, Jaap D, O'Donnell EC, Presland J, Rankovic Z, Spinks D, Spinks G, Thomson AM, Thomson F, Strain J, Wishart G.
The discovery and SAR of indoline-3-carboxamides--a new series of 5-HT6 antagonists. Reid M, Carlyle I, Caulfield WL, Clarkson TR, Cusick F, Epemolu O, Gilfillan R, Goodwin R, Jaap D, O'Donnell EC, Presland J, Rankovic Z, Spinks D, Spinks G, Thomson AM, Thomson F, Strain J, Wishart G.: The discovery and SAR of indoline-3-carboxamides--a new series of 5-HT6 antagonists. Bioorg Med Chem Lett, Volume 20 (12), 2010 Bioorg Med Chem Lett 2010 20471831
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Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D,...
Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.
Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase... Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018 Eur J Med Chem 2018 30245401
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Reith ME, Xu C, Zhang L, Coffey LL.
Reith ME, Xu C, Zhang L, Coffey LL.
Translocation of dopamine and binding of WIN 35,428 measured under identical conditions in cells expressing the cloned... Reith ME, Xu C, Zhang L, Coffey LL.: Translocation of dopamine and binding of WIN 35,428 measured under identical conditions in cells expressing the cloned human dopamine transporter. Naunyn Schmiedebergs Arch Pharmacol, Volume 354 (3), 1996 Naunyn Schmiedebergs Arch Pharmacol 1996 8878059
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Remen L, Bezençon O, Simons L, Gaston R, Downing D,...
Remen L, Bezençon O, Simons L, Gaston R, Downing D, Gatfield J, Roch C, Kessler M, Mosbacher J, Pfeifer T, Grisostomi C, Rey M, Ertel EA, Moon R.
Preparation, Antiepileptic Activity, and Cardiovascular Safety of Dihydropyrazoles as Brain-Penetrant T-Type Calcium... Remen L, Bezençon O, Simons L, Gaston R, Downing D, Gatfield J, Roch C, Kessler M, Mosbacher J, Pfeifer T, Grisostomi C, Rey M, Ertel EA, Moon R.: Preparation, Antiepileptic Activity, and Cardiovascular Safety of Dihydropyrazoles as Brain-Penetrant T-Type Calcium Channel Blockers. J Med Chem, Volume 59 (18), 2016 J Med Chem 2016 27579577
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Ren L, Grina J, Moreno D, Blake JF, Gaudino JJ, Garrey R,...
Ren L, Grina J, Moreno D, Blake JF, Gaudino JJ, Garrey R, Metcalf AT, Burkard M, Martinson M, Rasor K, Chen H, Dean B, Gould SE, Pacheco P, Shahidi-Latham S, Yin J, West K, Wang W, Moffat JG, Schwarz JB.
Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. Ren L, Grina J, Moreno D, Blake JF, Gaudino JJ, Garrey R, Metcalf AT, Burkard M, Martinson M, Rasor K, Chen H, Dean B, Gould SE, Pacheco P, Shahidi-Latham S, Yin J, West K, Wang W, Moffat JG, Schwarz JB.: Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. J Med Chem, Volume 58 (4), 2015 J Med Chem 2015 25603482
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Ren L, Laird ER, Buckmelter AJ, Dinkel V, Gloor SL, Grina...
Ren L, Laird ER, Buckmelter AJ, Dinkel V, Gloor SL, Grina J, Newhouse B, Rasor K, Hastings G, Gradl SN, Rudolph J.
Potent and selective pyrazolo[1,5-a]pyrimidine based inhibitors of B-Raf(V600E) kinase with favorable physicochemical... Ren L, Laird ER, Buckmelter AJ, Dinkel V, Gloor SL, Grina J, Newhouse B, Rasor K, Hastings G, Gradl SN, Rudolph J.: Potent and selective pyrazolo[1,5-a]pyrimidine based inhibitors of B-Raf(V600E) kinase with favorable physicochemical and pharmacokinetic properties. Bioorg Med Chem Lett, Volume 22 (2), 2012 Bioorg Med Chem Lett 2012 22196124
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Ren L, Wenglowsky S, Miknis G, Rast B, Buckmelter AJ, Ely...
Ren L, Wenglowsky S, Miknis G, Rast B, Buckmelter AJ, Ely RJ, Schlachter S, Laird ER, Randolph N, Callejo M, Martinson M, Galbraith S, Brandhuber BJ, Vigers G, Morales T, Voegtli WC, Lyssikatos J.
Non-oxime inhibitors of B-Raf(V600E) kinase. Ren L, Wenglowsky S, Miknis G, Rast B, Buckmelter AJ, Ely RJ, Schlachter S, Laird ER, Randolph N, Callejo M, Martinson M, Galbraith S, Brandhuber BJ, Vigers G, Morales T, Voegtli WC, Lyssikatos J.: Non-oxime inhibitors of B-Raf(V600E) kinase. Bioorg Med Chem Lett, Volume 21 (4), 2011 Bioorg Med Chem Lett 2011 21251822
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Ren X, Pan X, Zhang Z, Wang D, Lu X, Li Y, Wen D, Long H,...
Ren X, Pan X, Zhang Z, Wang D, Lu X, Li Y, Wen D, Long H, Luo J, Feng Y, Zhuang X, Zhang F, Liu J, Leng F, Lang X, Bai Y, She M, Tu Z, Pan J, Ding K, Ding K.
Identification of GZD824 as an orally bioavailable inhibitor that targets phosphorylated and nonphosphorylated... Ren X, Pan X, Zhang Z, Wang D, Lu X, Li Y, Wen D, Long H, Luo J, Feng Y, Zhuang X, Zhang F, Liu J, Leng F, Lang X, Bai Y, She M, Tu Z, Pan J, Ding K, Ding K.: Identification of GZD824 as an orally bioavailable inhibitor that targets phosphorylated and nonphosphorylated breakpoint cluster region-Abelson (Bcr-Abl) kinase and overcomes clinically acquired mutation-induced resistance against imatinib. J Med Chem, Volume 56 (3), 2013 J Med Chem 2013 23301703
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Renard BL, Boucherle B, Maurin B, Molina MC, Norez C, Becq...
Renard BL, Boucherle B, Maurin B, Molina MC, Norez C, Becq F, Décout JL.
An expeditious access to 5-pyrimidinol derivatives from cyclic methylglyoxal diadducts, formation of argpyrimidines... Renard BL, Boucherle B, Maurin B, Molina MC, Norez C, Becq F, Décout JL.: An expeditious access to 5-pyrimidinol derivatives from cyclic methylglyoxal diadducts, formation of argpyrimidines under physiological conditions and discovery of new CFTR inhibitors. Eur J Med Chem, Volume 46 (5), 2011 Eur J Med Chem 2011 21397997
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Total passive interactions: 0
Total active interactions: 1
René O, Fauber BP, Barnard A, Chapman K, Deng Y,...
René O, Fauber BP, Barnard A, Chapman K, Deng Y, Eidenschenk C, Everett C, Gobbi A, Johnson AR, La H, Norman M, Salmon G, Summerhill S, Wong H.
Discovery of oxa-sultams as RORc inverse agonists showing reduced lipophilicity, improved selectivity and favorable... René O, Fauber BP, Barnard A, Chapman K, Deng Y, Eidenschenk C, Everett C, Gobbi A, Johnson AR, La H, Norman M, Salmon G, Summerhill S, Wong H.: Discovery of oxa-sultams as RORc inverse agonists showing reduced lipophilicity, improved selectivity and favorable ADME properties. Bioorg Med Chem Lett, Volume 26 (18), 2016 Bioorg Med Chem Lett 2016 27524313
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Renneberg D, Hubler F, Rey M, Hess P, Delahaye S, Gatfield...
Renneberg D, Hubler F, Rey M, Hess P, Delahaye S, Gatfield J, Iglarz M, Hilpert K.
Discovery of novel bridged tetrahydronaphthalene derivatives as potent T/L-type calcium channel blockers. Renneberg D, Hubler F, Rey M, Hess P, Delahaye S, Gatfield J, Iglarz M, Hilpert K.: Discovery of novel bridged tetrahydronaphthalene derivatives as potent T/L-type calcium channel blockers. Bioorg Med Chem Lett, Volume 25 (18), 2015 Bioorg Med Chem Lett 2015 26231163
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG,...
Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.
Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999 Bioorg Med Chem Lett 1999 10522702
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Rewinkel JB, Lucas H, van Galen PJ, Noach AB, van Dinther...
Rewinkel JB, Lucas H, van Galen PJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.
1-Aminoisoquinoline as benzamidine isoster in the design and synthesis of orally active thrombin inhibitors. Rewinkel JB, Lucas H, van Galen PJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: 1-Aminoisoquinoline as benzamidine isoster in the design and synthesis of orally active thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (5), 1999 Bioorg Med Chem Lett 1999 10201829
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Ribeiro CJA, Kankanala J, Xie J, Williams J, Aihara H, Wang...
Ribeiro CJA, Kankanala J, Xie J, Williams J, Aihara H, Wang Z.
Triazolopyrimidine and triazolopyridine scaffolds as TDP2 inhibitors. Ribeiro CJA, Kankanala J, Xie J, Williams J, Aihara H, Wang Z.: Triazolopyrimidine and triazolopyridine scaffolds as TDP2 inhibitors. Bioorg Med Chem Lett, Volume 29 (2), 2019 Bioorg Med Chem Lett 2019 30522956
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Rice KD, Aay N, Anand NK, Blazey CM, Bowles OJ, Bussenius...
Rice KD, Aay N, Anand NK, Blazey CM, Bowles OJ, Bussenius J, Costanzo S, Curtis JK, Defina SC, Dubenko L, Engst S, Joshi AA, Kennedy AR, Kim AI, Koltun ES, Lougheed JC, Manalo JC, Martini JF, Nuss JM, Peto CJ, Tsang TH, Yu P, Johnston S.
Novel Carboxamide-Based Allosteric MEK Inhibitors: Discovery and Optimization Efforts toward XL518 (GDC-0973). Rice KD, Aay N, Anand NK, Blazey CM, Bowles OJ, Bussenius J, Costanzo S, Curtis JK, Defina SC, Dubenko L, Engst S, Joshi AA, Kennedy AR, Kim AI, Koltun ES, Lougheed JC, Manalo JC, Martini JF, Nuss JM, Peto CJ, Tsang TH, Yu P, Johnston S.: Novel Carboxamide-Based Allosteric MEK Inhibitors: Discovery and Optimization Efforts toward XL518 (GDC-0973). ACS Med Chem Lett, Volume 3 (5), 2012 ACS Med Chem Lett 2012 24900486
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Richardson PL, Marin VL, Koeniger SL, Baranczak A,...
Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.
Controlling cellular distribution of drugs with permeability modifying moieties. Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019 Medchemcomm 2019 31303996
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Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM,...
Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM, Rendina AR, Harper TM, Narayanan R, Wong PC, Seiffert D, Wexler RR, Priestley ES.
Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM, Rendina AR, Harper TM, Narayanan R, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, Volume 8 (1), 2017 ACS Med Chem Lett 2017 28105277
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Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C,...
Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.
Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry... Riedmaier AE, DeMent K, Huckle J, Bransford P, Stillhart C, Lloyd R, Alluri R, Basu S, Chen Y, Dhamankar V, Dodd S, Kulkarni P, Olivares-Morales A, Peng CC, Pepin X, Ren X, Tran T, Tistaert C, Heimbach T, Kesisoglou F, Wagner C, Parrott N.: Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective. AAPS J, Volume 22 (6), 2020 AAPS J 2020 32981010
Total substances: 35
Total passive interactions: 35
Total active interactions: 0
Riether D, Zindell R, Wu L, Betageri R, Jenkins JE, Khor S,...
Riether D, Zindell R, Wu L, Betageri R, Jenkins JE, Khor S, Berry AK, Hickey ER, Ermann M, Albrecht C, Ceci A, Gemkow MJ, Nagaraja NV, Romig H, Sauer A, Thomson DS.
Selective CB2 receptor agonists. Part 2: Structure-activity relationship studies and optimization of proline-based... Riether D, Zindell R, Wu L, Betageri R, Jenkins JE, Khor S, Berry AK, Hickey ER, Ermann M, Albrecht C, Ceci A, Gemkow MJ, Nagaraja NV, Romig H, Sauer A, Thomson DS.: Selective CB2 receptor agonists. Part 2: Structure-activity relationship studies and optimization of proline-based compounds. Bioorg Med Chem Lett, Volume 25 (3), 2015 Bioorg Med Chem Lett 2015 25556092
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Riley M. V.
Riley M. V.
A study of the transfer of amino acids across the endothelium of the rabbit cornea Riley M. V.: A study of the transfer of amino acids across the endothelium of the rabbit cornea. Exp. Eye Res., 24, 35–44,1977. Exp. Eye Res. 1977 https://doi.org...
Total substances: 3
Total passive interactions: 3
Total active interactions: 0
Robarge KD, Lee W, Eigenbrot C, Ultsch M, Wiesmann C, Heald...
Robarge KD, Lee W, Eigenbrot C, Ultsch M, Wiesmann C, Heald R, Price S, Hewitt J, Jackson P, Savy P, Burton B, Choo EF, Pang J, Boggs J, Yang A, Yang X, Baumgardner M.
Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to... Robarge KD, Lee W, Eigenbrot C, Ultsch M, Wiesmann C, Heald R, Price S, Hewitt J, Jackson P, Savy P, Burton B, Choo EF, Pang J, Boggs J, Yang A, Yang X, Baumgardner M.: Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg Med Chem Lett, Volume 24 (19), 2014 Bioorg Med Chem Lett 2014 25193232
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Roberti M, Pizzirani D, Recanatini M, Simoni D, Grimaudo S,...
Roberti M, Pizzirani D, Recanatini M, Simoni D, Grimaudo S, Di Cristina A, Abbadessa V, Gebbia N, Tolomeo M.
Identification of a terphenyl derivative that blocks the cell cycle in the G0-G1 phase and induces differentiation in... Roberti M, Pizzirani D, Recanatini M, Simoni D, Grimaudo S, Di Cristina A, Abbadessa V, Gebbia N, Tolomeo M.: Identification of a terphenyl derivative that blocks the cell cycle in the G0-G1 phase and induces differentiation in leukemia cells. J Med Chem, Volume 49 (10), 2006 J Med Chem 2006 16686543
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Roberts LR, Bradley PA, Bunnage ME, England KS, Fairman D,...
Roberts LR, Bradley PA, Bunnage ME, England KS, Fairman D, Fobian YM, Fox DN, Gymer GE, Heasley SE, Molette J, Smith GL, Schmidt MA, Tones MA, Dack KN.
Acidic triazoles as soluble guanylate cyclase stimulators. Roberts LR, Bradley PA, Bunnage ME, England KS, Fairman D, Fobian YM, Fox DN, Gymer GE, Heasley SE, Molette J, Smith GL, Schmidt MA, Tones MA, Dack KN.: Acidic triazoles as soluble guanylate cyclase stimulators. Bioorg Med Chem Lett, Volume 21 (21), 2011 Bioorg Med Chem Lett 2011 21924901
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Roberts LR, Fish PV, Ian Storer R, Whitlock GA.
Roberts LR, Fish PV, Ian Storer R, Whitlock GA.
6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009 Bioorg Med Chem Lett 2009 19414260
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Roberts RS, Sevilla S, Ferrer M, Taltavull J, Hernández B,...
Roberts RS, Sevilla S, Ferrer M, Taltavull J, Hernández B, Segarra V, Gràcia J, Lehner MD, Gavaldà A, Andrés M, Cabedo J, Vilella D, Eichhorn P, Calama E, Carcasona C, Miralpeix M.
4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural... Roberts RS, Sevilla S, Ferrer M, Taltavull J, Hernández B, Segarra V, Gràcia J, Lehner MD, Gavaldà A, Andrés M, Cabedo J, Vilella D, Eichhorn P, Calama E, Carcasona C, Miralpeix M.: 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships. J Med Chem, Volume 61 (6), 2018 J Med Chem 2018 29502405
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Robertson B, Owen D, Stow J, Butler C, Newland C.
Robertson B, Owen D, Stow J, Butler C, Newland C.
Novel effects of dendrotoxin homologues on subtypes of mammalian Kv1 potassium channels expressed in Xenopus oocytes. Robertson B, Owen D, Stow J, Butler C, Newland C.: Novel effects of dendrotoxin homologues on subtypes of mammalian Kv1 potassium channels expressed in Xenopus oocytes. FEBS Lett, Volume 383 (1-2), 1996 FEBS Lett 1996 8612784
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Roche D, Greiner J, Aubertin AM, Vierling P.
Roche D, Greiner J, Aubertin AM, Vierling P.
Synthesis and in vitro biological evaluation of valine-containing prodrugs derived from clinically used HIV-protease... Roche D, Greiner J, Aubertin AM, Vierling P.: Synthesis and in vitro biological evaluation of valine-containing prodrugs derived from clinically used HIV-protease inhibitors. Eur J Med Chem, Volume 43 (7), 2008 Eur J Med Chem 2008 17950955
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Rodríguez Sarmiento RM, Nettekoven MH, Taylor S, Plancher...
Rodríguez Sarmiento RM, Nettekoven MH, Taylor S, Plancher JM, Richter H, Roche O.
Selective naphthalene H(3) receptor inverse agonists with reduced potential to induce phospholipidosis and their... Rodríguez Sarmiento RM, Nettekoven MH, Taylor S, Plancher JM, Richter H, Roche O.: Selective naphthalene H(3) receptor inverse agonists with reduced potential to induce phospholipidosis and their quinoline analogs. Bioorg Med Chem Lett, Volume 19 (15), 2009 Bioorg Med Chem Lett 2009 19524437
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Rodriguez-Berna G, Cabañas MJ, Mangas-Sanjuán V,...
Rodriguez-Berna G, Cabañas MJ, Mangas-Sanjuán V, Mangas-Sanjuán V, Gonzalez-Alvarez M, Gonzalez-Alvarez I, Abasolo I, Schwartz S, Bermejo M, Corma A.
Semisynthesis, cytotoxic activity, and oral availability of new lipophilic 9-substituted camptothecin derivatives. Rodriguez-Berna G, Cabañas MJ, Mangas-Sanjuán V, Mangas-Sanjuán V, Gonzalez-Alvarez M, Gonzalez-Alvarez I, Abasolo I, Schwartz S, Bermejo M, Corma A.: Semisynthesis, cytotoxic activity, and oral availability of new lipophilic 9-substituted camptothecin derivatives. ACS Med Chem Lett, Volume 4 (7), 2013 ACS Med Chem Lett 2013 24900725
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Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C,...
Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.
Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase... Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006 J Med Chem 2006 16420031
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Roecker AJ, Egbertson M, Jones KLG, Gomez R, Kraus RL, Li...
Roecker AJ, Egbertson M, Jones KLG, Gomez R, Kraus RL, Li Y, Koser AJ, Urban MO, Klein R, Clements M, Panigel J, Daley C, Wang J, Finger EN, Majercak J, Santarelli V, Gregan I, Cato M, Filzen T, Jovanovska A, Wang YH, Wang D, Joyce LA, Sherer EC, Peng X, Wang X, Sun H, Coleman PJ, Houghton AK, Layton ME.
Discovery of selective, orally bioavailable, N-linked arylsulfonamide Nav1.7 inhibitors with pain efficacy... Roecker AJ, Egbertson M, Jones KLG, Gomez R, Kraus RL, Li Y, Koser AJ, Urban MO, Klein R, Clements M, Panigel J, Daley C, Wang J, Finger EN, Majercak J, Santarelli V, Gregan I, Cato M, Filzen T, Jovanovska A, Wang YH, Wang D, Joyce LA, Sherer EC, Peng X, Wang X, Sun H, Coleman PJ, Houghton AK, Layton ME.: Discovery of selective, orally bioavailable, N-linked arylsulfonamide Nav1.7 inhibitors with pain efficacy in mice. Bioorg Med Chem Lett, Volume 27 (10), 2017 Bioorg Med Chem Lett 2017 28389149
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Total passive interactions: 0
Total active interactions: 0
Roecker AJ, Layton ME, Pero JE, Kelly MJ, Greshock TJ,...
Roecker AJ, Layton ME, Pero JE, Kelly MJ, Greshock TJ, Kraus RL, Li Y, Klein R, Clements M, Daley C, Jovanovska A, Ballard JE, Wang D, Zhao F, Brunskill APJ, Peng X, Wang X, Sun H, Houghton AK, Burgey CS.
Discovery of Arylsulfonamide Nav1.7 Inhibitors: IVIVC, MPO Methods, and Optimization of Selectivity Profile. Roecker AJ, Layton ME, Pero JE, Kelly MJ, Greshock TJ, Kraus RL, Li Y, Klein R, Clements M, Daley C, Jovanovska A, Ballard JE, Wang D, Zhao F, Brunskill APJ, Peng X, Wang X, Sun H, Houghton AK, Burgey CS.: Discovery of Arylsulfonamide Nav1.7 Inhibitors: IVIVC, MPO Methods, and Optimization of Selectivity Profile. ACS Med Chem Lett, Volume 12 (6), 2021 ACS Med Chem Lett 2021 34141090
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Rohde JM, Karavadhi S, Pragani R, Liu L, Fang Y, Zhang W,...
Rohde JM, Karavadhi S, Pragani R, Liu L, Fang Y, Zhang W, McIver A, Zheng H, Liu Q, Davis MI, Urban DJ, Lee TD, Cheff DM, Hollingshead M, Henderson MJ, Martinez NJ, Brimacombe KR, Yasgar A, Zhao W, Klumpp-Thomas C, Michael S, Covey J, Moore WJ, Stott GM, Li Z, Simeonov A, Jadhav A, Frye S, Hall MD, Shen M, Wang X, Patnaik S, Boxer MB.
Discovery and Optimization of 2H-1λ2-Pyridin-2-one Inhibitors of Mutant Isocitrate Dehydrogenase 1... Rohde JM, Karavadhi S, Pragani R, Liu L, Fang Y, Zhang W, McIver A, Zheng H, Liu Q, Davis MI, Urban DJ, Lee TD, Cheff DM, Hollingshead M, Henderson MJ, Martinez NJ, Brimacombe KR, Yasgar A, Zhao W, Klumpp-Thomas C, Michael S, Covey J, Moore WJ, Stott GM, Li Z, Simeonov A, Jadhav A, Frye S, Hall MD, Shen M, Wang X, Patnaik S, Boxer MB.: Discovery and Optimization of 2H-1λ2-Pyridin-2-one Inhibitors of Mutant Isocitrate Dehydrogenase 1 for the Treatment of Cancer. J Med Chem, Volume 64 (8), 2021 J Med Chem 2021 33822623
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Rolando B, Filieri A, Chegaev K, Lazzarato L, Giorgis M, De...
Rolando B, Filieri A, Chegaev K, Lazzarato L, Giorgis M, De Nardi C, Fruttero R, Martel S, Carrupt PA, Gasco A.
Synthesis physicochemical profile and PAMPA study of new NO-donor edaravone co-drugs. Rolando B, Filieri A, Chegaev K, Lazzarato L, Giorgis M, De Nardi C, Fruttero R, Martel S, Carrupt PA, Gasco A.: Synthesis physicochemical profile and PAMPA study of new NO-donor edaravone co-drugs. Bioorg Med Chem, Volume 20 (2), 2012 Bioorg Med Chem 2012 22222158
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Rolfe A, Yao S, Nguyen TV, Omoto K, Colombo F, Virrankoski...
Rolfe A, Yao S, Nguyen TV, Omoto K, Colombo F, Virrankoski M, Vaillancourt FH, Yu L, Cook A, Reynolds D, Ioannidis S, Zhu P, Larsen NA, Bolduc DM.
Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1. Rolfe A, Yao S, Nguyen TV, Omoto K, Colombo F, Virrankoski M, Vaillancourt FH, Yu L, Cook A, Reynolds D, Ioannidis S, Zhu P, Larsen NA, Bolduc DM.: Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1. ACS Med Chem Lett, Volume 11 (6), 2020 ACS Med Chem Lett 2020 32551016
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Rolt A, Talley DC, Park SB, Hu Z, Dulcey A, Ma C, Irvin P,...
Rolt A, Talley DC, Park SB, Hu Z, Dulcey A, Ma C, Irvin P, Leek M, Wang AQ, Stachulski AV, Xu X, Southall N, Ferrer M, Liang TJ, Marugan JJ.
Discovery and Optimization of a 4-Aminopiperidine Scaffold for Inhibition of Hepatitis C Virus Assembly. Rolt A, Talley DC, Park SB, Hu Z, Dulcey A, Ma C, Irvin P, Leek M, Wang AQ, Stachulski AV, Xu X, Southall N, Ferrer M, Liang TJ, Marugan JJ.: Discovery and Optimization of a 4-Aminopiperidine Scaffold for Inhibition of Hepatitis C Virus Assembly. J Med Chem, Volume 64 (13), 2021 J Med Chem 2021 34184537
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Rombouts FJ, Tovar F, Austin N, Tresadern G, Trabanco AA.
Rombouts FJ, Tovar F, Austin N, Tresadern G, Trabanco AA.
Benzazaborinines as Novel Bioisosteric Replacements of Naphthalene: Propranolol as an Example. Rombouts FJ, Tovar F, Austin N, Tresadern G, Trabanco AA.: Benzazaborinines as Novel Bioisosteric Replacements of Naphthalene: Propranolol as an Example. J Med Chem, Volume 58 (23), 2015 J Med Chem 2015 26565745
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Romero FA, Murray J, Lai KW, Tsui V, Albrecht BK, An L,...
Romero FA, Murray J, Lai KW, Tsui V, Albrecht BK, An L, Beresini MH, de Leon Boenig G, Bronner SM, Chan EW, Chen KX, Chen Z, Choo EF, Clagg K, Clark K, Crawford TD, Cyr P, de Almeida Nagata D, Gascoigne KE, Grogan JL, Hatzivassiliou G, Huang W, Hunsaker TL, Kaufman S, Koenig SG, Li R, Li Y, Liang X, Liao J, Liu W, Ly J, Maher J, Masui C, Merchant M, Ran Y, Taylor AM, Wai J, Wang F, Wei X, Yu D, Zhu BY, Zhu X, Magnuson S.
GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response... Romero FA, Murray J, Lai KW, Tsui V, Albrecht BK, An L, Beresini MH, de Leon Boenig G, Bronner SM, Chan EW, Chen KX, Chen Z, Choo EF, Clagg K, Clark K, Crawford TD, Cyr P, de Almeida Nagata D, Gascoigne KE, Grogan JL, Hatzivassiliou G, Huang W, Hunsaker TL, Kaufman S, Koenig SG, Li R, Li Y, Liang X, Liao J, Liu W, Ly J, Maher J, Masui C, Merchant M, Ran Y, Taylor AM, Wai J, Wang F, Wei X, Yu D, Zhu BY, Zhu X, Magnuson S.: GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J Med Chem, Volume 60 (22), 2017 J Med Chem 2017 28892380
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Rosenquist Å, Samuelsson B, Johansson PO, Cummings MD,...
Rosenquist Å, Samuelsson B, Johansson PO, Cummings MD, Lenz O, Raboisson P, Simmen K, Vendeville S, de Kock H, Nilsson M, Horvath A, Kalmeijer R, de la Rosa G, Beumont-Mauviel M.
Discovery and development of simeprevir (TMC435), a HCV NS3/4A protease inhibitor. Rosenquist Å, Samuelsson B, Johansson PO, Cummings MD, Lenz O, Raboisson P, Simmen K, Vendeville S, de Kock H, Nilsson M, Horvath A, Kalmeijer R, de la Rosa G, Beumont-Mauviel M.: Discovery and development of simeprevir (TMC435), a HCV NS3/4A protease inhibitor. J Med Chem, Volume 57 (5), 2014 J Med Chem 2014 24446688
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Rosenthal AS, Dexheimer TS, Gileadi O, Nguyen GH, Chu WK,...
Rosenthal AS, Dexheimer TS, Gileadi O, Nguyen GH, Chu WK, Hickson ID, Jadhav A, Simeonov A, Maloney DJ.
Synthesis and SAR studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives as potent inhibitors of Bloom... Rosenthal AS, Dexheimer TS, Gileadi O, Nguyen GH, Chu WK, Hickson ID, Jadhav A, Simeonov A, Maloney DJ.: Synthesis and SAR studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives as potent inhibitors of Bloom helicase. Bioorg Med Chem Lett, Volume 23 (20), 2013 Bioorg Med Chem Lett 2013 24012121
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Rosenthal AS, Tanega C, Shen M, Mott BT, Bougie JM, Nguyen...
Rosenthal AS, Tanega C, Shen M, Mott BT, Bougie JM, Nguyen DT, Misteli T, Auld DS, Maloney DJ, Thomas CJ.
Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity... Rosenthal AS, Tanega C, Shen M, Mott BT, Bougie JM, Nguyen DT, Misteli T, Auld DS, Maloney DJ, Thomas CJ.: Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk). Bioorg Med Chem Lett, Volume 21 (10), 2011 Bioorg Med Chem Lett 2011 21450467
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Rosowsky A, Forsch RA, Wright JE.
Rosowsky A, Forsch RA, Wright JE.
Synthesis and in vitro antifolate activity of rotationally restricted aminopterin and methotrexate analogues. Rosowsky A, Forsch RA, Wright JE.: Synthesis and in vitro antifolate activity of rotationally restricted aminopterin and methotrexate analogues. J Med Chem, Volume 47 (27), 2004 J Med Chem 2004 15615544
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Rossi M, Petralla S, Protti M, Baiula M, Kobrlova T, Soukup...
Rossi M, Petralla S, Protti M, Baiula M, Kobrlova T, Soukup O, Spampinato SM, Mercolini L, Monti B, Bolognesi ML.
α-Linolenic Acid-Valproic Acid Conjugates: Toward Single-Molecule Polypharmacology for Multiple Sclerosis. Rossi M, Petralla S, Protti M, Baiula M, Kobrlova T, Soukup O, Spampinato SM, Mercolini L, Monti B, Bolognesi ML.: α-Linolenic Acid-Valproic Acid Conjugates: Toward Single-Molecule Polypharmacology for Multiple Sclerosis. ACS Med Chem Lett, Volume 11 (12), 2020 ACS Med Chem Lett 2020 33329762
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Roth M, Araya JJ, Timmermann BN, Hagenbuch B.
Roth M, Araya JJ, Timmermann BN, Hagenbuch B.
Isolation of modulators of the liver-specific organic anion-transporting polypeptides (OATPs) 1B1 and 1B3 from Rollinia... Roth M, Araya JJ, Timmermann BN, Hagenbuch B.: Isolation of modulators of the liver-specific organic anion-transporting polypeptides (OATPs) 1B1 and 1B3 from Rollinia emarginata Schlecht (Annonaceae). J Pharmacol Exp Ther, Volume 339 (2), 2011 J Pharmacol Exp Ther 2011 21846839
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Roth M, Timmermann BN, Hagenbuch B.
Roth M, Timmermann BN, Hagenbuch B.
Interactions of green tea catechins with organic anion-transporting polypeptides. Roth M, Timmermann BN, Hagenbuch B.: Interactions of green tea catechins with organic anion-transporting polypeptides. Drug Metab Dispos, Volume 39 (5), 2011 Drug Metab Dispos 2011 21278283
Total substances: 2
Total passive interactions: 0
Total active interactions: 6
Rotstein DM, Gabriel SD, Makra F, Filonova L, Gleason S,...
Rotstein DM, Gabriel SD, Makra F, Filonova L, Gleason S, Brotherton-Pleiss C, Setti LQ, Trejo-Martin A, Lee EK, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Weller P, Mau CI.
Spiropiperidine CCR5 antagonists. Rotstein DM, Gabriel SD, Makra F, Filonova L, Gleason S, Brotherton-Pleiss C, Setti LQ, Trejo-Martin A, Lee EK, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Weller P, Mau CI.: Spiropiperidine CCR5 antagonists. Bioorg Med Chem Lett, Volume 19 (18), 2009 Bioorg Med Chem Lett 2009 19674898
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Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F,...
Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.
Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010 Bioorg Med Chem Lett 2010 20457517
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Rotstein DM, Melville CR, Padilla F, Cournoyer D, Lee EK,...
Rotstein DM, Melville CR, Padilla F, Cournoyer D, Lee EK, Lemoine R, Petersen AC, Setti LQ, Wanner J, Chen L, Filonova L, Loughhead DG, Manka J, Lin XF, Gleason S, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Mau CI, Weller P.
Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Rotstein DM, Melville CR, Padilla F, Cournoyer D, Lee EK, Lemoine R, Petersen AC, Setti LQ, Wanner J, Chen L, Filonova L, Loughhead DG, Manka J, Lin XF, Gleason S, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Mau CI, Weller P.: Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (10), 2010 Bioorg Med Chem Lett 2010 20417098
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Rottmann M, McNamara C, Yeung BK, Lee MC, Zou B, Russell B,...
Rottmann M, McNamara C, Yeung BK, Lee MC, Zou B, Russell B, Seitz P, Plouffe DM, Dharia NV, Tan J, Cohen SB, Spencer KR, González-Páez GE, Lakshminarayana SB, Goh A, Suwanarusk R, Jegla T, Schmitt EK, Beck HP, Brun R, Nosten F, Renia L, Dartois V, Keller TH, Fidock DA, Winzeler EA, Diagana TT.
Spiroindolones, a potent compound class for the treatment of malaria. Rottmann M, McNamara C, Yeung BK, Lee MC, Zou B, Russell B, Seitz P, Plouffe DM, Dharia NV, Tan J, Cohen SB, Spencer KR, González-Páez GE, Lakshminarayana SB, Goh A, Suwanarusk R, Jegla T, Schmitt EK, Beck HP, Brun R, Nosten F, Renia L, Dartois V, Keller TH, Fidock DA, Winzeler EA, Diagana TT.: Spiroindolones, a potent compound class for the treatment of malaria. Science, Volume 329 (5996), 2010 Science 2010 20813948
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Roughley SD, Browne H, Macias AT, Benwell K, Brooks T,...
Roughley SD, Browne H, Macias AT, Benwell K, Brooks T, D'Alessandro J, Daniels Z, Dugdale S, Francis G, Gibbons B, Hart T, Haymes T, Kennett G, Lightowler S, Matassova N, Mansell H, Merrett A, Misra A, Padfield A, Parsons R, Pratt R, Robertson A, Simmonite H, Tan K, Walls SB, Wong M.
Fatty acid amide hydrolase inhibitors. 3: tetra-substituted azetidine ureas with in vivo activity. Roughley SD, Browne H, Macias AT, Benwell K, Brooks T, D'Alessandro J, Daniels Z, Dugdale S, Francis G, Gibbons B, Hart T, Haymes T, Kennett G, Lightowler S, Matassova N, Mansell H, Merrett A, Misra A, Padfield A, Parsons R, Pratt R, Robertson A, Simmonite H, Tan K, Walls SB, Wong M.: Fatty acid amide hydrolase inhibitors. 3: tetra-substituted azetidine ureas with in vivo activity. Bioorg Med Chem Lett, Volume 22 (2), 2012 Bioorg Med Chem Lett 2012 22209458
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Rouquet G, Moore DE, Spain M, Allwood DM, Battilocchio C,...
Rouquet G, Moore DE, Spain M, Allwood DM, Battilocchio C, Blakemore DC, Fish PV, Jenkinson S, Jessiman AS, Ley SV, McMurray G, Storer RI.
Design, Synthesis, and Evaluation of Tetrasubstituted Pyridines as Potent 5-HT2C Receptor Agonists. Rouquet G, Moore DE, Spain M, Allwood DM, Battilocchio C, Blakemore DC, Fish PV, Jenkinson S, Jessiman AS, Ley SV, McMurray G, Storer RI.: Design, Synthesis, and Evaluation of Tetrasubstituted Pyridines as Potent 5-HT2C Receptor Agonists. ACS Med Chem Lett, Volume 6 (3), 2015 ACS Med Chem Lett 2015 25815155
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Rowley M, Bristow LJ, Hutson PH.
Rowley M, Bristow LJ, Hutson PH.
Current and novel approaches to the drug treatment of schizophrenia. Rowley M, Bristow LJ, Hutson PH.: Current and novel approaches to the drug treatment of schizophrenia. J Med Chem, Volume 44 (4), 2001 J Med Chem 2001 11170639
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Rübbelke M, Hamilton J, Binder F, Bauer M, King J, Nar H,...
Rübbelke M, Hamilton J, Binder F, Bauer M, King J, Nar H, Zeeb M.
Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein... Rübbelke M, Hamilton J, Binder F, Bauer M, King J, Nar H, Zeeb M.: Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain. J Med Chem, Volume 64 (21), 2021 J Med Chem 2021 34672548
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Rudolph DA, Alcazar J, Ameriks MK, Anton AB, Ao H,...
Rudolph DA, Alcazar J, Ameriks MK, Anton AB, Ao H, Bonaventure P, Carruthers NI, Chrovian CC, De Angelis M, Lord B, Rech JC, Wang Q, Bhattacharya A, Andres JI, Letavic MA.
Novel methyl substituted 1-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanones are P2X7 antagonists. Rudolph DA, Alcazar J, Ameriks MK, Anton AB, Ao H, Bonaventure P, Carruthers NI, Chrovian CC, De Angelis M, Lord B, Rech JC, Wang Q, Bhattacharya A, Andres JI, Letavic MA.: Novel methyl substituted 1-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanones are P2X7 antagonists. Bioorg Med Chem Lett, Volume 25 (16), 2015 Bioorg Med Chem Lett 2015 26099534
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Rudolph J, Aliagas I, Crawford JJ, Mathieu S, Lee W, Chao...
Rudolph J, Aliagas I, Crawford JJ, Mathieu S, Lee W, Chao Q, Dong P, Rouge L, Wang W, Heise C, Murray LJ, La H, Liu Y, Manning G, Diederich F, Hoeflich KP.
Leveraging the Pre-DFG Residue Thr-406 To Obtain High Kinase Selectivity in an Aminopyrazole-Type PAK1 Inhibitor Series. Rudolph J, Aliagas I, Crawford JJ, Mathieu S, Lee W, Chao Q, Dong P, Rouge L, Wang W, Heise C, Murray LJ, La H, Liu Y, Manning G, Diederich F, Hoeflich KP.: Leveraging the Pre-DFG Residue Thr-406 To Obtain High Kinase Selectivity in an Aminopyrazole-Type PAK1 Inhibitor Series. ACS Med Chem Lett, Volume 6 (6), 2015 ACS Med Chem Lett 2015 26101579
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Rudolph J, Murray LJ, Ndubaku CO, O'Brien T, Blackwood E,...
Rudolph J, Murray LJ, Ndubaku CO, O'Brien T, Blackwood E, Wang W, Aliagas I, Gazzard L, Crawford JJ, Drobnick J, Lee W, Zhao X, Hoeflich KP, Favor DA, Dong P, Zhang H, Heise CE, Oh A, Ong CC, La H, Chakravarty P, Chan C, Jakubiak D, Epler J, Ramaswamy S, Vega R, Cain G, Diaz D, Zhong Y.
Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow... Rudolph J, Murray LJ, Ndubaku CO, O'Brien T, Blackwood E, Wang W, Aliagas I, Gazzard L, Crawford JJ, Drobnick J, Lee W, Zhao X, Hoeflich KP, Favor DA, Dong P, Zhang H, Heise CE, Oh A, Ong CC, La H, Chakravarty P, Chan C, Jakubiak D, Epler J, Ramaswamy S, Vega R, Cain G, Diaz D, Zhong Y.: Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J Med Chem, Volume 59 (11), 2016 J Med Chem 2016 27167326
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Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS,...
Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS, McGuire HM, Xiang AX, Sun Z, Ayida BK, Blazel JK, Kim SH, Zhou Y, Han Q, Kissinger CR, Webber SE, Showalter RE, Shah AM, Tsan M, Patel RA, Thompson PA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Khandurina J, Brooks J, Okamoto E, Kirkovsky L.
Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B... Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS, McGuire HM, Xiang AX, Sun Z, Ayida BK, Blazel JK, Kim SH, Zhou Y, Han Q, Kissinger CR, Webber SE, Showalter RE, Shah AM, Tsan M, Patel RA, Thompson PA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Khandurina J, Brooks J, Okamoto E, Kirkovsky L.: Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (22), 2009 Bioorg Med Chem Lett 2009 19818610
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Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q,...
Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.
Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008 Bioorg Med Chem Lett 2008 18722768
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Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel...
Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.
5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009 Bioorg Med Chem Lett 2009 19054673
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Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J,...
Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.
Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008 Bioorg Med Chem Lett 2008 18487044
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Rueeger H, Lueoend R, Machauer R, Veenstra SJ, Holzer P,...
Rueeger H, Lueoend R, Machauer R, Veenstra SJ, Holzer P, Hurth K, Voegtle M, Frederiksen M, Rondeau JM, Tintelnot-Blomley M, Jacobson LH, Staufenbiel M, Laue G, Neumann U.
Synthesis of the Potent, Selective, and Efficacious β-Secretase (BACE1) Inhibitor NB-360. Rueeger H, Lueoend R, Machauer R, Veenstra SJ, Holzer P, Hurth K, Voegtle M, Frederiksen M, Rondeau JM, Tintelnot-Blomley M, Jacobson LH, Staufenbiel M, Laue G, Neumann U.: Synthesis of the Potent, Selective, and Efficacious β-Secretase (BACE1) Inhibitor NB-360. J Med Chem, Volume 64 (8), 2021 J Med Chem 2021 33844524
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Rueeger H, Lueoend R, Machauer R, Veenstra SJ, Jacobson LH,...
Rueeger H, Lueoend R, Machauer R, Veenstra SJ, Jacobson LH, Staufenbiel M, Desrayaud S, Rondeau JM, Möbitz H, Neumann U.
Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1)... Rueeger H, Lueoend R, Machauer R, Veenstra SJ, Jacobson LH, Staufenbiel M, Desrayaud S, Rondeau JM, Möbitz H, Neumann U.: Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid β-peptides. Bioorg Med Chem Lett, Volume 23 (19), 2013 Bioorg Med Chem Lett 2013 23981898
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Rueeger H, Lueoend R, Rogel O, Rondeau JM, Möbitz H,...
Rueeger H, Lueoend R, Rogel O, Rondeau JM, Möbitz H, Machauer R, Jacobson L, Staufenbiel M, Desrayaud S, Neumann U.
Discovery of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1)... Rueeger H, Lueoend R, Rogel O, Rondeau JM, Möbitz H, Machauer R, Jacobson L, Staufenbiel M, Desrayaud S, Neumann U.: Discovery of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure-based design and in vivo reduction of amyloid β-peptides. J Med Chem, Volume 55 (7), 2012 J Med Chem 2012 22380629
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Rueeger H, Rondeau JM, McCarthy C, Möbitz H,...
Rueeger H, Rondeau JM, McCarthy C, Möbitz H, Tintelnot-Blomley M, Neumann U, Desrayaud S.
Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Rueeger H, Rondeau JM, McCarthy C, Möbitz H, Tintelnot-Blomley M, Neumann U, Desrayaud S.: Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Bioorg Med Chem Lett, Volume 21 (7), 2011 Bioorg Med Chem Lett 2011 21388807
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Ruel R, L'Heureux A, Thibeault C, Lapointe P, Martel A,...
Ruel R, L'Heureux A, Thibeault C, Lapointe P, Martel A, Qiao JX, Hua J, Price LA, Wu Q, Chang M, Zheng J, Huang CS, Wexler RR, Rehfuss R, Lam PY.
Potent P2Y1 urea antagonists bearing various cyclic amine scaffolds. Ruel R, L'Heureux A, Thibeault C, Lapointe P, Martel A, Qiao JX, Hua J, Price LA, Wu Q, Chang M, Zheng J, Huang CS, Wexler RR, Rehfuss R, Lam PY.: Potent P2Y1 urea antagonists bearing various cyclic amine scaffolds. Bioorg Med Chem Lett, Volume 23 (24), 2013 Bioorg Med Chem Lett 2013 24269480
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Ruiz JF, Kedziora K, Keogh B, Maguire J, Reilly M, Windle...
Ruiz JF, Kedziora K, Keogh B, Maguire J, Reilly M, Windle H, Kelleher DP, Gilmer JF.
A double prodrug system for colon targeting of benzenesulfonamide COX-2 inhibitors. Ruiz JF, Kedziora K, Keogh B, Maguire J, Reilly M, Windle H, Kelleher DP, Gilmer JF.: A double prodrug system for colon targeting of benzenesulfonamide COX-2 inhibitors. Bioorg Med Chem Lett, Volume 21 (22), 2011 Bioorg Med Chem Lett 2011 21983446
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Ruiz JF, Radics G, Windle H, Serra HO, Simplício AL,...
Ruiz JF, Radics G, Windle H, Serra HO, Simplício AL, Kedziora K, Fallon PG, Kelleher DP, Gilmer JF.
Design, synthesis, and pharmacological effects of a cyclization-activated steroid prodrug for colon targeting in... Ruiz JF, Radics G, Windle H, Serra HO, Simplício AL, Kedziora K, Fallon PG, Kelleher DP, Gilmer JF.: Design, synthesis, and pharmacological effects of a cyclization-activated steroid prodrug for colon targeting in inflammatory bowel disease. J Med Chem, Volume 52 (10), 2009 J Med Chem 2009 19397323
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Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.
Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.
Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell... Ruiz-García A, Lin H, Plá-Delfina JM, Hu M.: Kinetic characterization of secretory transport of a new ciprofloxacin derivative (CNV97100) across Caco-2 cell monolayers. J Pharm Sci, Volume 91 (12), 2511-2519, 2002 J Pharm Sci 2002 12434394
Total substances: 6
Total passive interactions: 12
Total active interactions: 0
Rullo M, Cipolloni M, Catto M, Colliva C, Miniero DV,...
Rullo M, Cipolloni M, Catto M, Colliva C, Miniero DV, Latronico T, de Candia M, Benicchi T, Linusson A, Giacchè N, Altomare CD, Pisani L.
Probing Fluorinated Motifs onto Dual AChE-MAO B Inhibitors: Rational Design, Synthesis, Biological Evaluation, and... Rullo M, Cipolloni M, Catto M, Colliva C, Miniero DV, Latronico T, de Candia M, Benicchi T, Linusson A, Giacchè N, Altomare CD, Pisani L.: Probing Fluorinated Motifs onto Dual AChE-MAO B Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Early-ADME Studies. J Med Chem, Volume 65 (5), 2022 J Med Chem 2022 35195417
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Rutaganira FU, Barks J, Dhason MS, Wang Q, Lopez MS, Long...
Rutaganira FU, Barks J, Dhason MS, Wang Q, Lopez MS, Long S, Radke JB, Jones NG, Maddirala AR, Janetka JW, El Bakkouri M, Hui R, Shokat KM, Sibley LD.
Inhibition of Calcium Dependent Protein Kinase 1 (CDPK1) by Pyrazolopyrimidine Analogs Decreases Establishment and... Rutaganira FU, Barks J, Dhason MS, Wang Q, Lopez MS, Long S, Radke JB, Jones NG, Maddirala AR, Janetka JW, El Bakkouri M, Hui R, Shokat KM, Sibley LD.: Inhibition of Calcium Dependent Protein Kinase 1 (CDPK1) by Pyrazolopyrimidine Analogs Decreases Establishment and Reoccurrence of Central Nervous System Disease by Toxoplasma gondii. J Med Chem, Volume 60 (24), 2017 J Med Chem 2017 28933846
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Rynearson KD, Buckle RN, Barnes KD, Herr RJ, Mayhew NJ,...
Rynearson KD, Buckle RN, Barnes KD, Herr RJ, Mayhew NJ, Paquette WD, Sakwa SA, Nguyen PD, Johnson G, Tanzi RE, Wagner SL.
Design and synthesis of aminothiazole modulators of the gamma-secretase enzyme. Rynearson KD, Buckle RN, Barnes KD, Herr RJ, Mayhew NJ, Paquette WD, Sakwa SA, Nguyen PD, Johnson G, Tanzi RE, Wagner SL.: Design and synthesis of aminothiazole modulators of the gamma-secretase enzyme. Bioorg Med Chem Lett, Volume 26 (16), 2016 Bioorg Med Chem Lett 2016 27426299
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Saadatmand AR, Tadjerpisheh S, Brockmöller J, Tzvetkov MV.
Saadatmand AR, Tadjerpisheh S, Brockmöller J, Tzvetkov MV.
The prototypic pharmacogenetic drug debrisoquine is a substrate of the genetically polymorphic organic cation... Saadatmand AR, Tadjerpisheh S, Brockmöller J, Tzvetkov MV.: The prototypic pharmacogenetic drug debrisoquine is a substrate of the genetically polymorphic organic cation transporter OCT1. Biochem Pharmacol, Volume 83 (10), 2012 Biochem Pharmacol 2012 22342776
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sabatucci JP, Mahaney PE, Leiter J, Johnston G, Burroughs...
Sabatucci JP, Mahaney PE, Leiter J, Johnston G, Burroughs K, Cosmi S, Zhang Y, Ho D, Deecher DC, Trybulski E.
Heterocyclic cycloalkanol ethylamines as norepinephrine reuptake inhibitors. Sabatucci JP, Mahaney PE, Leiter J, Johnston G, Burroughs K, Cosmi S, Zhang Y, Ho D, Deecher DC, Trybulski E.: Heterocyclic cycloalkanol ethylamines as norepinephrine reuptake inhibitors. Bioorg Med Chem Lett, Volume 20 (9), 2010 Bioorg Med Chem Lett 2010 20378347
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sacerdote MG, Szostak JW.
Sacerdote MG, Szostak JW.
Semipermeable lipid bilayers exhibit diastereoselectivity favoring ribose. Sacerdote MG, Szostak JW.: Semipermeable lipid bilayers exhibit diastereoselectivity favoring ribose. Proc Natl Acad Sci U S A, Volume 102 (17), 2005 Proc Natl Acad Sci U S A 2005 15831588
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Safina BS, McKerrall SJ, Sun S, Chen CA, Chowdhury S, Jia...
Safina BS, McKerrall SJ, Sun S, Chen CA, Chowdhury S, Jia Q, Li J, Zenova AY, Andrez JC, Bankar G, Bergeron P, Chang JH, Chang E, Chen J, Dean R, Decker SM, DiPasquale A, Focken T, Hemeon I, Khakh K, Kim A, Kwan R, Lindgren A, Lin S, Maher J, Mezeyova J, Misner D, Nelkenbrecher K, Pang J, Reese R, Shields SD, Sojo L, Sheng T, Verschoof H, Waldbrook M, Wilson MS, Xie Z, Young C, Zabka TS, Hackos DH, Ortwine DF, White AD, Johnson JP, Robinette CL, Dehnhardt CM, Cohen CJ, Sutherlin DP.
Discovery of Acyl-sulfonamide Nav1.7 Inhibitors GDC-0276 and GDC-0310. Safina BS, McKerrall SJ, Sun S, Chen CA, Chowdhury S, Jia Q, Li J, Zenova AY, Andrez JC, Bankar G, Bergeron P, Chang JH, Chang E, Chen J, Dean R, Decker SM, DiPasquale A, Focken T, Hemeon I, Khakh K, Kim A, Kwan R, Lindgren A, Lin S, Maher J, Mezeyova J, Misner D, Nelkenbrecher K, Pang J, Reese R, Shields SD, Sojo L, Sheng T, Verschoof H, Waldbrook M, Wilson MS, Xie Z, Young C, Zabka TS, Hackos DH, Ortwine DF, White AD, Johnson JP, Robinette CL, Dehnhardt CM, Cohen CJ, Sutherlin DP.: Discovery of Acyl-sulfonamide Nav1.7 Inhibitors GDC-0276 and GDC-0310. J Med Chem, Volume 64 (6), 2021 J Med Chem 2021 33682420
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Safo P, Rosenbaum T, Shcherbatko A, Choi DY, Han E,...
Safo P, Rosenbaum T, Shcherbatko A, Choi DY, Han E, Toledo-Aral JJ, Olivera BM, Brehm P, Mandel G.
Distinction among neuronal subtypes of voltage-activated sodium channels by mu-conotoxin PIIIA. Safo P, Rosenbaum T, Shcherbatko A, Choi DY, Han E, Toledo-Aral JJ, Olivera BM, Brehm P, Mandel G.: Distinction among neuronal subtypes of voltage-activated sodium channels by mu-conotoxin PIIIA. J Neurosci, Volume 20 (1), 2000 J Neurosci 2000 10627583
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sager G, Ørvoll EØ, Lysaa RA, Kufareva I, Abagyan R,...
Sager G, Ørvoll EØ, Lysaa RA, Kufareva I, Abagyan R, Ravna AW.
Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies. Sager G, Ørvoll EØ, Lysaa RA, Kufareva I, Abagyan R, Ravna AW.: Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies. J Med Chem, Volume 55 (7), 2012 J Med Chem 2012 22380603
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Sagot E, Jensen AA, Pickering DS, Pu X, Umberti M,...
Sagot E, Jensen AA, Pickering DS, Pu X, Umberti M, Stensbøl TB, Nielsen B, Assaf Z, Aboab B, Bolte J, Gefflaut T, Bunch L.
Chemo-enzymatic synthesis of (2S,4R)-2-amino-4-(3-(2,2-diphenylethylamino)-3-oxopropyl)pentanedioic acid: a novel... Sagot E, Jensen AA, Pickering DS, Pu X, Umberti M, Stensbøl TB, Nielsen B, Assaf Z, Aboab B, Bolte J, Gefflaut T, Bunch L.: Chemo-enzymatic synthesis of (2S,4R)-2-amino-4-(3-(2,2-diphenylethylamino)-3-oxopropyl)pentanedioic acid: a novel selective inhibitor of human excitatory amino acid transporter subtype 2. J Med Chem, Volume 51 (14), 2008 J Med Chem 2008 18578477
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sahi J, Sinz MW, Campbell S, Mireles R, Zheng X, Rose KA,...
Sahi J, Sinz MW, Campbell S, Mireles R, Zheng X, Rose KA, Raeissi S, Hashim MF, Ye Y, de Morais SM, Black C, Tugnait M, Keller LH.
Metabolism and transporter-mediated drug-drug interactions of the endothelin-A receptor antagonist CI-1034. Sahi J, Sinz MW, Campbell S, Mireles R, Zheng X, Rose KA, Raeissi S, Hashim MF, Ye Y, de Morais SM, Black C, Tugnait M, Keller LH.: Metabolism and transporter-mediated drug-drug interactions of the endothelin-A receptor antagonist CI-1034. Chem Biol Interact, Volume 159 (2), 2006 Chem Biol Interact 2006 16356485
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Sahu S, Sharma A, Mishra AK.
Sahu S, Sharma A, Mishra AK.
Multiparametric Sensing of Membrane Bilayer Properties with a Highly Environment-Susceptible Fluorophore. Sahu S, Sharma A, Mishra AK.: Multiparametric Sensing of Membrane Bilayer Properties with a Highly Environment-Susceptible Fluorophore. J Phys Chem B, Volume 122 (29), 7308-7318, 2018 J Phys Chem B 2018 29936830
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Sai Y, Kaneko Y, Ito S, Mitsuoka K, Kato Y, Tamai I,...
Sai Y, Kaneko Y, Ito S, Mitsuoka K, Kato Y, Tamai I, Artursson P, Tsuji A.
Predominant contribution of organic anion transporting polypeptide OATP-B (OATP2B1) to apical uptake of... Sai Y, Kaneko Y, Ito S, Mitsuoka K, Kato Y, Tamai I, Artursson P, Tsuji A.: Predominant contribution of organic anion transporting polypeptide OATP-B (OATP2B1) to apical uptake of estrone-3-sulfate by human intestinal Caco-2 cells. Drug Metab Dispos, Volume 34 (8), 2006 Drug Metab Dispos 2006 16714376
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sairaman A, Cardoso FC, Bispat A, Lewis RJ, Duggan PJ, Tuck...
Sairaman A, Cardoso FC, Bispat A, Lewis RJ, Duggan PJ, Tuck KL.
Synthesis and evaluation of aminobenzothiazoles as blockers of N- and T-type calcium channels. Sairaman A, Cardoso FC, Bispat A, Lewis RJ, Duggan PJ, Tuck KL.: Synthesis and evaluation of aminobenzothiazoles as blockers of N- and T-type calcium channels. Bioorg Med Chem, Volume 26 (11), 2018 Bioorg Med Chem 2018 29622412
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Sakai H, Inoue H, Murata K, Toba T, Shimmyo Y, Narii N,...
Sakai H, Inoue H, Murata K, Toba T, Shimmyo Y, Narii N, Ueno SY, Igawa Y, Takemoto N.
Fibroblast growth factor receptor modulators employing diamines with reduced phospholipidosis-inducing potential. Sakai H, Inoue H, Murata K, Toba T, Shimmyo Y, Narii N, Ueno SY, Igawa Y, Takemoto N.: Fibroblast growth factor receptor modulators employing diamines with reduced phospholipidosis-inducing potential. Bioorg Med Chem, Volume 28 (14), 2020 Bioorg Med Chem 2020 32616184
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Sakai N, Matile S.
Sakai N, Matile S.
Conjugated Polyimine Dynamers as Phase-Sensitive Membrane Probes. Sakai N, Matile S.: Conjugated Polyimine Dynamers as Phase-Sensitive Membrane Probes. J Am Chem Soc, Volume 140 (36), 11438-11443, 2018 J Am Chem Soc 2018 30156837
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Sakakibara R, Sasaki W, Onda Y, Yamaguchi M, Ushirogochi H,...
Sakakibara R, Sasaki W, Onda Y, Yamaguchi M, Ushirogochi H, Hiraga Y, Sato K, Nishio M, Egi Y, Takedomi K, Shimizu H, Ohbora T, Akahoshi F.
Discovery of Novel Pyrazole-Based Selective Aldosterone Synthase (CYP11B2) Inhibitors: A New Template to Coordinate the... Sakakibara R, Sasaki W, Onda Y, Yamaguchi M, Ushirogochi H, Hiraga Y, Sato K, Nishio M, Egi Y, Takedomi K, Shimizu H, Ohbora T, Akahoshi F.: Discovery of Novel Pyrazole-Based Selective Aldosterone Synthase (CYP11B2) Inhibitors: A New Template to Coordinate the Heme-Iron Motif of CYP11B2. J Med Chem, Volume 61 (13), 2018 J Med Chem 2018 29878770
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Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato...
Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.
Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017 Bioorg Med Chem Lett 2017 28408226
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Salado IG, Redondo M, Bello ML, Perez C, Liachko NF,...
Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.
Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014 J Med Chem 2014 24592867
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Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L,...
Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.
Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017 Eur J Med Chem 2017 28688273
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Salem OI, Frotscher M, Scherer C, Neugebauer A, Biemel K,...
Salem OI, Frotscher M, Scherer C, Neugebauer A, Biemel K, Streiber M, Maas R, Hartmann RW.
Novel 5alpha-reductase inhibitors: synthesis, structure-activity studies, and pharmacokinetic profile of... Salem OI, Frotscher M, Scherer C, Neugebauer A, Biemel K, Streiber M, Maas R, Hartmann RW.: Novel 5alpha-reductase inhibitors: synthesis, structure-activity studies, and pharmacokinetic profile of phenoxybenzoylphenyl acetic acids. J Med Chem, Volume 49 (2), 2006 J Med Chem 2006 16420060
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Salgin-Goksen U, Telli G, Erikci A, Dedecengiz E, Tel BC,...
Salgin-Goksen U, Telli G, Erikci A, Dedecengiz E, Tel BC, Kaynak FB, Yelekci K, Ucar G, Gokhan-Kelekci N.
New 2-Pyrazoline and Hydrazone Derivatives as Potent and Selective Monoamine Oxidase A Inhibitors. Salgin-Goksen U, Telli G, Erikci A, Dedecengiz E, Tel BC, Kaynak FB, Yelekci K, Ucar G, Gokhan-Kelekci N.: New 2-Pyrazoline and Hydrazone Derivatives as Potent and Selective Monoamine Oxidase A Inhibitors. J Med Chem, Volume 64 (4), 2021 J Med Chem 2021 33533632
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Salomé C, Salomé-Grosjean E, Stables JP, Kohn H.
Salomé C, Salomé-Grosjean E, Stables JP, Kohn H.
Merging the structural motifs of functionalized amino acids and alpha-aminoamides: compounds with significant... Salomé C, Salomé-Grosjean E, Stables JP, Kohn H.: Merging the structural motifs of functionalized amino acids and alpha-aminoamides: compounds with significant anticonvulsant activities. J Med Chem, Volume 53 (9), 2010 J Med Chem 2010 20394379
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Samadi A, de la Fuente Revenga M, Pérez C, Iriepa I,...
Samadi A, de la Fuente Revenga M, Pérez C, Iriepa I, Moraleda I, Rodríguez-Franco MI, Marco-Contelles J.
Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as... Samadi A, de la Fuente Revenga M, Pérez C, Iriepa I, Moraleda I, Rodríguez-Franco MI, Marco-Contelles J.: Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 67, 2013 Eur J Med Chem 2013 23838422
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Samadi A, Estrada M, Pérez C, Rodríguez-Franco MI, Iriepa...
Samadi A, Estrada M, Pérez C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Marco-Contelles J.
Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis,... Samadi A, Estrada M, Pérez C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Marco-Contelles J.: Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis, biological assessment, and molecular modeling. Eur J Med Chem, Volume 57, 2012 Eur J Med Chem 2012 23078965
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Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF,...
Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF, Hurlburt WW, Sack JS, Vyas DM.
Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR... Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF, Hurlburt WW, Sack JS, Vyas DM.: Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg Med Chem Lett, Volume 20 (17), 2010 Bioorg Med Chem Lett 2010 20675137
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Sampson D, Bricker B, Zhu XY, Peprah K, Lamango NS, Setola...
Sampson D, Bricker B, Zhu XY, Peprah K, Lamango NS, Setola V, Roth BL, Ablordeppey SY.
Further evaluation of the tropane analogs of haloperidol. Sampson D, Bricker B, Zhu XY, Peprah K, Lamango NS, Setola V, Roth BL, Ablordeppey SY.: Further evaluation of the tropane analogs of haloperidol. Bioorg Med Chem Lett, Volume 24 (17), 2014 Bioorg Med Chem Lett 2014 25070422
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sanchez M, McManus OB.
Sanchez M, McManus OB.
Paxilline inhibition of the alpha-subunit of the high-conductance calcium-activated potassium channel. Sanchez M, McManus OB.: Paxilline inhibition of the alpha-subunit of the high-conductance calcium-activated potassium channel. Neuropharmacology, Volume 35 (7), 1996 Neuropharmacology 1996 8938726
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G,...
Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.
7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009 Bioorg Med Chem Lett 2009 19592244
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Sandham DA, Aldcroft C, Baettig U, Barker L, Beer D, Bhalay...
Sandham DA, Aldcroft C, Baettig U, Barker L, Beer D, Bhalay G, Brown Z, Dubois G, Budd D, Bidlake L, Campbell E, Cox B, Everatt B, Harrison D, Leblanc CJ, Manini J, Profit R, Stringer R, Thompson KS, Turner KL, Tweed MF, Walker C, Watson SJ, Whitebread S, Willis J, Williams G, Wilson C.
2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists. Sandham DA, Aldcroft C, Baettig U, Barker L, Beer D, Bhalay G, Brown Z, Dubois G, Budd D, Bidlake L, Campbell E, Cox B, Everatt B, Harrison D, Leblanc CJ, Manini J, Profit R, Stringer R, Thompson KS, Turner KL, Tweed MF, Walker C, Watson SJ, Whitebread S, Willis J, Williams G, Wilson C.: 2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 17 (15), 2007 Bioorg Med Chem Lett 2007 17531480
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Sandham DA, Arnold N, Aschauer H, Bala K, Barker L, Brown...
Sandham DA, Arnold N, Aschauer H, Bala K, Barker L, Brown L, Brown Z, Budd D, Cox B, Docx C, Dubois G, Duggan N, England K, Everatt B, Furegati M, Hall E, Kalthoff F, King A, Leblanc CJ, Manini J, Meingassner J, Profit R, Schmidt A, Simmons J, Sohal B, Stringer R, Thomas M, Turner KL, Walker C, Watson SJ, Westwick J, Willis J, Williams G, Wilson C.
Discovery and characterization of NVP-QAV680, a potent and selective CRTh2 receptor antagonist suitable for clinical... Sandham DA, Arnold N, Aschauer H, Bala K, Barker L, Brown L, Brown Z, Budd D, Cox B, Docx C, Dubois G, Duggan N, England K, Everatt B, Furegati M, Hall E, Kalthoff F, King A, Leblanc CJ, Manini J, Meingassner J, Profit R, Schmidt A, Simmons J, Sohal B, Stringer R, Thomas M, Turner KL, Walker C, Watson SJ, Westwick J, Willis J, Williams G, Wilson C.: Discovery and characterization of NVP-QAV680, a potent and selective CRTh2 receptor antagonist suitable for clinical testing in allergic diseases. Bioorg Med Chem, Volume 21 (21), 2013 Bioorg Med Chem 2013 24021582
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Sanfilippo PJ, Urbanski M, Press JB, Hajos ZG, Shriver DA,...
Sanfilippo PJ, Urbanski M, Press JB, Hajos ZG, Shriver DA, Scott CK.
Synthesis of (aryloxy)alkylamines. 1. Novel antisecretory agents with H+K+-ATPase inhibitory activity. Sanfilippo PJ, Urbanski M, Press JB, Hajos ZG, Shriver DA, Scott CK.: Synthesis of (aryloxy)alkylamines. 1. Novel antisecretory agents with H+K+-ATPase inhibitory activity. J Med Chem, Volume 31 (9), 1988 J Med Chem 1988 2842503
Total substances: 3
Total passive interactions: 0
Total active interactions: 6
Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.
Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.
Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective... Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015 Bioorg Med Chem 2015 25614117
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Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.
Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.
Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent... Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017 Bioorg Med Chem 2017 28487125
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Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C,...
Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.
Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for... Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017 Eur J Med Chem 2017 28279845
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Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L,...
Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.
Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents... Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017 Bioorg Med Chem Lett 2017 29033233
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Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X,...
Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.
Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional... Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017 Bioorg Med Chem Lett 2017 29033232
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Sangameswaran L, Fish LM, Koch BD, Rabert DK, Delgado SG,...
Sangameswaran L, Fish LM, Koch BD, Rabert DK, Delgado SG, Ilnicka M, Jakeman LB, Novakovic S, Wong K, Sze P, Tzoumaka E, Stewart GR, Herman RC, Chan H, Eglen RM, Hunter JC.
A novel tetrodotoxin-sensitive, voltage-gated sodium channel expressed in rat and human dorsal root ganglia. Sangameswaran L, Fish LM, Koch BD, Rabert DK, Delgado SG, Ilnicka M, Jakeman LB, Novakovic S, Wong K, Sze P, Tzoumaka E, Stewart GR, Herman RC, Chan H, Eglen RM, Hunter JC.: A novel tetrodotoxin-sensitive, voltage-gated sodium channel expressed in rat and human dorsal root ganglia. J Biol Chem, Volume 272 (23), 1997 J Biol Chem 1997 9169448
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Santora VJ, Almos TA, Barido R, Basinger J, Bellows CL,...
Santora VJ, Almos TA, Barido R, Basinger J, Bellows CL, Bookser BC, Breitenbucher JG, Broadbent NJ, Cabebe C, Chai CK, Chen M, Chow S, Chung M, Crickard L, Danks AM, Freestone GC, Gitnick D, Gupta V, Hoffmaster C, Hudson AR, Kaplan AP, Kennedy MR, Lee D, Limberis J, Ly K, Mak CC, Masatsugu B, Morse AC, Na J, Neul D, Nikpur J, Peters M, Petroski RE, Renick J, Sebring K, Sevidal S, Tabatabaei A, Wen J, Yan Y, Yoder ZW, Zook D.
Design and Synthesis of Novel and Selective Glycine Transporter-1 (GlyT1) Inhibitors with Memory Enhancing Properties. Santora VJ, Almos TA, Barido R, Basinger J, Bellows CL, Bookser BC, Breitenbucher JG, Broadbent NJ, Cabebe C, Chai CK, Chen M, Chow S, Chung M, Crickard L, Danks AM, Freestone GC, Gitnick D, Gupta V, Hoffmaster C, Hudson AR, Kaplan AP, Kennedy MR, Lee D, Limberis J, Ly K, Mak CC, Masatsugu B, Morse AC, Na J, Neul D, Nikpur J, Peters M, Petroski RE, Renick J, Sebring K, Sevidal S, Tabatabaei A, Wen J, Yan Y, Yoder ZW, Zook D.: Design and Synthesis of Novel and Selective Glycine Transporter-1 (GlyT1) Inhibitors with Memory Enhancing Properties. J Med Chem, Volume 61 (14), 2018 J Med Chem 2018 29886732
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Sarabu R, Bizzarro FT, Corbett WL, Dvorozniak MT, Geng W,...
Sarabu R, Bizzarro FT, Corbett WL, Dvorozniak MT, Geng W, Grippo JF, Haynes NE, Hutchings S, Garofalo L, Guertin KR, Hilliard DW, Kabat M, Kester RF, Ka W, Liang Z, Mahaney PE, Marcus L, Matschinsky FM, Moore D, Racha J, Radinov R, Ren Y, Qi L, Pignatello M, Spence CL, Steele T, Tengi J, Grimsby J.
Discovery of piragliatin--first glucokinase activator studied in type 2 diabetic patients. Sarabu R, Bizzarro FT, Corbett WL, Dvorozniak MT, Geng W, Grippo JF, Haynes NE, Hutchings S, Garofalo L, Guertin KR, Hilliard DW, Kabat M, Kester RF, Ka W, Liang Z, Mahaney PE, Marcus L, Matschinsky FM, Moore D, Racha J, Radinov R, Ren Y, Qi L, Pignatello M, Spence CL, Steele T, Tengi J, Grimsby J.: Discovery of piragliatin--first glucokinase activator studied in type 2 diabetic patients. J Med Chem, Volume 55 (16), 2012 J Med Chem 2012 22809456
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Sarver P, Acker M, Bagdanoff JT, Chen Z, Chen YN, Chan H,...
Sarver P, Acker M, Bagdanoff JT, Chen Z, Chen YN, Chan H, Firestone B, Fodor M, Fortanet J, Hao H, Hentemann M, Kato M, Koenig R, LaBonte LR, Liu G, Liu S, Liu C, McNeill E, Mohseni M, Sendzik M, Stams T, Spence S, Tamez V, Tichkule R, Towler C, Wang H, Wang P, Williams SL, Yu B, LaMarche MJ.
6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors. Sarver P, Acker M, Bagdanoff JT, Chen Z, Chen YN, Chan H, Firestone B, Fodor M, Fortanet J, Hao H, Hentemann M, Kato M, Koenig R, LaBonte LR, Liu G, Liu S, Liu C, McNeill E, Mohseni M, Sendzik M, Stams T, Spence S, Tamez V, Tichkule R, Towler C, Wang H, Wang P, Williams SL, Yu B, LaMarche MJ.: 6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors. J Med Chem, Volume 62 (4), 2019 J Med Chem 2019 30688459
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Sasikumar TK, Qiang L, Burnett DA, Cole D, Xu R, Li H,...
Sasikumar TK, Qiang L, Burnett DA, Cole D, Xu R, Li H, Greenlee WJ, Clader J, Zhang L, Hyde L.
Tricyclic sulfones as orally active gamma-secretase inhibitors: synthesis and structure-activity relationship studies. Sasikumar TK, Qiang L, Burnett DA, Cole D, Xu R, Li H, Greenlee WJ, Clader J, Zhang L, Hyde L.: Tricyclic sulfones as orally active gamma-secretase inhibitors: synthesis and structure-activity relationship studies. Bioorg Med Chem Lett, Volume 20 (12), 2010 Bioorg Med Chem Lett 2010 20493690
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Sasikumar TK, Qiang L, Burnett DA, Greenlee WJ, Li C,...
Sasikumar TK, Qiang L, Burnett DA, Greenlee WJ, Li C, Heimark L, Pramanik B, Grilli M, Bertorelli R, Lozza G, Reggiani A.
Tricyclic thienopyridine-pyrimidones/thienopyrimidine-pyrimidones as orally efficacious mGluR1 antagonists for... Sasikumar TK, Qiang L, Burnett DA, Greenlee WJ, Li C, Heimark L, Pramanik B, Grilli M, Bertorelli R, Lozza G, Reggiani A.: Tricyclic thienopyridine-pyrimidones/thienopyrimidine-pyrimidones as orally efficacious mGluR1 antagonists for neuropathic pain. Bioorg Med Chem Lett, Volume 19 (12), 2009 Bioorg Med Chem Lett 2009 19433355
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Sato I, Morihira K, Inami H, Kubota H, Morokata T, Suzuki...
Sato I, Morihira K, Inami H, Kubota H, Morokata T, Suzuki K, Ohno K, Iura Y, Nitta A, Imaoka T, Takahashi T, Takeuchi M, Ohta M, Tsukamoto S.
Synthesis, biological evaluation, and metabolic stability of acrylamide derivatives as novel CCR3 antagonists. Sato I, Morihira K, Inami H, Kubota H, Morokata T, Suzuki K, Ohno K, Iura Y, Nitta A, Imaoka T, Takahashi T, Takeuchi M, Ohta M, Tsukamoto S.: Synthesis, biological evaluation, and metabolic stability of acrylamide derivatives as novel CCR3 antagonists. Bioorg Med Chem, Volume 17 (16), 2009 Bioorg Med Chem 2009 19620010
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Sato K, Takahagi H, Yoshikawa T, Morimoto S, Takai T,...
Sato K, Takahagi H, Yoshikawa T, Morimoto S, Takai T, Hidaka K, Kamaura M, Kubo O, Adachi R, Ishii T, Maki T, Mochida T, Takekawa S, Nakakariya M, Amano N, Kitazaki T.
Discovery of a Novel Series of N-Phenylindoline-5-sulfonamide Derivatives as Potent, Selective, and Orally Bioavailable... Sato K, Takahagi H, Yoshikawa T, Morimoto S, Takai T, Hidaka K, Kamaura M, Kubo O, Adachi R, Ishii T, Maki T, Mochida T, Takekawa S, Nakakariya M, Amano N, Kitazaki T.: Discovery of a Novel Series of N-Phenylindoline-5-sulfonamide Derivatives as Potent, Selective, and Orally Bioavailable Acyl CoA:Monoacylglycerol Acyltransferase-2 Inhibitors. J Med Chem, Volume 58 (9), 2015 J Med Chem 2015 25897973
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Sato S, Takeo J, Aoyama C, Kawahara H.
Sato S, Takeo J, Aoyama C, Kawahara H.
Na+-glucose cotransporter (SGLT) inhibitory flavonoids from the roots of Sophora flavescens. Sato S, Takeo J, Aoyama C, Kawahara H.: Na+-glucose cotransporter (SGLT) inhibitory flavonoids from the roots of Sophora flavescens. Bioorg Med Chem, Volume 15 (10), 2007 Bioorg Med Chem 2007 17374486
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Total active interactions: 4
Satoh H, Yamashita F, Tsujimoto M, Murakami H, Koyabu N,...
Satoh H, Yamashita F, Tsujimoto M, Murakami H, Koyabu N, Ohtani H, Sawada Y.
Citrus juices inhibit the function of human organic anion-transporting polypeptide OATP-B. Satoh H, Yamashita F, Tsujimoto M, Murakami H, Koyabu N, Ohtani H, Sawada Y.: Citrus juices inhibit the function of human organic anion-transporting polypeptide OATP-B. Drug Metab Dispos, Volume 33 (4), 2005 Drug Metab Dispos 2005 15640378
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Total active interactions: 2
Sattigeri JA, Garg M, Bhateja P, Soni A, Rauf ARA, Gupta M,...
Sattigeri JA, Garg M, Bhateja P, Soni A, Rauf ARA, Gupta M, Deshmukh MS, Jain T, Alekar N, Barman TK, Jha P, Chaira T, Bambal RB, Upadhyay DJ, Nishi T.
Synthesis and evaluation of thiomannosides, potent and orally active FimH inhibitors. Sattigeri JA, Garg M, Bhateja P, Soni A, Rauf ARA, Gupta M, Deshmukh MS, Jain T, Alekar N, Barman TK, Jha P, Chaira T, Bambal RB, Upadhyay DJ, Nishi T.: Synthesis and evaluation of thiomannosides, potent and orally active FimH inhibitors. Bioorg Med Chem Lett, Volume 28 (17), 2018 Bioorg Med Chem Lett 2018 30017316
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Savall BM, Gomez L, Chavez F, Curtis M, Meduna SP, Kearney...
Savall BM, Gomez L, Chavez F, Curtis M, Meduna SP, Kearney A, Dunford P, Cowden J, Thurmond RL, Grice C, Edwards JP.
Tricyclic aminopyrimidine histamine H4 receptor antagonists. Savall BM, Gomez L, Chavez F, Curtis M, Meduna SP, Kearney A, Dunford P, Cowden J, Thurmond RL, Grice C, Edwards JP.: Tricyclic aminopyrimidine histamine H4 receptor antagonists. Bioorg Med Chem Lett, Volume 21 (21), 2011 Bioorg Med Chem Lett 2011 21920744
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Sawa M, Mizuno K, Harada H, Tateishi H, Arai Y, Suzuki S,...
Sawa M, Mizuno K, Harada H, Tateishi H, Arai Y, Suzuki S, Oue M, Tsujiuchi H, Furutani Y, Kato S.
Tryptamine-based human beta3-adrenergic receptor agonists. Part 3: improved oral bioavailability via modification of... Sawa M, Mizuno K, Harada H, Tateishi H, Arai Y, Suzuki S, Oue M, Tsujiuchi H, Furutani Y, Kato S.: Tryptamine-based human beta3-adrenergic receptor agonists. Part 3: improved oral bioavailability via modification of the sulfonamide moiety. Bioorg Med Chem Lett, Volume 15 (4), 2005 Bioorg Med Chem Lett 2005 15686912
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Sawant SD, Lakshma Reddy G, Dar MI, Srinivas M, Gupta G,...
Sawant SD, Lakshma Reddy G, Dar MI, Srinivas M, Gupta G, Sahu PK, Mahajan P, Nargotra A, Singh S, Sharma SC, Tikoo M, Singh G, Vishwakarma RA, Syed SH.
Discovery of novel pyrazolopyrimidinone analogs as potent inhibitors of phosphodiesterase type-5. Sawant SD, Lakshma Reddy G, Dar MI, Srinivas M, Gupta G, Sahu PK, Mahajan P, Nargotra A, Singh S, Sharma SC, Tikoo M, Singh G, Vishwakarma RA, Syed SH.: Discovery of novel pyrazolopyrimidinone analogs as potent inhibitors of phosphodiesterase type-5. Bioorg Med Chem, Volume 23 (9), 2015 Bioorg Med Chem 2015 25801159
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Schade M, Merla B, Lesch B, Wagener M, Timmermanns S,...
Schade M, Merla B, Lesch B, Wagener M, Timmermanns S, Pletinckx K, Hertrampf T.
Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. Schade M, Merla B, Lesch B, Wagener M, Timmermanns S, Pletinckx K, Hertrampf T.: Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J Med Chem, Volume 63 (20), 2020 J Med Chem 2020 32880457
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Scheiper B, Matter H, Steinhagen H, Böcskei Z, Fleury V,...
Scheiper B, Matter H, Steinhagen H, Böcskei Z, Fleury V, McCort G.
Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors. Scheiper B, Matter H, Steinhagen H, Böcskei Z, Fleury V, McCort G.: Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors. Bioorg Med Chem Lett, Volume 21 (18), 2011 Bioorg Med Chem Lett 2011 21840218
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Schenkel LB, DiMauro EF, Nguyen HN, Chakka N, Du B, Foti...
Schenkel LB, DiMauro EF, Nguyen HN, Chakka N, Du B, Foti RS, Guzman-Perez A, Jarosh M, La DS, Ligutti J, Milgram BC, Moyer BD, Peterson EA, Roberts J, Yu VL, Weiss MM.
Discovery of a biarylamide series of potent, state-dependent NaV1.7 inhibitors. Schenkel LB, DiMauro EF, Nguyen HN, Chakka N, Du B, Foti RS, Guzman-Perez A, Jarosh M, La DS, Ligutti J, Milgram BC, Moyer BD, Peterson EA, Roberts J, Yu VL, Weiss MM.: Discovery of a biarylamide series of potent, state-dependent NaV1.7 inhibitors. Bioorg Med Chem Lett, Volume 27 (16), 2017 Bioorg Med Chem Lett 2017 28684121
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Schenkel LB, Olivieri PR, Boezio AA, Deak HL, Emkey R,...
Schenkel LB, Olivieri PR, Boezio AA, Deak HL, Emkey R, Graceffa RF, Gunaydin H, Guzman-Perez A, Lee JH, Teffera Y, Wang W, Youngblood BD, Yu VL, Zhang M, Gavva NR, Lehto SG, Geuns-Meyer S.
Optimization of a Novel Quinazolinone-Based Series of Transient Receptor Potential A1 (TRPA1) Antagonists Demonstrating... Schenkel LB, Olivieri PR, Boezio AA, Deak HL, Emkey R, Graceffa RF, Gunaydin H, Guzman-Perez A, Lee JH, Teffera Y, Wang W, Youngblood BD, Yu VL, Zhang M, Gavva NR, Lehto SG, Geuns-Meyer S.: Optimization of a Novel Quinazolinone-Based Series of Transient Receptor Potential A1 (TRPA1) Antagonists Demonstrating Potent in Vivo Activity. J Med Chem, Volume 59 (6), 2016 J Med Chem 2016 26942860
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Schiemann K, Mallinger A, Wienke D, Esdar C, Poeschke O,...
Schiemann K, Mallinger A, Wienke D, Esdar C, Poeschke O, Busch M, Rohdich F, Eccles SA, Schneider R, Raynaud FI, Czodrowski P, Musil D, Schwarz D, Urbahns K, Blagg J.
Discovery of potent and selective CDK8 inhibitors from an HSP90 pharmacophore. Schiemann K, Mallinger A, Wienke D, Esdar C, Poeschke O, Busch M, Rohdich F, Eccles SA, Schneider R, Raynaud FI, Czodrowski P, Musil D, Schwarz D, Urbahns K, Blagg J.: Discovery of potent and selective CDK8 inhibitors from an HSP90 pharmacophore. Bioorg Med Chem Lett, Volume 26 (5), 2016 Bioorg Med Chem Lett 2016 26852363
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Schiesser S, Chepliaka H, Kollback J, Quennesson T,...
Schiesser S, Chepliaka H, Kollback J, Quennesson T, Czechtizky W, Cox RJ.
N-Trifluoromethyl Amines and Azoles: An Underexplored Functional Group in the Medicinal Chemist's Toolbox. Schiesser S, Chepliaka H, Kollback J, Quennesson T, Czechtizky W, Cox RJ.: N-Trifluoromethyl Amines and Azoles: An Underexplored Functional Group in the Medicinal Chemist's Toolbox. J Med Chem, Volume 63 (21), 2020 J Med Chem 2020 33112606
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Schlapbach A, Revesz L, Pissot Soldermann C, Zoller T,...
Schlapbach A, Revesz L, Pissot Soldermann C, Zoller T, Régnier CH, Bornancin F, Radimerski T, Blank J, Schuffenhauer A, Renatus M, Erbel P, Melkko S, Heng R, Simic O, Endres R, Wartmann M, Quancard J.
N-aryl-piperidine-4-carboxamides as a novel class of potent inhibitors of MALT1 proteolytic activity. Schlapbach A, Revesz L, Pissot Soldermann C, Zoller T, Régnier CH, Bornancin F, Radimerski T, Blank J, Schuffenhauer A, Renatus M, Erbel P, Melkko S, Heng R, Simic O, Endres R, Wartmann M, Quancard J.: N-aryl-piperidine-4-carboxamides as a novel class of potent inhibitors of MALT1 proteolytic activity. Bioorg Med Chem Lett, Volume 28 (12), 2018 Bioorg Med Chem Lett 2018 29759726
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Schmalz F, Kinsella J, Koh SD, Vogalis F, Schneider A,...
Schmalz F, Kinsella J, Koh SD, Vogalis F, Schneider A, Flynn ER, Kenyon JL, Horowitz B.
Molecular identification of a component of delayed rectifier current in gastrointestinal smooth muscles. Schmalz F, Kinsella J, Koh SD, Vogalis F, Schneider A, Flynn ER, Kenyon JL, Horowitz B.: Molecular identification of a component of delayed rectifier current in gastrointestinal smooth muscles. Am J Physiol, Volume 274 (5), 1998 Am J Physiol 1998 9612272
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Schmitt F, Draut H, Biersack B, Schobert R.
Schmitt F, Draut H, Biersack B, Schobert R.
Halogenated naphthochalcones and structurally related naphthopyrazolines with antitumor activity. Schmitt F, Draut H, Biersack B, Schobert R.: Halogenated naphthochalcones and structurally related naphthopyrazolines with antitumor activity. Bioorg Med Chem Lett, Volume 26 (21), 2016 Bioorg Med Chem Lett 2016 27727127
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Schnatbaum K, Schaudt M, Stragies R, Pfeifer JR, Gibson C,...
Schnatbaum K, Schaudt M, Stragies R, Pfeifer JR, Gibson C, Locardi E, Scharn D, Richter U, Kalkhof H, Dinkel K, Zischinsky G.
Novel small molecule bradykinin B1 receptor antagonists. Part 3: hydroxyurea derivatives. Schnatbaum K, Schaudt M, Stragies R, Pfeifer JR, Gibson C, Locardi E, Scharn D, Richter U, Kalkhof H, Dinkel K, Zischinsky G.: Novel small molecule bradykinin B1 receptor antagonists. Part 3: hydroxyurea derivatives. Bioorg Med Chem Lett, Volume 20 (3), 2010 Bioorg Med Chem Lett 2010 20036120
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Schnute ME, O'Brien PM, Nahra J, Morris M, Howard Roark W,...
Schnute ME, O'Brien PM, Nahra J, Morris M, Howard Roark W, Hanau CE, Ruminski PG, Scholten JA, Fletcher TR, Hamper BC, Carroll JN, Patt WC, Shieh HS, Collins B, Pavlovsky AG, Palmquist KE, Aston KW, Hitchcock J, Rogers MD, McDonald J, Johnson AR, Munie GE, Wittwer AJ, Man CF, Settle SL, Nemirovskiy O, Vickery LE, Agawal A, Dyer RD, Sunyer T.
Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13... Schnute ME, O'Brien PM, Nahra J, Morris M, Howard Roark W, Hanau CE, Ruminski PG, Scholten JA, Fletcher TR, Hamper BC, Carroll JN, Patt WC, Shieh HS, Collins B, Pavlovsky AG, Palmquist KE, Aston KW, Hitchcock J, Rogers MD, McDonald J, Johnson AR, Munie GE, Wittwer AJ, Man CF, Settle SL, Nemirovskiy O, Vickery LE, Agawal A, Dyer RD, Sunyer T.: Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg Med Chem Lett, Volume 20 (2), 2010 Bioorg Med Chem Lett 2010 20005097
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Schoenfeld RC, Bourdet DL, Brameld KA, Chin E, de Vicente...
Schoenfeld RC, Bourdet DL, Brameld KA, Chin E, de Vicente J, Fung A, Harris SF, Lee EK, Le Pogam S, Leveque V, Li J, Lui AS, Najera I, Rajyaguru S, Sangi M, Steiner S, Talamas FX, Taygerly JP, Zhao J.
Discovery of a novel series of potent non-nucleoside inhibitors of hepatitis C virus NS5B. Schoenfeld RC, Bourdet DL, Brameld KA, Chin E, de Vicente J, Fung A, Harris SF, Lee EK, Le Pogam S, Leveque V, Li J, Lui AS, Najera I, Rajyaguru S, Sangi M, Steiner S, Talamas FX, Taygerly JP, Zhao J.: Discovery of a novel series of potent non-nucleoside inhibitors of hepatitis C virus NS5B. J Med Chem, Volume 56 (20), 2013 J Med Chem 2013 24069953
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Schoenwald R. D., Ward R. L.
Schoenwald R. D., Ward R. L.
Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients Schoenwald R. D., Ward R. L.: Relationship between Steroid Permeability across Excised Rabbit Cornea and Octanol–Water Partition Coefficients. J. Pharm. Sci., 67, 786–788, 1978. J. Pharm. Sci. 1978 https://doi.org...
Total substances: 11
Total passive interactions: 11
Total active interactions: 0
Schoenwald RD, Houseman JA.
Schoenwald RD, Houseman JA.
Disposition of cyclophosphamide in the rabbit and human cornea. Schoenwald RD, Houseman JA.: Disposition of cyclophosphamide in the rabbit and human cornea. Biopharm Drug Dispos, Volume 3 (3), 231-241, 1982 Biopharm Drug Dispos 1982 7139064
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Schoenwald RD.
Schoenwald RD.
Ocular drug delivery. Pharmacokinetic considerations. Schoenwald RD.: Ocular drug delivery. Pharmacokinetic considerations. Clin Pharmacokinet, Volume 18 (4), 255-269, 1990 Clin Pharmacokinet 1990 2182264
Total substances: 10
Total passive interactions: 10
Total active interactions: 0
Schoepfer J, Jahnke W, Berellini G, Buonamici S, Cotesta S,...
Schoepfer J, Jahnke W, Berellini G, Buonamici S, Cotesta S, Cowan-Jacob SW, Dodd S, Drueckes P, Fabbro D, Gabriel T, Groell JM, Grotzfeld RM, Hassan AQ, Henry C, Iyer V, Jones D, Lombardo F, Loo A, Manley PW, Pellé X, Rummel G, Salem B, Warmuth M, Wylie AA, Zoller T, Marzinzik AL, Furet P.
Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1. Schoepfer J, Jahnke W, Berellini G, Buonamici S, Cotesta S, Cowan-Jacob SW, Dodd S, Drueckes P, Fabbro D, Gabriel T, Groell JM, Grotzfeld RM, Hassan AQ, Henry C, Iyer V, Jones D, Lombardo F, Loo A, Manley PW, Pellé X, Rummel G, Salem B, Warmuth M, Wylie AA, Zoller T, Marzinzik AL, Furet P.: Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1. J Med Chem, Volume 61 (18), 2018 J Med Chem 2018 30137981
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Schou M, Pike VW, Sóvágó J, Gulyás B, Gallagher PT,...
Schou M, Pike VW, Sóvágó J, Gulyás B, Gallagher PT, Dobson DR, Walter MW, Rudyk H, Farde L, Halldin C.
Synthesis of 11C-labelled (R)-OHDMI and CFMME and their evaluation as candidate radioligands for imaging central... Schou M, Pike VW, Sóvágó J, Gulyás B, Gallagher PT, Dobson DR, Walter MW, Rudyk H, Farde L, Halldin C.: Synthesis of 11C-labelled (R)-OHDMI and CFMME and their evaluation as candidate radioligands for imaging central norepinephrine transporters with PET. Bioorg Med Chem, Volume 15 (2), 2007 Bioorg Med Chem 2007 17123820
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Schroeder CE, Yao T, Sotsky J, Smith RA, Roy S, Chu YK, Guo...
Schroeder CE, Yao T, Sotsky J, Smith RA, Roy S, Chu YK, Guo H, Tower NA, Noah JW, McKellip S, Sosa M, Rasmussen L, Smith LH, White EL, Aubé J, Jonsson CB, Chung D, Golden JE.
Development of (E)-2-((1,4-dimethylpiperazin-2-ylidene)amino)-5-nitro-N-phenylbenzamide, ML336: Novel... Schroeder CE, Yao T, Sotsky J, Smith RA, Roy S, Chu YK, Guo H, Tower NA, Noah JW, McKellip S, Sosa M, Rasmussen L, Smith LH, White EL, Aubé J, Jonsson CB, Chung D, Golden JE.: Development of (E)-2-((1,4-dimethylpiperazin-2-ylidene)amino)-5-nitro-N-phenylbenzamide, ML336: Novel 2-amidinophenylbenzamides as potent inhibitors of venezuelan equine encephalitis virus. J Med Chem, Volume 57 (20), 2014 J Med Chem 2014 25244572
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Schulz P, Werner J, Stauber T, Henriksen K, Fendler K.
Schulz P, Werner J, Stauber T, Henriksen K, Fendler K.
The G215R mutation in the Cl-/H+-antiporter ClC-7 found in ADO II osteopetrosis does not abolish function but causes a... Schulz P, Werner J, Stauber T, Henriksen K, Fendler K.: The G215R mutation in the Cl-/H+-antiporter ClC-7 found in ADO II osteopetrosis does not abolish function but causes a severe trafficking defect. PLoS One, Volume 5 (9), 2010 PLoS One 2010 20830208
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Schwab D, Fischer H, Tabatabaei A, Poli S, Huwyler J.
Schwab D, Fischer H, Tabatabaei A, Poli S, Huwyler J.
Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery. Schwab D, Fischer H, Tabatabaei A, Poli S, Huwyler J.: Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery. J Med Chem, Volume 46 (9), 2003 J Med Chem 2003 12699389
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M,...
Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.
Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011 Bioorg Med Chem 2011 21962988
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Schwarz DMC, Williams SK, Dillenburg M, Wagner CR,...
Schwarz DMC, Williams SK, Dillenburg M, Wagner CR, Gestwicki JE.
A Phosphoramidate Strategy Enables Membrane Permeability of a Non-nucleotide Inhibitor of the Prolyl Isomerase Pin1. Schwarz DMC, Williams SK, Dillenburg M, Wagner CR, Gestwicki JE.: A Phosphoramidate Strategy Enables Membrane Permeability of a Non-nucleotide Inhibitor of the Prolyl Isomerase Pin1. ACS Med Chem Lett, Volume 11 (9), 2020 ACS Med Chem Lett 2020 32944137
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Schwochert J, Lao Y, Pye CR, Naylor MR, Desai PV, Gonzalez...
Schwochert J, Lao Y, Pye CR, Naylor MR, Desai PV, Gonzalez Valcarcel IC, Barrett JA, Sawada G, Blanco MJ, Lokey RS.
Stereochemistry Balances Cell Permeability and Solubility in the Naturally Derived Phepropeptin Cyclic Peptides. Schwochert J, Lao Y, Pye CR, Naylor MR, Desai PV, Gonzalez Valcarcel IC, Barrett JA, Sawada G, Blanco MJ, Lokey RS.: Stereochemistry Balances Cell Permeability and Solubility in the Naturally Derived Phepropeptin Cyclic Peptides. ACS Med Chem Lett, Volume 7 (8), 2016 ACS Med Chem Lett 2016 27563399
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Schwoerer AP, Scheel H, Friederich P.
Schwoerer AP, Scheel H, Friederich P.
A Comparative Analysis of Bupivacaine and Ropivacaine Effects on Human Cardiac SCN5A Channels. Schwoerer AP, Scheel H, Friederich P.: A Comparative Analysis of Bupivacaine and Ropivacaine Effects on Human Cardiac SCN5A Channels. Anesth Analg, Volume 120 (6), 2015 Anesth Analg 2015 25692452
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Scott DE, Rooney TPC, Bayle ED, Mirza T, Willems HMG,...
Scott DE, Rooney TPC, Bayle ED, Mirza T, Willems HMG, Clarke JH, Andrews SP, Skidmore J.
Systematic Investigation of the Permeability of Androgen Receptor PROTACs. Scott DE, Rooney TPC, Bayle ED, Mirza T, Willems HMG, Clarke JH, Andrews SP, Skidmore J.: Systematic Investigation of the Permeability of Androgen Receptor PROTACs. ACS Med Chem Lett, Volume 11 (8), 2020 ACS Med Chem Lett 2020 32832021
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Scott JS, Bailey A, Buttar D, Carbajo RJ, Curwen J, Davey...
Scott JS, Bailey A, Buttar D, Carbajo RJ, Curwen J, Davey PRJ, Davies RDM, Degorce SL, Donald C, Gangl E, Greenwood R, Groombridge SD, Johnson T, Lamont S, Lawson M, Lister A, Morrow CJ, Moss TA, Pink JH, Polanski R.
Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists. Scott JS, Bailey A, Buttar D, Carbajo RJ, Curwen J, Davey PRJ, Davies RDM, Degorce SL, Donald C, Gangl E, Greenwood R, Groombridge SD, Johnson T, Lamont S, Lawson M, Lister A, Morrow CJ, Moss TA, Pink JH, Polanski R.: Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists. J Med Chem, Volume 62 (3), 2019 J Med Chem 2019 30640465
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Scott JS, Birch AM, Brocklehurst KJ, Broo A, Brown HS,...
Scott JS, Birch AM, Brocklehurst KJ, Broo A, Brown HS, Butlin RJ, Clarke DS, Davidsson O, Ertan A, Goldberg K, Groombridge SD, Hudson JA, Laber D, Leach AG, Macfaul PA, McKerrecher D, Pickup A, Schofield P, Svensson PH, Sörme P, Teague J.
Use of small-molecule crystal structures to address solubility in a novel series of G protein coupled receptor 119... Scott JS, Birch AM, Brocklehurst KJ, Broo A, Brown HS, Butlin RJ, Clarke DS, Davidsson O, Ertan A, Goldberg K, Groombridge SD, Hudson JA, Laber D, Leach AG, Macfaul PA, McKerrecher D, Pickup A, Schofield P, Svensson PH, Sörme P, Teague J.: Use of small-molecule crystal structures to address solubility in a novel series of G protein coupled receptor 119 agonists: optimization of a lead and in vivo evaluation. J Med Chem, Volume 55 (11), 2012 J Med Chem 2012 22545772
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Scott JS, Bowker SS, Brocklehurst KJ, Brown HS, Clarke DS,...
Scott JS, Bowker SS, Brocklehurst KJ, Brown HS, Clarke DS, Easter A, Ertan A, Goldberg K, Hudson JA, Kavanagh S, Laber D, Leach AG, MacFaul PA, Martin EA, McKerrecher D, Schofield P, Svensson PH, Teague J.
Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists. Scott JS, Bowker SS, Brocklehurst KJ, Brown HS, Clarke DS, Easter A, Ertan A, Goldberg K, Hudson JA, Kavanagh S, Laber D, Leach AG, MacFaul PA, Martin EA, McKerrecher D, Schofield P, Svensson PH, Teague J.: Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists. J Med Chem, Volume 57 (21), 2014 J Med Chem 2014 25286150
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Scott JS, Bowker SS, Deschoolmeester J, Gerhardt S,...
Scott JS, Bowker SS, Deschoolmeester J, Gerhardt S, Hargreaves D, Kilgour E, Lloyd A, Mayers RM, McCoull W, Newcombe NJ, Ogg D, Packer MJ, Rees A, Revill J, Schofield P, Selmi N, Swales JG, Whittamore PR.
Discovery of a potent, selective, and orally bioavailable acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1)... Scott JS, Bowker SS, Deschoolmeester J, Gerhardt S, Hargreaves D, Kilgour E, Lloyd A, Mayers RM, McCoull W, Newcombe NJ, Ogg D, Packer MJ, Rees A, Revill J, Schofield P, Selmi N, Swales JG, Whittamore PR.: Discovery of a potent, selective, and orally bioavailable acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor: discovery of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic acid (AZD4017). J Med Chem, Volume 55 (12), 2012 J Med Chem 2012 22691057
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Scott JS, Brocklehurst KJ, Brown HS, Clarke DS, Coe H,...
Scott JS, Brocklehurst KJ, Brown HS, Clarke DS, Coe H, Groombridge SD, Laber D, MacFaul PA, McKerrecher D, Schofield P.
Conformational restriction in a series of GPR119 agonists: differences in pharmacology between mouse and human. Scott JS, Brocklehurst KJ, Brown HS, Clarke DS, Coe H, Groombridge SD, Laber D, MacFaul PA, McKerrecher D, Schofield P.: Conformational restriction in a series of GPR119 agonists: differences in pharmacology between mouse and human. Bioorg Med Chem Lett, Volume 23 (11), 2013 Bioorg Med Chem Lett 2013 23628336
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Scott JS, Degorce SL, Anjum R, Culshaw J, Davies RDM,...
Scott JS, Degorce SL, Anjum R, Culshaw J, Davies RDM, Davies NL, Dillman KS, Dowling JE, Drew L, Ferguson AD, Groombridge SD, Halsall CT, Hudson JA, Lamont S, Lindsay NA, Marden SK, Mayo MF, Pease JE, Perkins DR, Pink JH, Robb GR, Rosen A, Shen M, McWhirter C, Wu D.
Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for... Scott JS, Degorce SL, Anjum R, Culshaw J, Davies RDM, Davies NL, Dillman KS, Dowling JE, Drew L, Ferguson AD, Groombridge SD, Halsall CT, Hudson JA, Lamont S, Lindsay NA, Marden SK, Mayo MF, Pease JE, Perkins DR, Pink JH, Robb GR, Rosen A, Shen M, McWhirter C, Wu D.: Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J Med Chem, Volume 60 (24), 2017 J Med Chem 2017 29172502
Total substances: 0
Total passive interactions: 0
Total active interactions: 0
Scott JS, deSchoolmeester J, Kilgour E, Mayers RM, Packer...
Scott JS, deSchoolmeester J, Kilgour E, Mayers RM, Packer MJ, Hargreaves D, Gerhardt S, Ogg DJ, Rees A, Selmi N, Stocker A, Swales JG, Whittamore PR.
Novel acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor with reduced acyl glucuronide liability:... Scott JS, deSchoolmeester J, Kilgour E, Mayers RM, Packer MJ, Hargreaves D, Gerhardt S, Ogg DJ, Rees A, Selmi N, Stocker A, Swales JG, Whittamore PR.: Novel acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329). J Med Chem, Volume 55 (22), 2012 J Med Chem 2012 23088558
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Scott JS, Gill AL, Godfrey L, Groombridge SD, Rees A,...
Scott JS, Gill AL, Godfrey L, Groombridge SD, Rees A, Revill J, Schofield P, Sörme P, Stocker A, Swales JG, Whittamore PR.
Optimisation of pharmacokinetic properties in a neutral series of 11β-HSD1 inhibitors. Scott JS, Gill AL, Godfrey L, Groombridge SD, Rees A, Revill J, Schofield P, Sörme P, Stocker A, Swales JG, Whittamore PR.: Optimisation of pharmacokinetic properties in a neutral series of 11β-HSD1 inhibitors. Bioorg Med Chem Lett, Volume 22 (21), 2012 Bioorg Med Chem Lett 2012 23013933
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Scott JS, Moss TA, Balazs A, Barlaam B, Breed J, Carbajo...
Scott JS, Moss TA, Balazs A, Barlaam B, Breed J, Carbajo RJ, Chiarparin E, Davey PRJ, Delpuech O, Fawell S, Fisher DI, Gagrica S, Gangl ET, Grebe T, Greenwood RD, Hande S, Hatoum-Mokdad H, Herlihy K, Hughes S, Hunt TA, Huynh H, Janbon SLM, Johnson T, Kavanagh S, Klinowska T, Lawson M, Lister AS, Marden S, McGinnity DF, Morrow CJ, Nissink JWM, O'Donovan DH, Peng B, Polanski R, Stead DS, Stokes S, Thakur K, Throner SR, Tucker MJ, Varnes J, Wang H, Wilson DM, Wu D, Wu Y, Yang B, Yang W.
Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. Scott JS, Moss TA, Balazs A, Barlaam B, Breed J, Carbajo RJ, Chiarparin E, Davey PRJ, Delpuech O, Fawell S, Fisher DI, Gagrica S, Gangl ET, Grebe T, Greenwood RD, Hande S, Hatoum-Mokdad H, Herlihy K, Hughes S, Hunt TA, Huynh H, Janbon SLM, Johnson T, Kavanagh S, Klinowska T, Lawson M, Lister AS, Marden S, McGinnity DF, Morrow CJ, Nissink JWM, O'Donovan DH, Peng B, Polanski R, Stead DS, Stokes S, Thakur K, Throner SR, Tucker MJ, Varnes J, Wang H, Wilson DM, Wu D, Wu Y, Yang B, Yang W.: Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J Med Chem, Volume 63 (23), 2020 J Med Chem 2020 32910656
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Scott JS, Moss TA, Barlaam B, Davey PRJ, Fairley G, Gangl...
Scott JS, Moss TA, Barlaam B, Davey PRJ, Fairley G, Gangl ET, Greenwood RDR, Hatoum-Mokdad H, Lister AS, Longmire D, Polanski R, Stokes S, Tucker MJ, Varnes JG, Yang B.
Addition of Fluorine and a Late-Stage Functionalization (LSF) of the Oral SERD AZD9833. Scott JS, Moss TA, Barlaam B, Davey PRJ, Fairley G, Gangl ET, Greenwood RDR, Hatoum-Mokdad H, Lister AS, Longmire D, Polanski R, Stokes S, Tucker MJ, Varnes JG, Yang B.: Addition of Fluorine and a Late-Stage Functionalization (LSF) of the Oral SERD AZD9833. ACS Med Chem Lett, Volume 11 (12), 2020 ACS Med Chem Lett 2020 33335676
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Scott JS, Waring MJ.
Scott JS, Waring MJ.
Practical application of ligand efficiency metrics in lead optimisation. Scott JS, Waring MJ.: Practical application of ligand efficiency metrics in lead optimisation. Bioorg Med Chem, Volume 26 (11), 2018 Bioorg Med Chem 2018 29655612
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James S. Scott, Alan M. Birch, Katy J. Brocklehurst, Hayley...
James S. Scott, Alan M. Birch, Katy J. Brocklehurst, Hayley S. Brown, Kristin Goldberg, Sam D. Groombridge, Julian A. Hudson, Andrew G. Leach, Philip A. MacFaul, Darren McKerrecher, Ruth Poultney, Paul Schofield, Per H. Svensson
Optimisation of aqueous solubility in a series of G protein coupled receptor 119 (GPR119) agonists Scott, J. S. et al.: Med. Chem. Commun., 2013,4, 95-100, 10.1039/C2MD20130E MedChemComm 2013 10.1039/C2MD201...
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James S. Scott, Peter Barton, Stuart N. L. Bennett, Joanne...
James S. Scott, Peter Barton, Stuart N. L. Bennett, Joanne deSchoolmeester, Linda Godfrey, Elaine Kilgour, Rachel M. Mayers, Martin J. Packer, Amanda Rees, Paul Schofield, Nidhal Selmi, John G. Swales, Paul R. O. Whittamore
Reduction of acyl glucuronidation in a series of acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1)... Scott, J. S., Peter Barton, Stuart N. L. Bennett, Joanne deSchoolmeester, Linda Godfrey, Elaine Kilgour, Rachel M. Mayers, Martin J. Packer, Amanda Rees, Paul Schofield, Nidhal Selmi, John G. Swales, Paul R. O. Whittamore: Med. Chem. Commun., 2012,3, 1264-1269, 10.1039/C2MD20154B MedChemComm 2012 10.1039/C2MD201...
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James S. Scott, David J. Berry, Hayley S. Brown, Linda...
James S. Scott, David J. Berry, Hayley S. Brown, Linda Buckett, David S. Clarke, Kristin Goldberg, Julian A. Hudson, Andrew G. Leach, Philip A. MacFaul, Piotr Raubo, Graeme Robb
Achieving improved permeability by hydrogen bond donor modulation in a series of MGAT2 inhibitors Scott, James S.; David J. Berry, Hayley S. Brown, Linda Buckett, David S. Clarke, Kristin Goldberg, Julian A. Hudson, Andrew G. Leach, Philip A. MacFaul, Piotr Raubo, Graeme Robb: Achieving improved permeability by hydrogen bond donor modulation in a series of MGAT2 inhibitors. Med. Chem. Commun., 2013,4, 1305-1311, 10.1039/C3MD00156C MedChemComm 2013 10.1039/C3MD001...
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Seal JT, Atkinson SJ, Aylott H, Bamborough P, Chung CW,...
Seal JT, Atkinson SJ, Aylott H, Bamborough P, Chung CW, Copley RCB, Gordon L, Grandi P, Gray JRJ, Harrison LA, Hayhow TG, Lindon M, Messenger C, Michon AM, Mitchell D, Preston A, Prinjha RK, Rioja I, Taylor S, Wall ID, Watson RJ, Woolven JM, Demont EH.
The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and... Seal JT, Atkinson SJ, Aylott H, Bamborough P, Chung CW, Copley RCB, Gordon L, Grandi P, Gray JRJ, Harrison LA, Hayhow TG, Lindon M, Messenger C, Michon AM, Mitchell D, Preston A, Prinjha RK, Rioja I, Taylor S, Wall ID, Watson RJ, Woolven JM, Demont EH.: The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32702236
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Seal JT, Atkinson SJ, Bamborough P, Bassil A, Chung CW,...
Seal JT, Atkinson SJ, Bamborough P, Bassil A, Chung CW, Foley J, Gordon L, Grandi P, Gray JRJ, Harrison LA, Kruger RG, Matteo JJ, McCabe MT, Messenger C, Mitchell D, Phillipou A, Preston A, Prinjha RK, Rianjongdee F, Rioja I, Taylor S, Wall ID, Watson RJ, Woolven JM, Wyce A, Zhang XP, Demont EH.
Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal... Seal JT, Atkinson SJ, Bamborough P, Bassil A, Chung CW, Foley J, Gordon L, Grandi P, Gray JRJ, Harrison LA, Kruger RG, Matteo JJ, McCabe MT, Messenger C, Mitchell D, Phillipou A, Preston A, Prinjha RK, Rianjongdee F, Rioja I, Taylor S, Wall ID, Watson RJ, Woolven JM, Wyce A, Zhang XP, Demont EH.: Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors. J Med Chem, Volume 64 (15), 2021 J Med Chem 2021 34255512
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Sealy JM, Truong AP, Tso L, Probst GD, Aquino J, Hom RK,...
Sealy JM, Truong AP, Tso L, Probst GD, Aquino J, Hom RK, Jagodzinska BM, Dressen D, Wone DW, Brogley L, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Dappen MS, Toth G, Pan H, Ruslim L, Miller J, Bova MP, Sinha S, Quinn KP, Sauer JM.
Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Sealy JM, Truong AP, Tso L, Probst GD, Aquino J, Hom RK, Jagodzinska BM, Dressen D, Wone DW, Brogley L, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Dappen MS, Toth G, Pan H, Ruslim L, Miller J, Bova MP, Sinha S, Quinn KP, Sauer JM.: Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg Med Chem Lett, Volume 19 (22), 2009 Bioorg Med Chem Lett 2009 19811916
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Seithel A, Eberl S, Singer K, Auge D, Heinkele G, Wolf NB,...
Seithel A, Eberl S, Singer K, Auge D, Heinkele G, Wolf NB, Dörje F, Fromm MF, König J.
The influence of macrolide antibiotics on the uptake of organic anions and drugs mediated by OATP1B1 and OATP1B3. Seithel A, Eberl S, Singer K, Auge D, Heinkele G, Wolf NB, Dörje F, Fromm MF, König J.: The influence of macrolide antibiotics on the uptake of organic anions and drugs mediated by OATP1B1 and OATP1B3. Drug Metab Dispos, Volume 35 (5), 2007 Drug Metab Dispos 2007 17296622
Total substances: 5
Total passive interactions: 0
Total active interactions: 6
Seitz W, Geneste H, Backfisch G, Delzer J, Graef C,...
Seitz W, Geneste H, Backfisch G, Delzer J, Graef C, Hornberger W, Kling A, Subkowski T, Zimmermann N.
Design and synthesis of novel potent and selective integrin alphanubeta3 antagonists--novel synthetic routes to... Seitz W, Geneste H, Backfisch G, Delzer J, Graef C, Hornberger W, Kling A, Subkowski T, Zimmermann N.: Design and synthesis of novel potent and selective integrin alphanubeta3 antagonists--novel synthetic routes to isoquinolinone, benzoxazinone, and quinazolinone acetates. Bioorg Med Chem Lett, Volume 18 (2), 2008 Bioorg Med Chem Lett 2008 18068982
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Seleem MA, Disouky AM, Mohammad H, Abdelghany TM, Mancy AS,...
Seleem MA, Disouky AM, Mohammad H, Abdelghany TM, Mancy AS, Bayoumi SA, Elshafeey A, El-Morsy A, Seleem MN, Mayhoub AS.
Second-Generation Phenylthiazole Antibiotics with Enhanced Pharmacokinetic Properties. Seleem MA, Disouky AM, Mohammad H, Abdelghany TM, Mancy AS, Bayoumi SA, Elshafeey A, El-Morsy A, Seleem MN, Mayhoub AS.: Second-Generation Phenylthiazole Antibiotics with Enhanced Pharmacokinetic Properties. J Med Chem, Volume 59 (10), 2016 J Med Chem 2016 27187739
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Sells TB, Chau R, Ecsedy JA, Gershman RE, Hoar K, Huck J,...
Sells TB, Chau R, Ecsedy JA, Gershman RE, Hoar K, Huck J, Janowick DA, Kadambi VJ, LeRoy PJ, Stirling M, Stroud SG, Vos TJ, Weatherhead GS, Wysong DR, Zhang M, Balani SK, Bolen JB, Manfredi MG, Claiborne CF.
MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors. Sells TB, Chau R, Ecsedy JA, Gershman RE, Hoar K, Huck J, Janowick DA, Kadambi VJ, LeRoy PJ, Stirling M, Stroud SG, Vos TJ, Weatherhead GS, Wysong DR, Zhang M, Balani SK, Bolen JB, Manfredi MG, Claiborne CF.: MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors. ACS Med Chem Lett, Volume 6 (6), 2015 ACS Med Chem Lett 2015 26101564
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Selness SR, Devraj RV, Devadas B, Walker JK, Boehm TL,...
Selness SR, Devraj RV, Devadas B, Walker JK, Boehm TL, Durley RC, Shieh H, Xing L, Rucker PV, Jerome KD, Benson AG, Marrufo LD, Madsen HM, Hitchcock J, Owen TJ, Christie L, Promo MA, Hickory BS, Alvira E, Naing W, Blevis-Bal R, Messing D, Yang J, Mao MK, Yalamanchili G, Vonder Embse R, Hirsch J, Saabye M, Bonar S, Webb E, Anderson G, Monahan JB.
Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase. Selness SR, Devraj RV, Devadas B, Walker JK, Boehm TL, Durley RC, Shieh H, Xing L, Rucker PV, Jerome KD, Benson AG, Marrufo LD, Madsen HM, Hitchcock J, Owen TJ, Christie L, Promo MA, Hickory BS, Alvira E, Naing W, Blevis-Bal R, Messing D, Yang J, Mao MK, Yalamanchili G, Vonder Embse R, Hirsch J, Saabye M, Bonar S, Webb E, Anderson G, Monahan JB.: Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase. Bioorg Med Chem Lett, Volume 21 (13), 2011 Bioorg Med Chem Lett 2011 21641211
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Semple G, Lehmann J, Wong A, Ren A, Bruce M, Shin YJ, Sage...
Semple G, Lehmann J, Wong A, Ren A, Bruce M, Shin YJ, Sage CR, Morgan M, Chen WC, Sebring K, Chu ZL, Leonard JN, Al-Shamma H, Grottick AJ, Du F, Liang Y, Demarest K, Jones RM.
Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improved profile. Semple G, Lehmann J, Wong A, Ren A, Bruce M, Shin YJ, Sage CR, Morgan M, Chen WC, Sebring K, Chu ZL, Leonard JN, Al-Shamma H, Grottick AJ, Du F, Liang Y, Demarest K, Jones RM.: Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improved profile. Bioorg Med Chem Lett, Volume 22 (4), 2012 Bioorg Med Chem Lett 2012 22264481
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Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA,...
Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.
Novel HCV NS5B polymerase inhibitors derived from... Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008 Bioorg Med Chem Lett 2008 18442904
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Serra H, Mendes T, Bronze MR, Simplício AL.
Serra H, Mendes T, Bronze MR, Simplício AL.
Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Serra H, Mendes T, Bronze MR, Simplício AL.: Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Bioorg Med Chem, Volume 16 (7), 2008 Bioorg Med Chem 2008 18249545
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Serrano-Wu MH, Coppola GM, Gong Y, Neubert AD, Chatelain R,...
Serrano-Wu MH, Coppola GM, Gong Y, Neubert AD, Chatelain R, Clairmont KB, Commerford R, Cosker T, Daniels T, Hou Y, Jain M, Juedes M, Li L, Mullarkey T, Rocheford E, Sung MJ, Tyler A, Yang Q, Yoon T, Hubbard BK.
Intestinally Targeted Diacylglycerol Acyltransferase 1 (DGAT1) Inhibitors Robustly Suppress Postprandial Triglycerides. Serrano-Wu MH, Coppola GM, Gong Y, Neubert AD, Chatelain R, Clairmont KB, Commerford R, Cosker T, Daniels T, Hou Y, Jain M, Juedes M, Li L, Mullarkey T, Rocheford E, Sung MJ, Tyler A, Yang Q, Yoon T, Hubbard BK.: Intestinally Targeted Diacylglycerol Acyltransferase 1 (DGAT1) Inhibitors Robustly Suppress Postprandial Triglycerides. ACS Med Chem Lett, Volume 3 (5), 2012 ACS Med Chem Lett 2012 24900485
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Shao L, Abolin C, Hewitt MC, Koch P, Varney M.
Shao L, Abolin C, Hewitt MC, Koch P, Varney M.
Derivatives of tramadol for increased duration of effect. Shao L, Abolin C, Hewitt MC, Koch P, Varney M.: Derivatives of tramadol for increased duration of effect. Bioorg Med Chem Lett, Volume 16 (3), 2006 Bioorg Med Chem Lett 2006 16257206
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Shao L, Hewitt M, Jerussi TP, Wu F, Malcolm S, Grover P,...
Shao L, Hewitt M, Jerussi TP, Wu F, Malcolm S, Grover P, Fang K, Koch P, Senanayake C, Bhongle N, Ribe S, Bakale R, Currie M.
In vitro and in vivo evaluation of O-alkyl derivatives of tramadol. Shao L, Hewitt M, Jerussi TP, Wu F, Malcolm S, Grover P, Fang K, Koch P, Senanayake C, Bhongle N, Ribe S, Bakale R, Currie M.: In vitro and in vivo evaluation of O-alkyl derivatives of tramadol. Bioorg Med Chem Lett, Volume 18 (5), 2008 Bioorg Med Chem Lett 2008 18242987
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Shao L, Wang F, Malcolm SC, Ma J, Hewitt MC, Campbell UC,...
Shao L, Wang F, Malcolm SC, Ma J, Hewitt MC, Campbell UC, Bush LR, Spicer NA, Engel SR, Saraswat LD, Hardy LW, Koch P, Schreiber R, Spear KL, Varney MA.
Synthesis and pharmacological evaluation of 4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalenyl amines as... Shao L, Wang F, Malcolm SC, Ma J, Hewitt MC, Campbell UC, Bush LR, Spicer NA, Engel SR, Saraswat LD, Hardy LW, Koch P, Schreiber R, Spear KL, Varney MA.: Synthesis and pharmacological evaluation of 4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalenyl amines as triple reuptake inhibitors. Bioorg Med Chem, Volume 19 (1), 2011 Bioorg Med Chem 2011 21093273
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sharma P, Butters CJ, Smith V, Elsby R, Surry D.
Sharma P, Butters CJ, Smith V, Elsby R, Surry D.
Prediction of the in vivo OATP1B1-mediated drug-drug interaction potential of an investigational drug against a range... Sharma P, Butters CJ, Smith V, Elsby R, Surry D.: Prediction of the in vivo OATP1B1-mediated drug-drug interaction potential of an investigational drug against a range of statins. Eur J Pharm Sci, Volume 47 (1), 2012 Eur J Pharm Sci 2012 22538052
Total substances: 9
Total passive interactions: 0
Total active interactions: 9
Sharma P, Holmes VE, Elsby R, Lambert C, Surry D.
Sharma P, Holmes VE, Elsby R, Lambert C, Surry D.
Validation of cell-based OATP1B1 assays to assess drug transport and the potential for drug-drug interaction to support... Sharma P, Holmes VE, Elsby R, Lambert C, Surry D.: Validation of cell-based OATP1B1 assays to assess drug transport and the potential for drug-drug interaction to support regulatory submissions. Xenobiotica, Volume 40 (1), 2010 Xenobiotica 2010 19919292
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Shaw D, Hollingworth G, Soldermann N, Sprague E, Schuler W,...
Shaw D, Hollingworth G, Soldermann N, Sprague E, Schuler W, Vangrevelinghe E, Duggan N, Thomas M, Kosaka T, Waters N, van Eis MJ.
Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension. Shaw D, Hollingworth G, Soldermann N, Sprague E, Schuler W, Vangrevelinghe E, Duggan N, Thomas M, Kosaka T, Waters N, van Eis MJ.: Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension. Bioorg Med Chem Lett, Volume 24 (20), 2014 Bioorg Med Chem Lett 2014 25248678
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Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO,...
Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.
Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using... Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018 J Med Chem 2018 29323899
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Shaw SA, Vokits BP, Dilger AK, Viet A, Clark CG, Abell LM,...
Shaw SA, Vokits BP, Dilger AK, Viet A, Clark CG, Abell LM, Locke GA, Duke G, Kopcho LM, Dongre A, Gao J, Krishnakumar A, Jusuf S, Khan J, Spronk SA, Basso MD, Zhao L, Cantor GH, Onorato JM, Wexler RR, Duclos F, Kick EK.
Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible... Shaw SA, Vokits BP, Dilger AK, Viet A, Clark CG, Abell LM, Locke GA, Duke G, Kopcho LM, Dongre A, Gao J, Krishnakumar A, Jusuf S, Khan J, Spronk SA, Basso MD, Zhao L, Cantor GH, Onorato JM, Wexler RR, Duclos F, Kick EK.: Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg Med Chem, Volume 28 (22), 2020 Bioorg Med Chem 2020 33007547
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Shaya J, Collot M, Bénailly F, Mahmoud N, Mély Y, Michel...
Shaya J, Collot M, Bénailly F, Mahmoud N, Mély Y, Michel BY, Klymchenko AS, Burger A.
Turn-on Fluorene Push-Pull Probes with High Brightness and Photostability for Visualizing Lipid Order in Biomembranes. Shaya J, Collot M, Bénailly F, Mahmoud N, Mély Y, Michel BY, Klymchenko AS, Burger A.: Turn-on Fluorene Push-Pull Probes with High Brightness and Photostability for Visualizing Lipid Order in Biomembranes. ACS Chem Biol, Volume 12 (12), 3022-3030, 2017 ACS Chem Biol 2017 29053920
Total substances: 3
Total passive interactions: 3
Total active interactions: 0
Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI,...
Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.
Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological... Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017 Bioorg Med Chem 2017 27776888
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Sheets PL, Heers C, Stoehr T, Cummins TR.
Sheets PL, Heers C, Stoehr T, Cummins TR.
Differential block of sensory neuronal voltage-gated sodium channels by lacosamide... Sheets PL, Heers C, Stoehr T, Cummins TR.: Differential block of sensory neuronal voltage-gated sodium channels by lacosamide [(2R)-2-(acetylamino)-N-benzyl-3-methoxypropanamide], lidocaine, and carbamazepine. J Pharmacol Exp Ther, Volume 326 (1), 2008 J Pharmacol Exp Ther 2008 18378801
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Shen D, Hensley K, Denton TT.
Shen D, Hensley K, Denton TT.
Multiple-step, one-pot synthesis of 2-substituted-3-phosphono-1-thia-4-aza-2-cyclohexene-5-carboxylates and their... Shen D, Hensley K, Denton TT.: Multiple-step, one-pot synthesis of 2-substituted-3-phosphono-1-thia-4-aza-2-cyclohexene-5-carboxylates and their corresponding ethyl esters. Bioorg Med Chem Lett, Volume 28 (4), 2018 Bioorg Med Chem Lett 2018 29398540
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Shen D, Wang X, Li X, Zhang X, Yao Z, Dibble S, Dong XP, Yu...
Shen D, Wang X, Li X, Zhang X, Yao Z, Dibble S, Dong XP, Yu T, Lieberman AP, Showalter HD, Xu H.
Lipid storage disorders block lysosomal trafficking by inhibiting a TRP channel and lysosomal calcium release. Shen D, Wang X, Li X, Zhang X, Yao Z, Dibble S, Dong XP, Yu T, Lieberman AP, Showalter HD, Xu H.: Lipid storage disorders block lysosomal trafficking by inhibiting a TRP channel and lysosomal calcium release. Nat Commun, Volume 3, 2012 Nat Commun 2012 22415822
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Shen H, Lee FY, Gan J.
Shen H, Lee FY, Gan J.
Ixabepilone, a novel microtubule-targeting agent for breast cancer, is a substrate for P-glycoprotein (P-gp/MDR1/ABCB1)... Shen H, Lee FY, Gan J.: Ixabepilone, a novel microtubule-targeting agent for breast cancer, is a substrate for P-glycoprotein (P-gp/MDR1/ABCB1) but not breast cancer resistance protein (BCRP/ABCG2). J Pharmacol Exp Ther, Volume 337 (2), 2011 J Pharmacol Exp Ther 2011 21262849
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Shen W, Kim JS, Kish PE, Zhang J, Mitchell S, Gentry BG,...
Shen W, Kim JS, Kish PE, Zhang J, Mitchell S, Gentry BG, Breitenbach JM, Drach JC, Hilfinger J.
Design and synthesis of vidarabine prodrugs as antiviral agents. Shen W, Kim JS, Kish PE, Zhang J, Mitchell S, Gentry BG, Breitenbach JM, Drach JC, Hilfinger J.: Design and synthesis of vidarabine prodrugs as antiviral agents. Bioorg Med Chem Lett, Volume 19 (3), 2009 Bioorg Med Chem Lett 2009 19097789
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Sheng XC, Appleby T, Butler T, Cai R, Chen X, Cho A, Clarke...
Sheng XC, Appleby T, Butler T, Cai R, Chen X, Cho A, Clarke MO, Cottell J, Delaney WE, Doerffler E, Link J, Ji M, Pakdaman R, Pyun HJ, Wu Q, Xu J, Kim CU.
Discovery of GS-9451: an acid inhibitor of the hepatitis C virus NS3/4A protease. Sheng XC, Appleby T, Butler T, Cai R, Chen X, Cho A, Clarke MO, Cottell J, Delaney WE, Doerffler E, Link J, Ji M, Pakdaman R, Pyun HJ, Wu Q, Xu J, Kim CU.: Discovery of GS-9451: an acid inhibitor of the hepatitis C virus NS3/4A protease. Bioorg Med Chem Lett, Volume 22 (7), 2012 Bioorg Med Chem Lett 2012 22366653
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Sheng XC, Casarez A, Cai R, Clarke MO, Chen X, Cho A,...
Sheng XC, Casarez A, Cai R, Clarke MO, Chen X, Cho A, Delaney WE, Doerffler E, Ji M, Mertzman M, Pakdaman R, Pyun HJ, Rowe T, Wu Q, Xu J, Kim CU.
Discovery of GS-9256: a novel phosphinic acid derived inhibitor of the hepatitis C virus NS3/4A protease with potent... Sheng XC, Casarez A, Cai R, Clarke MO, Chen X, Cho A, Delaney WE, Doerffler E, Ji M, Mertzman M, Pakdaman R, Pyun HJ, Rowe T, Wu Q, Xu J, Kim CU.: Discovery of GS-9256: a novel phosphinic acid derived inhibitor of the hepatitis C virus NS3/4A protease with potent clinical activity. Bioorg Med Chem Lett, Volume 22 (3), 2012 Bioorg Med Chem Lett 2012 22244938
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Sheng XC, Pyun HJ, Chaudhary K, Wang J, Doerffler E, Fleury...
Sheng XC, Pyun HJ, Chaudhary K, Wang J, Doerffler E, Fleury M, McMurtrie D, Chen X, Delaney WE, Kim CU.
Discovery of novel phosphonate derivatives as hepatitis C virus NS3 protease inhibitors. Sheng XC, Pyun HJ, Chaudhary K, Wang J, Doerffler E, Fleury M, McMurtrie D, Chen X, Delaney WE, Kim CU.: Discovery of novel phosphonate derivatives as hepatitis C virus NS3 protease inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009 Bioorg Med Chem Lett 2009 19477126
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Shepard RL, Winter MA, Hsaio SC, Pearce HL, Beck WT,...
Shepard RL, Winter MA, Hsaio SC, Pearce HL, Beck WT, Dantzig AH.
Effect of modulators on the ATPase activity and vanadate nucleotide trapping of human P-glycoprotein. Shepard RL, Winter MA, Hsaio SC, Pearce HL, Beck WT, Dantzig AH.: Effect of modulators on the ATPase activity and vanadate nucleotide trapping of human P-glycoprotein. Biochem Pharmacol, Volume 56 (6), 1998 Biochem Pharmacol 1998 9751076
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt...
Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.
Discovery of... Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of N-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020 J Med Chem 2020 32324999
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Shi J, Van de Water R, Hong K, Lamer RB, Weichert KW,...
Shi J, Van de Water R, Hong K, Lamer RB, Weichert KW, Sandoval CM, Kasibhatla SR, Boehm MF, Chao J, Lundgren K, Timple N, Lough R, Ibanez G, Boykin C, Burrows FJ, Kehry MR, Yun TJ, Harning EK, Ambrose C, Thompson J, Bixler SA, Dunah A, Snodgrass-Belt P, Arndt J, Enyedy IJ, Li P, Hong VS, McKenzie A, Biamonte MA.
EC144 is a potent inhibitor of the heat shock protein 90. Shi J, Van de Water R, Hong K, Lamer RB, Weichert KW, Sandoval CM, Kasibhatla SR, Boehm MF, Chao J, Lundgren K, Timple N, Lough R, Ibanez G, Boykin C, Burrows FJ, Kehry MR, Yun TJ, Harning EK, Ambrose C, Thompson J, Bixler SA, Dunah A, Snodgrass-Belt P, Arndt J, Enyedy IJ, Li P, Hong VS, McKenzie A, Biamonte MA.: EC144 is a potent inhibitor of the heat shock protein 90. J Med Chem, Volume 55 (17), 2012 J Med Chem 2012 22938030
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Shi Q, Tebben A, Dyckman AJ, Li H, Liu C, Lin J, Spergel S,...
Shi Q, Tebben A, Dyckman AJ, Li H, Liu C, Lin J, Spergel S, Burke JR, McIntyre KW, Olini GC, Strnad J, Surti N, Muckelbauer JK, Chang C, An Y, Cheng L, Ruan Q, Leftheris K, Carter PH, Tino J, De Lucca GV.
Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases. Shi Q, Tebben A, Dyckman AJ, Li H, Liu C, Lin J, Spergel S, Burke JR, McIntyre KW, Olini GC, Strnad J, Surti N, Muckelbauer JK, Chang C, An Y, Cheng L, Ruan Q, Leftheris K, Carter PH, Tino J, De Lucca GV.: Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases. Bioorg Med Chem Lett, Volume 24 (9), 2014 Bioorg Med Chem Lett 2014 24685542
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Shi Q, Xiao Z, Yang MG, Marcoux D, Cherney RJ, Yip S, Li P,...
Shi Q, Xiao Z, Yang MG, Marcoux D, Cherney RJ, Yip S, Li P, Wu DR, Weigelt CA, Sack J, Khan J, Ruzanov M, Wang J, Yarde M, Ellen Cvijic M, Li S, Shuster DJ, Xie J, Sherry T, Obermeier M, Fura A, Stefanski K, Cornelius G, Chacko S, Shu YZ, Khandelwal P, Hynes J, Tino JA, Salter-Cid L, Denton R, Zhao Q, Dhar TGM.
Tricyclic sulfones as potent, selective and efficacious RORγt inverse agonists - Exploring C6 and C8 SAR using... Shi Q, Xiao Z, Yang MG, Marcoux D, Cherney RJ, Yip S, Li P, Wu DR, Weigelt CA, Sack J, Khan J, Ruzanov M, Wang J, Yarde M, Ellen Cvijic M, Li S, Shuster DJ, Xie J, Sherry T, Obermeier M, Fura A, Stefanski K, Cornelius G, Chacko S, Shu YZ, Khandelwal P, Hynes J, Tino JA, Salter-Cid L, Denton R, Zhao Q, Dhar TGM.: Tricyclic sulfones as potent, selective and efficacious RORγt inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization. Bioorg Med Chem Lett, Volume 30 (23), 2020 Bioorg Med Chem Lett 2020 32882417
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Shi Y, O'Connor SP, Sitkoff D, Zhang J, Shi M, Bisaha SN,...
Shi Y, O'Connor SP, Sitkoff D, Zhang J, Shi M, Bisaha SN, Wang Y, Li C, Ruan Z, Lawrence RM, Klei HE, Kish K, Liu EC, Seiler SM, Schweizer L, Steinbacher TE, Schumacher WA, Robl JA, Macor JE, Atwal KS, Stein PD.
Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors. Shi Y, O'Connor SP, Sitkoff D, Zhang J, Shi M, Bisaha SN, Wang Y, Li C, Ruan Z, Lawrence RM, Klei HE, Kish K, Liu EC, Seiler SM, Schweizer L, Steinbacher TE, Schumacher WA, Robl JA, Macor JE, Atwal KS, Stein PD.: Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors. Bioorg Med Chem Lett, Volume 21 (24), 2011 Bioorg Med Chem Lett 2011 22041058
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Shi Y, Wang Y, Meng W, Brigance RP, Ryono DE, Bolton S,...
Shi Y, Wang Y, Meng W, Brigance RP, Ryono DE, Bolton S, Zhang H, Chen S, Smirk R, Tao S, Tino JA, Williams KN, Sulsky R, Nielsen L, Ellsworth B, Wong MKY, Sun JH, Leith LW, Sun D, Wu DR, Gupta A, Rampulla R, Mathur A, Chen BC, Wang A, Fuentes-Catanio HG, Kunselman L, Cap M, Zalaznick J, Ma X, Liu H, Taylor JR, Zebo R, Jones B, Kalinowski S, Swartz J, Staal A, O'Malley K, Kopcho L, Muckelbauer JK, Krystek SR, Spronk SA, Marcinkeviciene J, Everlof G, Chen XQ, Xu C, Li YX, Langish RA, Yang Y, Wang Q, Behnia K, Fura A, Janovitz EB, Pannacciulli N, Griffen S, Zinker BA, Krupinski J, Kirby M, Whaley J, Zahler R, Barrish JC, Robl JA, Cheng PTW.
Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl... Shi Y, Wang Y, Meng W, Brigance RP, Ryono DE, Bolton S, Zhang H, Chen S, Smirk R, Tao S, Tino JA, Williams KN, Sulsky R, Nielsen L, Ellsworth B, Wong MKY, Sun JH, Leith LW, Sun D, Wu DR, Gupta A, Rampulla R, Mathur A, Chen BC, Wang A, Fuentes-Catanio HG, Kunselman L, Cap M, Zalaznick J, Ma X, Liu H, Taylor JR, Zebo R, Jones B, Kalinowski S, Swartz J, Staal A, O'Malley K, Kopcho L, Muckelbauer JK, Krystek SR, Spronk SA, Marcinkeviciene J, Everlof G, Chen XQ, Xu C, Li YX, Langish RA, Yang Y, Wang Q, Behnia K, Fura A, Janovitz EB, Pannacciulli N, Griffen S, Zinker BA, Krupinski J, Kirby M, Whaley J, Zahler R, Barrish JC, Robl JA, Cheng PTW.: Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1H-pyrazol-1-yl)methyl)phosphonate (BMS-820132). J Med Chem, Volume 65 (5), 2022 J Med Chem 2022 35179904
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Shidore M, Machhi J, Shingala K, Murumkar P, Sharma MK,...
Shidore M, Machhi J, Shingala K, Murumkar P, Sharma MK, Agrawal N, Tripathi A, Parikh Z, Pillai P, Yadav MR.
Benzylpiperidine-Linked Diarylthiazoles as Potential Anti-Alzheimer's Agents: Synthesis and Biological Evaluation. Shidore M, Machhi J, Shingala K, Murumkar P, Sharma MK, Agrawal N, Tripathi A, Parikh Z, Pillai P, Yadav MR.: Benzylpiperidine-Linked Diarylthiazoles as Potential Anti-Alzheimer's Agents: Synthesis and Biological Evaluation. J Med Chem, Volume 59 (12), 2016 J Med Chem 2016 27253679
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Shimamoto K, Otsubo Y, Shigeri Y, Yasuda-Kamatani Y, Satoh...
Shimamoto K, Otsubo Y, Shigeri Y, Yasuda-Kamatani Y, Satoh M, Kaneko S, Nakagawa T.
Characterization of the tritium-labeled analog of L-threo-beta-benzyloxyaspartate binding to glutamate transporters. Shimamoto K, Otsubo Y, Shigeri Y, Yasuda-Kamatani Y, Satoh M, Kaneko S, Nakagawa T.: Characterization of the tritium-labeled analog of L-threo-beta-benzyloxyaspartate binding to glutamate transporters. Mol Pharmacol, Volume 71 (1), 2007 Mol Pharmacol 2007 17047096
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Shimizu H, Tanaka S, Toki T, Yasumatsu I, Akimoto T,...
Shimizu H, Tanaka S, Toki T, Yasumatsu I, Akimoto T, Morishita K, Yamasaki T, Yasukochi T, Iimura S.
Discovery of imidazo[1,2-b]pyridazine derivatives as IKKbeta inhibitors. Part 1: Hit-to-lead study and... Shimizu H, Tanaka S, Toki T, Yasumatsu I, Akimoto T, Morishita K, Yamasaki T, Yasukochi T, Iimura S.: Discovery of imidazo[1,2-b]pyridazine derivatives as IKKbeta inhibitors. Part 1: Hit-to-lead study and structure-activity relationship. Bioorg Med Chem Lett, Volume 20 (17), 2010 Bioorg Med Chem Lett 2010 20675134
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Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T,...
Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T, Yasukochi T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.
Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 3: exploration of effective compounds in arthritis... Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T, Yasukochi T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 3: exploration of effective compounds in arthritis models. Bioorg Med Chem Lett, Volume 21 (15), 2011 Bioorg Med Chem Lett 2011 21705219
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Shimizu H, Yasumatsu I, Hamada T, Yoneda Y, Yamasaki T,...
Shimizu H, Yasumatsu I, Hamada T, Yoneda Y, Yamasaki T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.
Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 2: improvement of potency in vitro and in vivo. Shimizu H, Yasumatsu I, Hamada T, Yoneda Y, Yamasaki T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 2: improvement of potency in vitro and in vivo. Bioorg Med Chem Lett, Volume 21 (3), 2011 Bioorg Med Chem Lett 2011 21232950
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Shimizu M, Fuse K, Okudaira K, Nishigaki R, Maeda K,...
Shimizu M, Fuse K, Okudaira K, Nishigaki R, Maeda K, Kusuhara H, Sugiyama Y.
Contribution of OATP (organic anion-transporting polypeptide) family transporters to the hepatic uptake of fexofenadine... Shimizu M, Fuse K, Okudaira K, Nishigaki R, Maeda K, Kusuhara H, Sugiyama Y.: Contribution of OATP (organic anion-transporting polypeptide) family transporters to the hepatic uptake of fexofenadine in humans. Drug Metab Dispos, Volume 33 (10), 2005 Drug Metab Dispos 2005 16014768
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Total active interactions: 1
Shimokawa Y, Akao Y, Hirasawa Y, Awang K, Hadi AH, Sato S,...
Shimokawa Y, Akao Y, Hirasawa Y, Awang K, Hadi AH, Sato S, Aoyama C, Takeo J, Shiro M, Morita H.
Gneyulins A and B, stilbene trimers, and noidesols A and B, dihydroflavonol-C-glucosides, from the bark of Gnetum... Shimokawa Y, Akao Y, Hirasawa Y, Awang K, Hadi AH, Sato S, Aoyama C, Takeo J, Shiro M, Morita H.: Gneyulins A and B, stilbene trimers, and noidesols A and B, dihydroflavonol-C-glucosides, from the bark of Gnetum gnemonoides. J Nat Prod, Volume 73 (4), 2010 J Nat Prod 2010 20192242
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Total active interactions: 4
Shinde P, Srivastava SK, Odedara R, Tuli D, Munshi S, Patel...
Shinde P, Srivastava SK, Odedara R, Tuli D, Munshi S, Patel J, Zambad SP, Sonawane R, Gupta RC, Chauthaiwale V, Dutt C.
Synthesis of spiro[chroman-2,4'-piperidin]-4-one derivatives as acetyl-CoA carboxylase inhibitors. Shinde P, Srivastava SK, Odedara R, Tuli D, Munshi S, Patel J, Zambad SP, Sonawane R, Gupta RC, Chauthaiwale V, Dutt C.: Synthesis of spiro[chroman-2,4'-piperidin]-4-one derivatives as acetyl-CoA carboxylase inhibitors. Bioorg Med Chem Lett, Volume 19 (3), 2009 Bioorg Med Chem Lett 2009 19097787
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Shinozuka T, Kobayashi H, Suzuki S, Tanaka K, Karanjule N,...
Shinozuka T, Kobayashi H, Suzuki S, Tanaka K, Karanjule N, Hayashi N, Tsuda T, Tokumaru E, Inoue M, Ueda K, Kimoto H, Domon Y, Takahashi S, Kubota K, Yokoyama T, Shimizugawa A, Koishi R, Fujiwara C, Asano D, Sakakura T, Takasuna K, Abe Y, Watanabe T, Kitano Y.
Discovery of DS-1971a, a Potent, Selective NaV1.7 Inhibitor. Shinozuka T, Kobayashi H, Suzuki S, Tanaka K, Karanjule N, Hayashi N, Tsuda T, Tokumaru E, Inoue M, Ueda K, Kimoto H, Domon Y, Takahashi S, Kubota K, Yokoyama T, Shimizugawa A, Koishi R, Fujiwara C, Asano D, Sakakura T, Takasuna K, Abe Y, Watanabe T, Kitano Y.: Discovery of DS-1971a, a Potent, Selective NaV1.7 Inhibitor. J Med Chem, Volume 63 (18), 2020 J Med Chem 2020 32392056
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Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K,...
Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.
Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018 Bioorg Med Chem 2018 30220602
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Shipps GW, Deng Y, Wang T, Popovici-Muller J, Curran PJ,...
Shipps GW, Deng Y, Wang T, Popovici-Muller J, Curran PJ, Rosner KE, Cooper AB, Girijavallabhan V, Butkiewicz N, Cable M.
Aminothiazole inhibitors of HCV RNA polymerase. Shipps GW, Deng Y, Wang T, Popovici-Muller J, Curran PJ, Rosner KE, Cooper AB, Girijavallabhan V, Butkiewicz N, Cable M.: Aminothiazole inhibitors of HCV RNA polymerase. Bioorg Med Chem Lett, Volume 15 (1), 2005 Bioorg Med Chem Lett 2005 15582422
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Shirahashi H, Toriihara E, Suenaga Y, Yoshida H, Akaogi K,...
Shirahashi H, Toriihara E, Suenaga Y, Yoshida H, Akaogi K, Endou Y, Wakabayashi M, Takashima M.
The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of... Shirahashi H, Toriihara E, Suenaga Y, Yoshida H, Akaogi K, Endou Y, Wakabayashi M, Takashima M.: The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain. Bioorg Med Chem Lett, Volume 29 (16), 2019 Bioorg Med Chem Lett 2019 31235262
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Shirai F, Mizutani A, Yashiroda Y, Tsumura T, Kano Y,...
Shirai F, Mizutani A, Yashiroda Y, Tsumura T, Kano Y, Muramatsu Y, Chikada T, Yuki H, Niwa H, Sato S, Washizuka K, Koda Y, Mazaki Y, Jang MK, Yoshida H, Nagamori A, Okue M, Watanabe T, Kitamura K, Shitara E, Honma T, Umehara T, Shirouzu M, Fukami T, Seimiya H, Yoshida M, Koyama H.
Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon... Shirai F, Mizutani A, Yashiroda Y, Tsumura T, Kano Y, Muramatsu Y, Chikada T, Yuki H, Niwa H, Sato S, Washizuka K, Koda Y, Mazaki Y, Jang MK, Yoshida H, Nagamori A, Okue M, Watanabe T, Kitamura K, Shitara E, Honma T, Umehara T, Shirouzu M, Fukami T, Seimiya H, Yoshida M, Koyama H.: Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer. J Med Chem, Volume 63 (8), 2020 J Med Chem 2020 32202790
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Shirai F, Tsumura T, Yashiroda Y, Yuki H, Niwa H, Sato S,...
Shirai F, Tsumura T, Yashiroda Y, Yuki H, Niwa H, Sato S, Chikada T, Koda Y, Washizuka K, Yoshimoto N, Abe M, Onuki T, Mazaki Y, Hirama C, Fukami T, Watanabe H, Honma T, Umehara T, Shirouzu M, Okue M, Kano Y, Watanabe T, Kitamura K, Shitara E, Muramatsu Y, Yoshida H, Mizutani A, Seimiya H, Yoshida M, Koyama H.
Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. Shirai F, Tsumura T, Yashiroda Y, Yuki H, Niwa H, Sato S, Chikada T, Koda Y, Washizuka K, Yoshimoto N, Abe M, Onuki T, Mazaki Y, Hirama C, Fukami T, Watanabe H, Honma T, Umehara T, Shirouzu M, Okue M, Kano Y, Watanabe T, Kitamura K, Shitara E, Muramatsu Y, Yoshida H, Mizutani A, Seimiya H, Yoshida M, Koyama H.: Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. J Med Chem, Volume 62 (7), 2019 J Med Chem 2019 30883102
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Shirasaka Y, Kuraoka E, Spahn-Langguth H, Nakanishi T,...
Shirasaka Y, Kuraoka E, Spahn-Langguth H, Nakanishi T, Langguth P, Tamai I.
Species difference in the effect of grapefruit juice on intestinal absorption of talinolol between human and rat. Shirasaka Y, Kuraoka E, Spahn-Langguth H, Nakanishi T, Langguth P, Tamai I.: Species difference in the effect of grapefruit juice on intestinal absorption of talinolol between human and rat. J Pharmacol Exp Ther, Volume 332 (1), 2010 J Pharmacol Exp Ther 2010 19779132
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Total passive interactions: 0
Total active interactions: 2
Shirasaki Y, Nakamura M, Yamaguchi M, Miyashita H, Sakai O,...
Shirasaki Y, Nakamura M, Yamaguchi M, Miyashita H, Sakai O, Inoue J.
Exploration of orally available calpain inhibitors 2: peptidyl hemiacetal derivatives. Shirasaki Y, Nakamura M, Yamaguchi M, Miyashita H, Sakai O, Inoue J.: Exploration of orally available calpain inhibitors 2: peptidyl hemiacetal derivatives. J Med Chem, Volume 49 (13), 2006 J Med Chem 2006 16789748
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Shiro T, Kakiguchi K, Takahashi H, Nagata H, Tobe M.
Shiro T, Kakiguchi K, Takahashi H, Nagata H, Tobe M.
7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors. Shiro T, Kakiguchi K, Takahashi H, Nagata H, Tobe M.: 7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors. Bioorg Med Chem, Volume 21 (11), 2013 Bioorg Med Chem 2013 23623673
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Shirude PS, Shandil R, Sadler C, Naik M, Hosagrahara V,...
Shirude PS, Shandil R, Sadler C, Naik M, Hosagrahara V, Hameed S, Shinde V, Bathula C, Humnabadkar V, Kumar N, Reddy J, Panduga V, Sharma S, Ambady A, Hegde N, Whiteaker J, McLaughlin RE, Gardner H, Madhavapeddi P, Ramachandran V, Kaur P, Narayan A, Guptha S, Awasthy D, Narayan C, Mahadevaswamy J, Vishwas KG, Ahuja V, Srivastava A, Prabhakar KR, Bharath S, Kale R, Ramaiah M, Choudhury NR, Sambandamurthy VK, Solapure S, Iyer PS, Narayanan S, Chatterji M.
Azaindoles: noncovalent DprE1 inhibitors from scaffold morphing efforts, kill Mycobacterium tuberculosis and are... Shirude PS, Shandil R, Sadler C, Naik M, Hosagrahara V, Hameed S, Shinde V, Bathula C, Humnabadkar V, Kumar N, Reddy J, Panduga V, Sharma S, Ambady A, Hegde N, Whiteaker J, McLaughlin RE, Gardner H, Madhavapeddi P, Ramachandran V, Kaur P, Narayan A, Guptha S, Awasthy D, Narayan C, Mahadevaswamy J, Vishwas KG, Ahuja V, Srivastava A, Prabhakar KR, Bharath S, Kale R, Ramaiah M, Choudhury NR, Sambandamurthy VK, Solapure S, Iyer PS, Narayanan S, Chatterji M.: Azaindoles: noncovalent DprE1 inhibitors from scaffold morphing efforts, kill Mycobacterium tuberculosis and are efficacious in vivo. J Med Chem, Volume 56 (23), 2013 J Med Chem 2013 24215368
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Shirude PS, Shandil RK, Manjunatha MR, Sadler C, Panda M,...
Shirude PS, Shandil RK, Manjunatha MR, Sadler C, Panda M, Panduga V, Reddy J, Saralaya R, Nanduri R, Ambady A, Ravishankar S, Sambandamurthy VK, Humnabadkar V, Jena LK, Suresh RS, Srivastava A, Prabhakar KR, Whiteaker J, McLaughlin RE, Sharma S, Cooper CB, Mdluli K, Butler S, Iyer PS, Narayanan S, Chatterji M.
Lead optimization of 1,4-azaindoles as antimycobacterial agents. Shirude PS, Shandil RK, Manjunatha MR, Sadler C, Panda M, Panduga V, Reddy J, Saralaya R, Nanduri R, Ambady A, Ravishankar S, Sambandamurthy VK, Humnabadkar V, Jena LK, Suresh RS, Srivastava A, Prabhakar KR, Whiteaker J, McLaughlin RE, Sharma S, Cooper CB, Mdluli K, Butler S, Iyer PS, Narayanan S, Chatterji M.: Lead optimization of 1,4-azaindoles as antimycobacterial agents. J Med Chem, Volume 57 (13), 2014 J Med Chem 2014 24874895
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Shitara Y, Itoh T, Sato H, Li AP, Sugiyama Y.
Shitara Y, Itoh T, Sato H, Li AP, Sugiyama Y.
Inhibition of transporter-mediated hepatic uptake as a mechanism for drug-drug interaction between cerivastatin and... Shitara Y, Itoh T, Sato H, Li AP, Sugiyama Y.: Inhibition of transporter-mediated hepatic uptake as a mechanism for drug-drug interaction between cerivastatin and cyclosporin A. J Pharmacol Exp Ther, Volume 304 (2), 2003 J Pharmacol Exp Ther 2003 12538813
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Shobo M, Kondo Y, Yamada H, Mihara T, Yamamoto N, Katsuoka...
Shobo M, Kondo Y, Yamada H, Mihara T, Yamamoto N, Katsuoka M, Harada K, Ni K, Matsuoka N.
Norzotepine, a major metabolite of zotepine, exerts atypical antipsychotic-like and antidepressant-like actions through... Shobo M, Kondo Y, Yamada H, Mihara T, Yamamoto N, Katsuoka M, Harada K, Ni K, Matsuoka N.: Norzotepine, a major metabolite of zotepine, exerts atypical antipsychotic-like and antidepressant-like actions through its potent inhibition of norepinephrine reuptake. J Pharmacol Exp Ther, Volume 333 (3), 2010 J Pharmacol Exp Ther 2010 20223878
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Total passive interactions: 0
Total active interactions: 3
Shouksmith AE, Gawel JM, Nawar N, Sina D, Raouf YS, Bukhari...
Shouksmith AE, Gawel JM, Nawar N, Sina D, Raouf YS, Bukhari S, He L, Johns AE, Manaswiyoungkul P, Olaoye OO, Cabral AD, Sedighi A, de Araujo ED, Gunning PT.
Class I/IIb-Selective HDAC Inhibitor Exhibits Oral Bioavailability and Therapeutic Efficacy in Acute Myeloid Leukemia. Shouksmith AE, Gawel JM, Nawar N, Sina D, Raouf YS, Bukhari S, He L, Johns AE, Manaswiyoungkul P, Olaoye OO, Cabral AD, Sedighi A, de Araujo ED, Gunning PT.: Class I/IIb-Selective HDAC Inhibitor Exhibits Oral Bioavailability and Therapeutic Efficacy in Acute Myeloid Leukemia. ACS Med Chem Lett, Volume 11 (1), 2020 ACS Med Chem Lett 2020 31938464
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Shouksmith AE, Shah F, Grimard ML, Gawel JM, Raouf YS,...
Shouksmith AE, Shah F, Grimard ML, Gawel JM, Raouf YS, Geletu M, Berger-Becvar A, de Araujo ED, Luchman HA, Heaton WL, Bakhshinyan D, Adile AA, Venugopal C, O'Hare T, Deininger MW, Singh SK, Konieczny SF, Weiss S, Fishel ML, Gunning PT.
Identification and Characterization of AES-135, a Hydroxamic Acid-Based HDAC Inhibitor That Prolongs Survival in an... Shouksmith AE, Shah F, Grimard ML, Gawel JM, Raouf YS, Geletu M, Berger-Becvar A, de Araujo ED, Luchman HA, Heaton WL, Bakhshinyan D, Adile AA, Venugopal C, O'Hare T, Deininger MW, Singh SK, Konieczny SF, Weiss S, Fishel ML, Gunning PT.: Identification and Characterization of AES-135, a Hydroxamic Acid-Based HDAC Inhibitor That Prolongs Survival in an Orthotopic Mouse Model of Pancreatic Cancer. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30776234
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Shu C, Ge H, Song M, Chen JH, Zhou H, Qi Q, Wang F, Ma X,...
Shu C, Ge H, Song M, Chen JH, Zhou H, Qi Q, Wang F, Ma X, Yang X, Zhang G, Ding Y, Zhou D, Peng P, Shih CK, Xu J, Wu F.
Discovery of Imigliptin, a Novel Selective DPP-4 Inhibitor for the Treatment of Type 2 Diabetes. Shu C, Ge H, Song M, Chen JH, Zhou H, Qi Q, Wang F, Ma X, Yang X, Zhang G, Ding Y, Zhou D, Peng P, Shih CK, Xu J, Wu F.: Discovery of Imigliptin, a Novel Selective DPP-4 Inhibitor for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 5 (8), 2014 ACS Med Chem Lett 2014 25147615
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Shukla K, Thomas AG, Ferraris DV, Hin N, Sattler R, Alt J,...
Shukla K, Thomas AG, Ferraris DV, Hin N, Sattler R, Alt J, Rojas C, Slusher BS, Tsukamoto T.
Inhibition of xc⁻ transporter-mediated cystine uptake by sulfasalazine analogs. Shukla K, Thomas AG, Ferraris DV, Hin N, Sattler R, Alt J, Rojas C, Slusher BS, Tsukamoto T.: Inhibition of xc⁻ transporter-mediated cystine uptake by sulfasalazine analogs. Bioorg Med Chem Lett, Volume 21 (20), 2011 Bioorg Med Chem Lett 2011 21889337
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Siddiqui-Jain A, Hoj JP, Cescon DW, Hansen MD.
Siddiqui-Jain A, Hoj JP, Cescon DW, Hansen MD.
Pharmacology and in vivo efficacy of pyridine-pyrimidine amides that inhibit microtubule polymerization. Siddiqui-Jain A, Hoj JP, Cescon DW, Hansen MD.: Pharmacology and in vivo efficacy of pyridine-pyrimidine amides that inhibit microtubule polymerization. Bioorg Med Chem Lett, Volume 28 (5), 2018 Bioorg Med Chem Lett 2018 29433928
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Sidduri A, Tilley JW, Lou J, Tare N, Cavallo G, Frank K,...
Sidduri A, Tilley JW, Lou J, Tare N, Cavallo G, Frank K, Pamidimukkala A, Choi DS, Gerber L, Railkar A, Renzetti L.
Identification of N-acyl 4-(5-pyrimidine-2,4-dionyl)phenylalanine derivatives and their orally active prodrug esters as... Sidduri A, Tilley JW, Lou J, Tare N, Cavallo G, Frank K, Pamidimukkala A, Choi DS, Gerber L, Railkar A, Renzetti L.: Identification of N-acyl 4-(5-pyrimidine-2,4-dionyl)phenylalanine derivatives and their orally active prodrug esters as dual-acting alpha4-beta1 and alpha4-beta7 receptor antagonists. Bioorg Med Chem Lett, Volume 23 (4), 2013 Bioorg Med Chem Lett 2013 23312474
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Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan...
Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.
Development of novel Vitamin D Receptor-Coactivator Inhibitors. Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014 ACS Med Chem Lett 2014 24799995
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Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl...
Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.
Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity... Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012 J Med Chem 2012 23009245
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Siebeneicher H, Bauser M, Buchmann B, Heisler I, Müller T,...
Siebeneicher H, Bauser M, Buchmann B, Heisler I, Müller T, Neuhaus R, Rehwinkel H, Telser J, Zorn L.
Identification of novel GLUT inhibitors. Siebeneicher H, Bauser M, Buchmann B, Heisler I, Müller T, Neuhaus R, Rehwinkel H, Telser J, Zorn L.: Identification of novel GLUT inhibitors. Bioorg Med Chem Lett, Volume 26 (7), 2016 Bioorg Med Chem Lett 2016 26949183
Total substances: 0
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Sifferlen T, Boller A, Chardonneau A, Cottreel E, Gatfield...
Sifferlen T, Boller A, Chardonneau A, Cottreel E, Gatfield J, Treiber A, Roch C, Jenck F, Aissaoui H, Williams JT, Brotschi C, Heidmann B, Siegrist R, Boss C.
Substituted pyrrolidin-2-ones: Centrally acting orexin receptor antagonists promoting sleep. Part 2. Sifferlen T, Boller A, Chardonneau A, Cottreel E, Gatfield J, Treiber A, Roch C, Jenck F, Aissaoui H, Williams JT, Brotschi C, Heidmann B, Siegrist R, Boss C.: Substituted pyrrolidin-2-ones: Centrally acting orexin receptor antagonists promoting sleep. Part 2. Bioorg Med Chem Lett, Volume 25 (9), 2015 Bioorg Med Chem Lett 2015 25838147
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Sifferlen T, Boller A, Chardonneau A, Cottreel E, Hoecker...
Sifferlen T, Boller A, Chardonneau A, Cottreel E, Hoecker J, Aissaoui H, Williams JT, Brotschi C, Heidmann B, Siegrist R, Gatfield J, Treiber A, Brisbare-Roch C, Jenck F, Boss C.
Discovery of substituted lactams as novel dual orexin receptor antagonists. Synthesis, preliminary structure-activity... Sifferlen T, Boller A, Chardonneau A, Cottreel E, Hoecker J, Aissaoui H, Williams JT, Brotschi C, Heidmann B, Siegrist R, Gatfield J, Treiber A, Brisbare-Roch C, Jenck F, Boss C.: Discovery of substituted lactams as novel dual orexin receptor antagonists. Synthesis, preliminary structure-activity relationship studies and efforts towards improved metabolic stability and pharmacokinetic properties. Part 1. Bioorg Med Chem Lett, Volume 24 (4), 2014 Bioorg Med Chem Lett 2014 24447850
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Sifferlen T, Koberstein R, Cottreel E, Boller A, Weller T,...
Sifferlen T, Koberstein R, Cottreel E, Boller A, Weller T, Gatfield J, Brisbare-Roch C, Jenck F, Boss C.
Structure-activity relationship studies and sleep-promoting activity of novel... Sifferlen T, Koberstein R, Cottreel E, Boller A, Weller T, Gatfield J, Brisbare-Roch C, Jenck F, Boss C.: Structure-activity relationship studies and sleep-promoting activity of novel 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine derivatives as dual orexin receptor antagonists. Part 2. Bioorg Med Chem Lett, Volume 23 (13), 2013 Bioorg Med Chem Lett 2013 23719231
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Sigafoos JF, Bowers GD, Castellino S, Culp AG, Wagner DS,...
Sigafoos JF, Bowers GD, Castellino S, Culp AG, Wagner DS, Reese MJ, Humphreys JE, Hussey EK, O'Connor Semmes RL, Kapur A, Tao W, Dobbins RL, Polli JW.
Assessment of the drug interaction risk for remogliflozin etabonate, a sodium-dependent glucose cotransporter-2... Sigafoos JF, Bowers GD, Castellino S, Culp AG, Wagner DS, Reese MJ, Humphreys JE, Hussey EK, O'Connor Semmes RL, Kapur A, Tao W, Dobbins RL, Polli JW.: Assessment of the drug interaction risk for remogliflozin etabonate, a sodium-dependent glucose cotransporter-2 inhibitor: evidence from in vitro, human mass balance, and ketoconazole interaction studies. Drug Metab Dispos, Volume 40 (11), 2012 Drug Metab Dispos 2012 22851617
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Silbermann K, Stefan SM, Elshawadfy R, Namasivayam V, Wiese...
Silbermann K, Stefan SM, Elshawadfy R, Namasivayam V, Wiese M.
Identification of Thienopyrimidine Scaffold as an Inhibitor of the ABC Transport Protein ABCC1 (MRP1) and Related... Silbermann K, Stefan SM, Elshawadfy R, Namasivayam V, Wiese M.: Identification of Thienopyrimidine Scaffold as an Inhibitor of the ABC Transport Protein ABCC1 (MRP1) and Related Transporters Using a Combined Virtual Screening Approach. J Med Chem, Volume 62 (9), 2019 J Med Chem 2019 30925062
Total substances: 1
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Total active interactions: 1
Silva T, Mohamed T, Shakeri A, Rao PP, Martínez-González...
Silva T, Mohamed T, Shakeri A, Rao PP, Martínez-González L, Pérez DI, Martínez A, Martínez A, Valente MJ, Garrido J, Uriarte E, Serrão P, Soares-da-Silva P, Remião F, Borges F.
Development of Blood-Brain Barrier Permeable Nitrocatechol-Based Catechol O-Methyltransferase Inhibitors with Reduced... Silva T, Mohamed T, Shakeri A, Rao PP, Martínez-González L, Pérez DI, Martínez A, Martínez A, Valente MJ, Garrido J, Uriarte E, Serrão P, Soares-da-Silva P, Remião F, Borges F.: Development of Blood-Brain Barrier Permeable Nitrocatechol-Based Catechol O-Methyltransferase Inhibitors with Reduced Potential for Hepatotoxicity. J Med Chem, Volume 59 (16), 2016 J Med Chem 2016 27463695
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Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL,...
Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.
Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of... Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009 Bioorg Med Chem Lett 2009 19596574
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Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani...
Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.
Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013 J Med Chem 2013 24151954
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Singh B, Diaz-Gonzalez R, Ceballos-Perez G, Rojas-Barros...
Singh B, Diaz-Gonzalez R, Ceballos-Perez G, Rojas-Barros DI, Gunaganti N, Gillingwater K, Martinez-Martinez MS, Manzano P, Navarro M, Pollastri MP.
Medicinal Chemistry Optimization of a Diaminopurine Chemotype: Toward a Lead for Trypanosoma brucei Inhibitors. Singh B, Diaz-Gonzalez R, Ceballos-Perez G, Rojas-Barros DI, Gunaganti N, Gillingwater K, Martinez-Martinez MS, Manzano P, Navarro M, Pollastri MP.: Medicinal Chemistry Optimization of a Diaminopurine Chemotype: Toward a Lead for Trypanosoma brucei Inhibitors. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32786222
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Singh D, Silakari O.
Singh D, Silakari O.
Sodium hydrogen exchanger inhibitory activity of benzotriazole derivatives. Singh D, Silakari O.: Sodium hydrogen exchanger inhibitory activity of benzotriazole derivatives. Eur J Med Chem, Volume 126, 2017 Eur J Med Chem 2017 27750152
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Singh GS, Mmatli EE.
Singh GS, Mmatli EE.
Recent progress in synthesis and bioactivity studies of indolizines. Singh GS, Mmatli EE.: Recent progress in synthesis and bioactivity studies of indolizines. Eur J Med Chem, Volume 46 (11), 2011 Eur J Med Chem 2011 21937153
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Singh J, Zeller W, Zhou N, Hategan G, Mishra RK, Polozov A,...
Singh J, Zeller W, Zhou N, Hategan G, Mishra RK, Polozov A, Yu P, Onua E, Zhang J, Ramírez JL, Sigthorsson G, Thorsteinnsdottir M, Kiselyov AS, Zembower DE, Andrésson T, Gurney ME.
Structure-activity relationship studies leading to the identification of... Singh J, Zeller W, Zhou N, Hategan G, Mishra RK, Polozov A, Yu P, Onua E, Zhang J, Ramírez JL, Sigthorsson G, Thorsteinnsdottir M, Kiselyov AS, Zembower DE, Andrésson T, Gurney ME.: Structure-activity relationship studies leading to the identification of (2E)-3-[l-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methyl-lH-indol-7-yl]-N-[(4,5-dichloro-2-thienyl)sulfonyl]-2-propenamide (DG-041), a potent and selective prostanoid EP3 receptor antagonist, as a novel antiplatelet agent that does not prolong bleeding. J Med Chem, Volume 53 (1), 2010 J Med Chem 2010 19957930
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Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L,...
Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.
Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation,... Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017 J Med Chem 2017 28094524
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Singh M, Kaur M, Silakari O.
Singh M, Kaur M, Silakari O.
Flavones: an important scaffold for medicinal chemistry. Singh M, Kaur M, Silakari O.: Flavones: an important scaffold for medicinal chemistry. Eur J Med Chem, Volume 84, 2014 Eur J Med Chem 2014 25019478
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Singh RS, Das U, Auschwitz JM, Leed SE, Hickman MR, Dimmock...
Singh RS, Das U, Auschwitz JM, Leed SE, Hickman MR, Dimmock JR, Alcorn J.
From a cytotoxic agent to the discovery of a novel antimalarial agent. Singh RS, Das U, Auschwitz JM, Leed SE, Hickman MR, Dimmock JR, Alcorn J.: From a cytotoxic agent to the discovery of a novel antimalarial agent. Bioorg Med Chem Lett, Volume 23 (2), 2013 Bioorg Med Chem Lett 2013 23228469
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Singh RS, Michel D, Das U, Dimmock JR, Alcorn J.
Singh RS, Michel D, Das U, Dimmock JR, Alcorn J.
Cytotoxic 1,5-diaryl-3-oxo-1,5-pentadienes: an assessment and comparison of membrane permeability using Caco-2 and MDCK... Singh RS, Michel D, Das U, Dimmock JR, Alcorn J.: Cytotoxic 1,5-diaryl-3-oxo-1,5-pentadienes: an assessment and comparison of membrane permeability using Caco-2 and MDCK monolayers. Bioorg Med Chem Lett, Volume 24 (22), 2014 Bioorg Med Chem Lett 2014 25442312
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Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot...
Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot MJ, Price D, Nettleton DO, Wallace NK, Troutman MD, Williams C, Boyd JG.
Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human... Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot MJ, Price D, Nettleton DO, Wallace NK, Troutman MD, Williams C, Boyd JG.: Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel. J Med Chem, Volume 50 (13), 2007 J Med Chem 2007 17536794
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Sisto A, Altamura M, Cardinali F, D'Andrea P, Rossi C,...
Sisto A, Altamura M, Cardinali F, D'Andrea P, Rossi C, Fattori D.
alpha,alpha-Cyclic aminoacids as useful scaffolds for the preparation of hNK(2) receptor antagonists. Sisto A, Altamura M, Cardinali F, D'Andrea P, Rossi C, Fattori D.: alpha,alpha-Cyclic aminoacids as useful scaffolds for the preparation of hNK(2) receptor antagonists. Bioorg Med Chem Lett, Volume 17 (17), 2007 Bioorg Med Chem Lett 2007 17604625
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Siu M, Johnson TO, Wang Y, Nair SK, Taylor WD, Cripps SJ,...
Siu M, Johnson TO, Wang Y, Nair SK, Taylor WD, Cripps SJ, Matthews JJ, Edwards MP, Pauly TA, Ermolieff J, Castro A, Hosea NA, LaPaglia A, Fanjul AN, Vogel JE.
N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275. Siu M, Johnson TO, Wang Y, Nair SK, Taylor WD, Cripps SJ, Matthews JJ, Edwards MP, Pauly TA, Ermolieff J, Castro A, Hosea NA, LaPaglia A, Fanjul AN, Vogel JE.: N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275. Bioorg Med Chem Lett, Volume 19 (13), 2009 Bioorg Med Chem Lett 2009 19473839
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Siu T, Altman MD, Baltus GA, Childers M, Ellis JM, Gunaydin...
Siu T, Altman MD, Baltus GA, Childers M, Ellis JM, Gunaydin H, Hatch H, Ho T, Jewell J, Lacey BM, Lesburg CA, Pan BS, Sauvagnat B, Schroeder GK, Xu S.
Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING. Siu T, Altman MD, Baltus GA, Childers M, Ellis JM, Gunaydin H, Hatch H, Ho T, Jewell J, Lacey BM, Lesburg CA, Pan BS, Sauvagnat B, Schroeder GK, Xu S.: Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING. ACS Med Chem Lett, Volume 10 (1), 2019 ACS Med Chem Lett 2019 30655953
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Skepper CK, Moreau RJ, Appleton BA, Benton BM, Drumm JE,...
Skepper CK, Moreau RJ, Appleton BA, Benton BM, Drumm JE, Feng BY, Geng M, Hu C, Li C, Lingel A, Lu Y, Mamo M, Mergo W, Mostafavi M, Rath CM, Steffek M, Takeoka KT, Uehara K, Wang L, Wei JR, Xie L, Xu W, Zhang Q, de Vicente J.
Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial... Skepper CK, Moreau RJ, Appleton BA, Benton BM, Drumm JE, Feng BY, Geng M, Hu C, Li C, Lingel A, Lu Y, Mamo M, Mergo W, Mostafavi M, Rath CM, Steffek M, Takeoka KT, Uehara K, Wang L, Wei JR, Xie L, Xu W, Zhang Q, de Vicente J.: Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J Med Chem, Volume 61 (8), 2018 J Med Chem 2018 29551072
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Skerlj R, Bridger G, Zhou Y, Bourque E, McEachern E, Metz...
Skerlj R, Bridger G, Zhou Y, Bourque E, McEachern E, Metz M, Harwig C, Li TS, Yang W, Bogucki D, Zhu Y, Langille J, Veale D, Ba T, Bey M, Baird I, Kaller A, Krumpak M, Leitch D, Satori M, Vocadlo K, Guay D, Nan S, Yee H, Crawford J, Chen G, Wilson T, Carpenter B, Gauthier D, Macfarland R, Mosi R, Bodart V, Wong R, Fricker S, Schols D.
Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: potent inhibitors of... Skerlj R, Bridger G, Zhou Y, Bourque E, McEachern E, Metz M, Harwig C, Li TS, Yang W, Bogucki D, Zhu Y, Langille J, Veale D, Ba T, Bey M, Baird I, Kaller A, Krumpak M, Leitch D, Satori M, Vocadlo K, Guay D, Nan S, Yee H, Crawford J, Chen G, Wilson T, Carpenter B, Gauthier D, Macfarland R, Mosi R, Bodart V, Wong R, Fricker S, Schols D.: Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: potent inhibitors of R5 HIV-1 replication. J Med Chem, Volume 56 (20), 2013 J Med Chem 2013 24090135
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Skidmore J, Atcha Z, Boucherat E, Castelletti L, Chen DW,...
Skidmore J, Atcha Z, Boucherat E, Castelletti L, Chen DW, Coppo FT, Cutler L, Dunsdon RM, Heath BM, Hutchings R, Hurst DN, Javed S, Martin S, Maskell ES, Norton D, Pemberton DJ, Redshaw S, Rutter R, Sehmi SS, Scoccitti T, Temple HE, Theobald P, Ward RW, Wilson DM.
Identification of a series of 1,3,4-oxadiazol-2-amines as potent alpha-7 agonists with efficacy in the novel object... Skidmore J, Atcha Z, Boucherat E, Castelletti L, Chen DW, Coppo FT, Cutler L, Dunsdon RM, Heath BM, Hutchings R, Hurst DN, Javed S, Martin S, Maskell ES, Norton D, Pemberton DJ, Redshaw S, Rutter R, Sehmi SS, Scoccitti T, Temple HE, Theobald P, Ward RW, Wilson DM.: Identification of a series of 1,3,4-oxadiazol-2-amines as potent alpha-7 agonists with efficacy in the novel object recognition model of cognition. Bioorg Med Chem Lett, Volume 22 (10), 2012 Bioorg Med Chem Lett 2012 22503248
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Skidmore J, Atcha Z, Boucherat E, Castelletti L, Chen DW,...
Skidmore J, Atcha Z, Boucherat E, Castelletti L, Chen DW, Coppo FT, Cutler L, Dunsdon RM, Heath BM, Hutchings R, Hurst DN, Javed S, Martin S, Maskell ES, Norton D, Pemberton DJ, Redshaw S, Rutter R, Sehmi SS, Scoccitti T, Temple HE, Theobald P, Ward RW, Wilson DM.
The discovery of 2-fluoro-N-(3-fluoro-4-(5-((4-morpholinobutyl)amino)-1,3,4-oxadiazol-2-yl)phenyl)benzamide, a full... Skidmore J, Atcha Z, Boucherat E, Castelletti L, Chen DW, Coppo FT, Cutler L, Dunsdon RM, Heath BM, Hutchings R, Hurst DN, Javed S, Martin S, Maskell ES, Norton D, Pemberton DJ, Redshaw S, Rutter R, Sehmi SS, Scoccitti T, Temple HE, Theobald P, Ward RW, Wilson DM.: The discovery of 2-fluoro-N-(3-fluoro-4-(5-((4-morpholinobutyl)amino)-1,3,4-oxadiazol-2-yl)phenyl)benzamide, a full agonist of the alpha-7 nicotinic acetylcholine receptor showing efficacy in the novel object recognition model of cognition enhancement. Bioorg Med Chem Lett, Volume 22 (10), 2012 Bioorg Med Chem Lett 2012 22503453
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Skidmore J, Heer J, Johnson CN, Norton D, Redshaw S,...
Skidmore J, Heer J, Johnson CN, Norton D, Redshaw S, Sweeting J, Hurst D, Cridland A, Vesey D, Wall I, Ahmed M, Rivers D, Myatt J, Giblin G, Philpott K, Kumar U, Stevens A, Bit RA, Haynes A, Taylor S, Watson R, Witherington J, Demont E, Heightman TD.
Optimization of sphingosine-1-phosphate-1 receptor agonists: effects of acidic, basic, and zwitterionic chemotypes on... Skidmore J, Heer J, Johnson CN, Norton D, Redshaw S, Sweeting J, Hurst D, Cridland A, Vesey D, Wall I, Ahmed M, Rivers D, Myatt J, Giblin G, Philpott K, Kumar U, Stevens A, Bit RA, Haynes A, Taylor S, Watson R, Witherington J, Demont E, Heightman TD.: Optimization of sphingosine-1-phosphate-1 receptor agonists: effects of acidic, basic, and zwitterionic chemotypes on pharmacokinetic and pharmacodynamic profiles. J Med Chem, Volume 57 (24), 2014 J Med Chem 2014 25431977
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Skoda EM, Sacher JR, Kazancioglu MZ, Saha J, Wipf P.
Skoda EM, Sacher JR, Kazancioglu MZ, Saha J, Wipf P.
An uncharged oxetanyl sulfoxide as a covalent modifier for improving aqueous solubility. Skoda EM, Sacher JR, Kazancioglu MZ, Saha J, Wipf P.: An uncharged oxetanyl sulfoxide as a covalent modifier for improving aqueous solubility. ACS Med Chem Lett, Volume 5 (8), 2014 ACS Med Chem Lett 2014 25147611
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Skogh A, Lesniak A, Sköld C, Karlgren M, Gaugaz FZ,...
Skogh A, Lesniak A, Sköld C, Karlgren M, Gaugaz FZ, Svensson R, Diwakarla S, Jonsson A, Fransson R, Nyberg F, Hallberg M, Sandström A.
An imidazole based H-Phe-Phe-NH2 peptidomimetic with anti-allodynic effect in spared nerve injury mice. Skogh A, Lesniak A, Sköld C, Karlgren M, Gaugaz FZ, Svensson R, Diwakarla S, Jonsson A, Fransson R, Nyberg F, Hallberg M, Sandström A.: An imidazole based H-Phe-Phe-NH2 peptidomimetic with anti-allodynic effect in spared nerve injury mice. Bioorg Med Chem Lett, Volume 28 (14), 2018 Bioorg Med Chem Lett 2018 29929882
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Smallheer JM, Wang S, Laws ML, Nakajima S, Hu Z, Han W,...
Smallheer JM, Wang S, Laws ML, Nakajima S, Hu Z, Han W, Jacobson I, Luettgen JM, Rossi KA, Rendina AR, Knabb RM, Wexler RR, Lam PY, Quan ML.
Sulfonamidolactam inhibitors of coagulation factor Xa. Smallheer JM, Wang S, Laws ML, Nakajima S, Hu Z, Han W, Jacobson I, Luettgen JM, Rossi KA, Rendina AR, Knabb RM, Wexler RR, Lam PY, Quan ML.: Sulfonamidolactam inhibitors of coagulation factor Xa. Bioorg Med Chem Lett, Volume 18 (7), 2008 Bioorg Med Chem Lett 2008 18329876
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Smil D, Wong JF, Williams EP, Adamson RJ, Howarth A, McLeod...
Smil D, Wong JF, Williams EP, Adamson RJ, Howarth A, McLeod DA, Mamai A, Kim S, Wilson BJ, Kiyota T, Aman A, Owen J, Poda G, Horiuchi KY, Kuznetsova E, Ma H, Hamblin JN, Cramp S, Roberts OG, Edwards AM, Uehling D, Al-Awar R, Bullock AN, O'Meara JA, Isaac MB.
Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse... Smil D, Wong JF, Williams EP, Adamson RJ, Howarth A, McLeod DA, Mamai A, Kim S, Wilson BJ, Kiyota T, Aman A, Owen J, Poda G, Horiuchi KY, Kuznetsova E, Ma H, Hamblin JN, Cramp S, Roberts OG, Edwards AM, Uehling D, Al-Awar R, Bullock AN, O'Meara JA, Isaac MB.: Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32787083
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Smith CD, Wang A, Vembaiyan K, Zhang J, Xie C, Zhou Q, Wu...
Smith CD, Wang A, Vembaiyan K, Zhang J, Xie C, Zhou Q, Wu G, Chen SR, Back TG.
Novel carvedilol analogues that suppress store-overload-induced Ca2+ release. Smith CD, Wang A, Vembaiyan K, Zhang J, Xie C, Zhou Q, Wu G, Chen SR, Back TG.: Novel carvedilol analogues that suppress store-overload-induced Ca2+ release. J Med Chem, Volume 56 (21), 2013 J Med Chem 2013 24124794
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Smith EM, Sorota S, Kim HM, McKittrick BA, Nechuta TL,...
Smith EM, Sorota S, Kim HM, McKittrick BA, Nechuta TL, Bennett C, Knutson C, Burnett DA, Kieselgof J, Tan Z, Rindgen D, Bridal T, Zhou X, Jia YP, Dong Z, Mullins D, Zhang X, Priestley T, Correll CC, Tulshian D, Czarniecki M, Greenlee WJ.
T-type calcium channel blockers: spiro-piperidine azetidines and azetidinones-optimization, design and synthesis. Smith EM, Sorota S, Kim HM, McKittrick BA, Nechuta TL, Bennett C, Knutson C, Burnett DA, Kieselgof J, Tan Z, Rindgen D, Bridal T, Zhou X, Jia YP, Dong Z, Mullins D, Zhang X, Priestley T, Correll CC, Tulshian D, Czarniecki M, Greenlee WJ.: T-type calcium channel blockers: spiro-piperidine azetidines and azetidinones-optimization, design and synthesis. Bioorg Med Chem Lett, Volume 20 (15), 2010 Bioorg Med Chem Lett 2010 20580233
Total substances: 0
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Smith G, Mikkelsen G, Eskildsen J, Bundgaard C.
Smith G, Mikkelsen G, Eskildsen J, Bundgaard C.
The synthesis and SAR of 2-arylsulfanylphenyl-1-oxyalkylamino acids as GlyT-1 inhibitors. Smith G, Mikkelsen G, Eskildsen J, Bundgaard C.: The synthesis and SAR of 2-arylsulfanylphenyl-1-oxyalkylamino acids as GlyT-1 inhibitors. Bioorg Med Chem Lett, Volume 16 (15), 2006 Bioorg Med Chem Lett 2006 16725323
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Smith GF, Altman MD, Andresen B, Baker J, Brubaker JD, Chen...
Smith GF, Altman MD, Andresen B, Baker J, Brubaker JD, Chen H, Chen Y, Childers M, Donofrio A, Ferguson H, Fischer C, Fischmann TO, Gibeau C, Hicks A, Jin S, Kattar S, Kleinschek MA, Leccese E, Lesburg C, Li C, Lim J, Liu D, Maclean JKF, Mansoor F, Moy LY, Mulrooney EF, Necheva AS, Presland J, Rakhilina L, Yang R, Torres L, Zhang-Hoover J, Northrup A.
Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Smith GF, Altman MD, Andresen B, Baker J, Brubaker JD, Chen H, Chen Y, Childers M, Donofrio A, Ferguson H, Fischer C, Fischmann TO, Gibeau C, Hicks A, Jin S, Kattar S, Kleinschek MA, Leccese E, Lesburg C, Li C, Lim J, Liu D, Maclean JKF, Mansoor F, Moy LY, Mulrooney EF, Necheva AS, Presland J, Rakhilina L, Yang R, Torres L, Zhang-Hoover J, Northrup A.: Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg Med Chem Lett, Volume 27 (12), 2017 Bioorg Med Chem Lett 2017 28501511
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Smith GP, Badolo L, Chell V, Chen IJ, Christensen KV, David...
Smith GP, Badolo L, Chell V, Chen IJ, Christensen KV, David L, Daechsel JA, Hentzer M, Herzig MC, Mikkelsen GK, Watson SP, Williamson DS.
The design and SAR of a novel series of 2-aminopyridine based LRRK2 inhibitors. Smith GP, Badolo L, Chell V, Chen IJ, Christensen KV, David L, Daechsel JA, Hentzer M, Herzig MC, Mikkelsen GK, Watson SP, Williamson DS.: The design and SAR of a novel series of 2-aminopyridine based LRRK2 inhibitors. Bioorg Med Chem Lett, Volume 27 (18), 2017 Bioorg Med Chem Lett 2017 28802631
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Smith MR, Smith RD, Plummer NW, Meisler MH, Goldin AL.
Smith MR, Smith RD, Plummer NW, Meisler MH, Goldin AL.
Functional analysis of the mouse Scn8a sodium channel. Smith MR, Smith RD, Plummer NW, Meisler MH, Goldin AL.: Functional analysis of the mouse Scn8a sodium channel. J Neurosci, Volume 18 (16), 1998 J Neurosci 1998 9698304
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Smith RJ, Perez-Ternero C, Conole D, Martin C, Myers SH,...
Smith RJ, Perez-Ternero C, Conole D, Martin C, Myers SH, Hobbs AJ, Selwood DL.
A Series of Substituted Bis-Aminotriazines Are Activators of the Natriuretic Peptide Receptor C. Smith RJ, Perez-Ternero C, Conole D, Martin C, Myers SH, Hobbs AJ, Selwood DL.: A Series of Substituted Bis-Aminotriazines Are Activators of the Natriuretic Peptide Receptor C. J Med Chem, Volume 65 (7), 2022 J Med Chem 2022 35333039
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Smithen DA, Leung LMH, Challinor M, Lawrence R, Tang H,...
Smithen DA, Leung LMH, Challinor M, Lawrence R, Tang H, Niculescu-Duvaz D, Pearce SP, Mcleary R, Lopes F, Aljarah M, Brown M, Johnson L, Thomson G, Marais R, Springer C.
2-Aminomethylene-5-sulfonylthiazole Inhibitors of Lysyl Oxidase (LOX) and LOXL2 Show Significant Efficacy in Delaying... Smithen DA, Leung LMH, Challinor M, Lawrence R, Tang H, Niculescu-Duvaz D, Pearce SP, Mcleary R, Lopes F, Aljarah M, Brown M, Johnson L, Thomson G, Marais R, Springer C.: 2-Aminomethylene-5-sulfonylthiazole Inhibitors of Lysyl Oxidase (LOX) and LOXL2 Show Significant Efficacy in Delaying Tumor Growth. J Med Chem, Volume 63 (5), 2020 J Med Chem 2020 31430136
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Sniecikowska J, Gluch-Lutwin M, Bucki A, Więckowska A,...
Sniecikowska J, Gluch-Lutwin M, Bucki A, Więckowska A, Siwek A, Jastrzebska-Wiesek M, Partyka A, Wilczyńska D, Pytka K, Latacz G, Przejczowska-Pomierny K, Wyska E, Wesołowska A, Pawłowski M, Newman-Tancredi A, Kolaczkowski M.
Discovery of Novel pERK1/2- or β-Arrestin-Preferring 5-HT1A Receptor-Biased Agonists: Diversified... Sniecikowska J, Gluch-Lutwin M, Bucki A, Więckowska A, Siwek A, Jastrzebska-Wiesek M, Partyka A, Wilczyńska D, Pytka K, Latacz G, Przejczowska-Pomierny K, Wyska E, Wesołowska A, Pawłowski M, Newman-Tancredi A, Kolaczkowski M.: Discovery of Novel pERK1/2- or β-Arrestin-Preferring 5-HT1A Receptor-Biased Agonists: Diversified Therapeutic-like versus Side Effect Profile. J Med Chem, Volume 63 (19), 2020 J Med Chem 2020 32883072
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Sniecikowska J, Gluch-Lutwin M, Bucki A, Więckowska A,...
Sniecikowska J, Gluch-Lutwin M, Bucki A, Więckowska A, Siwek A, Jastrzebska-Wiesek M, Partyka A, Wilczyńska D, Pytka K, Pociecha K, Cios A, Wyska E, Wesołowska A, Pawłowski M, Varney MA, Newman-Tancredi A, Kolaczkowski M.
Novel Aryloxyethyl Derivatives of 1-(1-Benzoylpiperidin-4-yl)methanamine as the Extracellular Regulated Kinases 1/2... Sniecikowska J, Gluch-Lutwin M, Bucki A, Więckowska A, Siwek A, Jastrzebska-Wiesek M, Partyka A, Wilczyńska D, Pytka K, Pociecha K, Cios A, Wyska E, Wesołowska A, Pawłowski M, Varney MA, Newman-Tancredi A, Kolaczkowski M.: Novel Aryloxyethyl Derivatives of 1-(1-Benzoylpiperidin-4-yl)methanamine as the Extracellular Regulated Kinases 1/2 (ERK1/2) Phosphorylation-Preferring Serotonin 5-HT1A Receptor-Biased Agonists with Robust Antidepressant-like Activity. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30721053
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Snyder GL, Vanover KE, Zhu H, Miller DB, O'Callaghan JP,...
Snyder GL, Vanover KE, Zhu H, Miller DB, O'Callaghan JP, Tomesch J, Li P, Zhang Q, Krishnan V, Hendrick JP, Nestler EJ, Davis RE, Wennogle LP, Mates S.
Functional profile of a novel modulator of serotonin, dopamine, and glutamate neurotransmission. Snyder GL, Vanover KE, Zhu H, Miller DB, O'Callaghan JP, Tomesch J, Li P, Zhang Q, Krishnan V, Hendrick JP, Nestler EJ, Davis RE, Wennogle LP, Mates S.: Functional profile of a novel modulator of serotonin, dopamine, and glutamate neurotransmission. Psychopharmacology (Berl), Volume 232 (3), 2015 Psychopharmacology (Berl) 2015 25120104
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O,...
Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.
Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase:... Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018 J Med Chem 2018 28853884
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Soares Romeiro LA, da Costa Nunes JL, de Oliveira Miranda...
Soares Romeiro LA, da Costa Nunes JL, de Oliveira Miranda C, Simões Heyn Roth Cardoso G, de Oliveira AS, Gandini A, Kobrlova T, Soukup O, Rossi M, Senger J, Jung M, Gervasoni S, Vistoli G, Petralla S, Massenzio F, Monti B, Bolognesi ML.
Novel Sustainable-by-Design HDAC Inhibitors for the Treatment of Alzheimer's Disease. Soares Romeiro LA, da Costa Nunes JL, de Oliveira Miranda C, Simões Heyn Roth Cardoso G, de Oliveira AS, Gandini A, Kobrlova T, Soukup O, Rossi M, Senger J, Jung M, Gervasoni S, Vistoli G, Petralla S, Massenzio F, Monti B, Bolognesi ML.: Novel Sustainable-by-Design HDAC Inhibitors for the Treatment of Alzheimer's Disease. ACS Med Chem Lett, Volume 10 (4), 2019 ACS Med Chem Lett 2019 30996816
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Soars MG, Barton P, Ismair M, Jupp R, Riley RJ.
Soars MG, Barton P, Ismair M, Jupp R, Riley RJ.
The development, characterization, and application of an OATP1B1 inhibition assay in drug discovery. Soars MG, Barton P, Ismair M, Jupp R, Riley RJ.: The development, characterization, and application of an OATP1B1 inhibition assay in drug discovery. Drug Metab Dispos, Volume 40 (8), 2012 Drug Metab Dispos 2012 22587986
Total substances: 10
Total passive interactions: 0
Total active interactions: 17
Sofia MJ, Bao D, Chang W, Du J, Nagarathnam D, Rachakonda...
Sofia MJ, Bao D, Chang W, Du J, Nagarathnam D, Rachakonda S, Reddy PG, Ross BS, Wang P, Zhang HR, Bansal S, Espiritu C, Keilman M, Lam AM, Steuer HM, Niu C, Otto MJ, Furman PA.
Discovery of a β-d-2'-deoxy-2'-α-fluoro-2'-β-C-methyluridine nucleotide prodrug (PSI-7977) for the treatment of... Sofia MJ, Bao D, Chang W, Du J, Nagarathnam D, Rachakonda S, Reddy PG, Ross BS, Wang P, Zhang HR, Bansal S, Espiritu C, Keilman M, Lam AM, Steuer HM, Niu C, Otto MJ, Furman PA.: Discovery of a β-d-2'-deoxy-2'-α-fluoro-2'-β-C-methyluridine nucleotide prodrug (PSI-7977) for the treatment of hepatitis C virus. J Med Chem, Volume 53 (19), 2010 J Med Chem 2010 20845908
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Sogame S, Suenaga Y, Atobe M, Kawanishi M, Tanaka E,...
Sogame S, Suenaga Y, Atobe M, Kawanishi M, Tanaka E, Miyoshi S.
Discovery of a benzimidazole series of ADAMTS-5 (aggrecanase-2) inhibitors by scaffold hopping. Sogame S, Suenaga Y, Atobe M, Kawanishi M, Tanaka E, Miyoshi S.: Discovery of a benzimidazole series of ADAMTS-5 (aggrecanase-2) inhibitors by scaffold hopping. Eur J Med Chem, Volume 71, 2014 Eur J Med Chem 2014 24316668
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Sogame Y, Kitamura A, Yabuki M, Komuro S.
Sogame Y, Kitamura A, Yabuki M, Komuro S.
A comparison of uptake of metformin and phenformin mediated by hOCT1 in human hepatocytes. Sogame Y, Kitamura A, Yabuki M, Komuro S.: A comparison of uptake of metformin and phenformin mediated by hOCT1 in human hepatocytes. Biopharm Drug Dispos, Volume 30 (8), 2009 Biopharm Drug Dispos 2009 19768675
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos...
Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.
Synthesis and antiprotozoal activity of oligomethylene- and p-phenylene-bis(methylene)-linked bis(+)-huprines. Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014 Bioorg Med Chem Lett 2014 25454267
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Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E,...
Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.
Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline... Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016 Bioorg Med Chem 2016 27591008
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Sola I, Castellà S, Viayna E, Galdeano C, Taylor MC,...
Sola I, Castellà S, Viayna E, Galdeano C, Taylor MC, Gbedema SY, Pérez B, Clos MV, Jones DC, Fairlamb AH, Wright CW, Kelly JM, Muñoz-Torrero D.
Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual... Sola I, Castellà S, Viayna E, Galdeano C, Taylor MC, Gbedema SY, Pérez B, Clos MV, Jones DC, Fairlamb AH, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual trypanocidal-antiplasmodial activity. Bioorg Med Chem, Volume 23 (16), 2015 Bioorg Med Chem 2015 25678015
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Solanki S, Innocenti P, Mas-Droux C, Boxall K, Barillari C,...
Solanki S, Innocenti P, Mas-Droux C, Boxall K, Barillari C, van Montfort RL, Aherne GW, Bayliss R, Hoelder S.
Benzimidazole inhibitors induce a DFG-out conformation of never in mitosis gene A-related kinase 2 (Nek2) without... Solanki S, Innocenti P, Mas-Droux C, Boxall K, Barillari C, van Montfort RL, Aherne GW, Bayliss R, Hoelder S.: Benzimidazole inhibitors induce a DFG-out conformation of never in mitosis gene A-related kinase 2 (Nek2) without binding to the back pocket and reveal a nonlinear structure-activity relationship. J Med Chem, Volume 54 (6), 2011 J Med Chem 2011 21366329
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Song KC, Livanec PW, Klauda JB, Kuczera K, Dunn RC, Im W.
Song KC, Livanec PW, Klauda JB, Kuczera K, Dunn RC, Im W.
Orientation of fluorescent lipid analogue BODIPY-PC to probe lipid membrane properties: insights from molecular... Song KC, Livanec PW, Klauda JB, Kuczera K, Dunn RC, Im W.: Orientation of fluorescent lipid analogue BODIPY-PC to probe lipid membrane properties: insights from molecular dynamics simulations. J Phys Chem B, Volume 115 (19), 6157-6165, 2011 J Phys Chem B 2011 21513278
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Song P, Chen M, Ma X, Xu L, Liu T, Zhou Y, Hu Y.
Song P, Chen M, Ma X, Xu L, Liu T, Zhou Y, Hu Y.
Identification of novel inhibitors of Aurora A with a 3-(pyrrolopyridin-2-yl)indazole scaffold. Song P, Chen M, Ma X, Xu L, Liu T, Zhou Y, Hu Y.: Identification of novel inhibitors of Aurora A with a 3-(pyrrolopyridin-2-yl)indazole scaffold. Bioorg Med Chem, Volume 23 (8), 2015 Bioorg Med Chem 2015 25771484
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Song Q, Li Y, Cao Z, Liu H, Tian C, Yang Z, Qiang X, Tan Z,...
Song Q, Li Y, Cao Z, Liu H, Tian C, Yang Z, Qiang X, Tan Z, Deng Y.
Discovery of novel 2,5-dihydroxyterephthalamide derivatives as multifunctional agents for the treatment of Alzheimer's... Song Q, Li Y, Cao Z, Liu H, Tian C, Yang Z, Qiang X, Tan Z, Deng Y.: Discovery of novel 2,5-dihydroxyterephthalamide derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 26 (23-24), 2018 Bioorg Med Chem 2018 30470598
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Sooryakumar D, Dexheimer TS, Teicher BA, Pommier Y.
Sooryakumar D, Dexheimer TS, Teicher BA, Pommier Y.
Molecular and cellular pharmacology of the novel noncamptothecin topoisomerase I inhibitor Genz-644282. Sooryakumar D, Dexheimer TS, Teicher BA, Pommier Y.: Molecular and cellular pharmacology of the novel noncamptothecin topoisomerase I inhibitor Genz-644282. Mol Cancer Ther, Volume 10 (8), 2011 Mol Cancer Ther 2011 21636699
Total substances: 1
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Total active interactions: 1
Soth M, Abbot S, Abubakari A, Arora N, Arzeno H, Billedeau...
Soth M, Abbot S, Abubakari A, Arora N, Arzeno H, Billedeau R, Dewdney N, Durkin K, Frauchiger S, Ghate M, Goldstein DM, Hill RJ, Kuglstatter A, Li F, Loe B, McCaleb K, McIntosh J, Papp E, Park J, Stahl M, Sung ML, Suttman R, Swinney DC, Weller P, Wong B, Zecic H, Gabriel T.
3-Amino-pyrazolo[3,4-d]pyrimidines as p38α kinase inhibitors: design and development to a highly selective lead. Soth M, Abbot S, Abubakari A, Arora N, Arzeno H, Billedeau R, Dewdney N, Durkin K, Frauchiger S, Ghate M, Goldstein DM, Hill RJ, Kuglstatter A, Li F, Loe B, McCaleb K, McIntosh J, Papp E, Park J, Stahl M, Sung ML, Suttman R, Swinney DC, Weller P, Wong B, Zecic H, Gabriel T.: 3-Amino-pyrazolo[3,4-d]pyrimidines as p38α kinase inhibitors: design and development to a highly selective lead. Bioorg Med Chem Lett, Volume 21 (11), 2011 Bioorg Med Chem Lett 2011 21515047
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Soth M, Hermann JC, Yee C, Alam M, Barnett JW, Berry P,...
Soth M, Hermann JC, Yee C, Alam M, Barnett JW, Berry P, Browner MF, Frank K, Frauchiger S, Harris S, He Y, Hekmat-Nejad M, Hendricks T, Henningsen R, Hilgenkamp R, Ho H, Hoffman A, Hsu PY, Hu DQ, Itano A, Jaime-Figueroa S, Jahangir A, Jin S, Kuglstatter A, Kutach AK, Liao C, Lynch S, Menke J, Niu L, Patel V, Railkar A, Roy D, Shao A, Shaw D, Steiner S, Sun Y, Tan SL, Wang S, Vu MD.
3-Amido pyrrolopyrazine JAK kinase inhibitors: development of a JAK3 vs JAK1 selective inhibitor and evaluation in... Soth M, Hermann JC, Yee C, Alam M, Barnett JW, Berry P, Browner MF, Frank K, Frauchiger S, Harris S, He Y, Hekmat-Nejad M, Hendricks T, Henningsen R, Hilgenkamp R, Ho H, Hoffman A, Hsu PY, Hu DQ, Itano A, Jaime-Figueroa S, Jahangir A, Jin S, Kuglstatter A, Kutach AK, Liao C, Lynch S, Menke J, Niu L, Patel V, Railkar A, Roy D, Shao A, Shaw D, Steiner S, Sun Y, Tan SL, Wang S, Vu MD.: 3-Amido pyrrolopyrazine JAK kinase inhibitors: development of a JAK3 vs JAK1 selective inhibitor and evaluation in cellular and in vivo models. J Med Chem, Volume 56 (1), 2013 J Med Chem 2013 23214979
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Soth MJ, Le K, Di Francesco ME, Hamilton MM, Liu G, Burke...
Soth MJ, Le K, Di Francesco ME, Hamilton MM, Liu G, Burke JP, Carroll CL, Kovacs JJ, Bardenhagen JP, Bristow CA, Cardozo M, Czako B, de Stanchina E, Feng N, Garvey JR, Gay JP, Do MKG, Greer J, Han M, Harris A, Herrera Z, Huang S, Giuliani V, Jiang Y, Johnson SB, Johnson TA, Kang Z, Leonard PG, Liu Z, McAfoos T, Miller M, Morlacchi P, Mullinax RA, Palmer WS, Pang J, Rogers N, Rudin CM, Shepard HE, Spencer ND, Theroff J, Wu Q, Xu A, Yau JA, Draetta G, Toniatti C, Heffernan TP, Jones P.
Discovery of IPN60090, a Clinical Stage Selective Glutaminase-1 (GLS-1) Inhibitor with Excellent Pharmacokinetic and... Soth MJ, Le K, Di Francesco ME, Hamilton MM, Liu G, Burke JP, Carroll CL, Kovacs JJ, Bardenhagen JP, Bristow CA, Cardozo M, Czako B, de Stanchina E, Feng N, Garvey JR, Gay JP, Do MKG, Greer J, Han M, Harris A, Herrera Z, Huang S, Giuliani V, Jiang Y, Johnson SB, Johnson TA, Kang Z, Leonard PG, Liu Z, McAfoos T, Miller M, Morlacchi P, Mullinax RA, Palmer WS, Pang J, Rogers N, Rudin CM, Shepard HE, Spencer ND, Theroff J, Wu Q, Xu A, Yau JA, Draetta G, Toniatti C, Heffernan TP, Jones P.: Discovery of IPN60090, a Clinical Stage Selective Glutaminase-1 (GLS-1) Inhibitor with Excellent Pharmacokinetic and Physicochemical Properties. J Med Chem, Volume 63 (21), 2020 J Med Chem 2020 33118821
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Soumyanarayanan U, Ramanujulu PM, Mustafa N, Haider S, Fang...
Soumyanarayanan U, Ramanujulu PM, Mustafa N, Haider S, Fang Nee AH, Tong JX, Tan KSW, Chng WJ, Dymock BW.
Discovery of a potent histone deacetylase (HDAC) 3/6 selective dual inhibitor. Soumyanarayanan U, Ramanujulu PM, Mustafa N, Haider S, Fang Nee AH, Tong JX, Tan KSW, Chng WJ, Dymock BW.: Discovery of a potent histone deacetylase (HDAC) 3/6 selective dual inhibitor. Eur J Med Chem, Volume 184, 2019 Eur J Med Chem 2019 31627059
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Emília Sousa, Andreia Palmeira, Ana Sara Cordeiro, Bruno...
Emília Sousa, Andreia Palmeira, Ana Sara Cordeiro, Bruno Sarmento, Domingos Ferreira, Raquel T. Lima, M. Helena Vasconcelos & Madalena Pinto
Bioactive xanthones with effect on P-glycoprotein and prediction of intestinal absorption Sousa, E., Palmeira, A., Cordeiro, A.S. et al. Bioactive xanthones with effect on P-glycoprotein and prediction of intestinal absorption. Med Chem Res 22, 2115–2123 (2013). https://doi.org/10.1007/s00044-012-0203-y Medicinal Chemistry Research 2012 10.1007/s00044-...
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Sozio P, Fiorito J, Di Giacomo V, Di Stefano A, Marinelli...
Sozio P, Fiorito J, Di Giacomo V, Di Stefano A, Marinelli L, Cacciatore I, Cataldi A, Pacella S, Turkez H, Parenti C, Rescifina A, Marrazzo A.
Haloperidol metabolite II prodrug: asymmetric synthesis and biological evaluation on rat C6 glioma cells. Sozio P, Fiorito J, Di Giacomo V, Di Stefano A, Marinelli L, Cacciatore I, Cataldi A, Pacella S, Turkez H, Parenti C, Rescifina A, Marrazzo A.: Haloperidol metabolite II prodrug: asymmetric synthesis and biological evaluation on rat C6 glioma cells. Eur J Med Chem, Volume 90, 2015 Eur J Med Chem 2015 25461306
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Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A,...
Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.
Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007 Bioorg Med Chem Lett 2007 17097290
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Sparks SM, Spearing PK, Diaz CJ, Cowan DJ, Jayawickreme C,...
Sparks SM, Spearing PK, Diaz CJ, Cowan DJ, Jayawickreme C, Chen G, Rimele TJ, Generaux C, Harston LT, Roller SG.
Identification of potent, nonabsorbable agonists of the calcium-sensing receptor for GI-specific administration. Sparks SM, Spearing PK, Diaz CJ, Cowan DJ, Jayawickreme C, Chen G, Rimele TJ, Generaux C, Harston LT, Roller SG.: Identification of potent, nonabsorbable agonists of the calcium-sensing receptor for GI-specific administration. Bioorg Med Chem Lett, Volume 27 (20), 2017 Bioorg Med Chem Lett 2017 28916340
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Sparks SM, Zhou H, Generaux C, Harston L, Moncol D,...
Sparks SM, Zhou H, Generaux C, Harston L, Moncol D, Jayawickreme C, Parham J, Condreay P, Rimele T.
Identification of nonabsorbable inhibitors of the scavenger receptor-BI (SR-BI) for tissue-specific administration. Sparks SM, Zhou H, Generaux C, Harston L, Moncol D, Jayawickreme C, Parham J, Condreay P, Rimele T.: Identification of nonabsorbable inhibitors of the scavenger receptor-BI (SR-BI) for tissue-specific administration. Bioorg Med Chem Lett, Volume 26 (8), 2016 Bioorg Med Chem Lett 2016 26988301
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Sparling BA, Yi S, Able J, Bregman H, DiMauro EF, Foti RS,...
Sparling BA, Yi S, Able J, Bregman H, DiMauro EF, Foti RS, Gao H, Guzman-Perez A, Huang H, Jarosh M, Kornecook T, Ligutti J, Milgram BC, Moyer BD, Youngblood B, Yu VL, Weiss MM.
Discovery and hit-to-lead evaluation of piperazine amides as selective, state-dependent NaV1.7 inhibitors. Sparling BA, Yi S, Able J, Bregman H, DiMauro EF, Foti RS, Gao H, Guzman-Perez A, Huang H, Jarosh M, Kornecook T, Ligutti J, Milgram BC, Moyer BD, Youngblood B, Yu VL, Weiss MM.: Discovery and hit-to-lead evaluation of piperazine amides as selective, state-dependent NaV1.7 inhibitors. Medchemcomm, Volume 8 (4), 2017 Medchemcomm 2017 30108793
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Spencer JA, Baldwin IR, Barton N, Chung CW, Convery MA,...
Spencer JA, Baldwin IR, Barton N, Chung CW, Convery MA, Edwards CD, Jamieson C, Mallett DN, Rowedder JE, Rowland P, Thomas DA, Hardy CJ.
Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase δ. Spencer JA, Baldwin IR, Barton N, Chung CW, Convery MA, Edwards CD, Jamieson C, Mallett DN, Rowedder JE, Rowland P, Thomas DA, Hardy CJ.: Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase δ. ACS Med Chem Lett, Volume 11 (7), 2020 ACS Med Chem Lett 2020 32676144
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Srivastava AS, Ko S, Watterson SH, Pattoli MA, Skala S,...
Srivastava AS, Ko S, Watterson SH, Pattoli MA, Skala S, Cheng L, Obermeier MT, Vickery R, Discenza LN, D'Arienzo CJ, Gillooly KM, Taylor TL, Pulicicchio C, McIntyre KW, Yip S, Li P, Sun D, Wu DR, Dai J, Wang C, Zhang Y, Wang B, Pawluczyk J, Kempson J, Zhao R, Hou X, Rampulla R, Mathur A, Galella MA, Salter-Cid L, Barrish JC, Carter PH, Fura A, Burke JR, Tino JA.
Driving Potency with Rotationally Stable Atropisomers: Discovery of Pyridopyrimidinedione-Carbazole Inhibitors of BTK. Srivastava AS, Ko S, Watterson SH, Pattoli MA, Skala S, Cheng L, Obermeier MT, Vickery R, Discenza LN, D'Arienzo CJ, Gillooly KM, Taylor TL, Pulicicchio C, McIntyre KW, Yip S, Li P, Sun D, Wu DR, Dai J, Wang C, Zhang Y, Wang B, Pawluczyk J, Kempson J, Zhao R, Hou X, Rampulla R, Mathur A, Galella MA, Salter-Cid L, Barrish JC, Carter PH, Fura A, Burke JR, Tino JA.: Driving Potency with Rotationally Stable Atropisomers: Discovery of Pyridopyrimidinedione-Carbazole Inhibitors of BTK. ACS Med Chem Lett, Volume 11 (11), 2020 ACS Med Chem Lett 2020 33214829
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Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP,...
Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.
Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with... Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019 Eur J Med Chem 2019 30503937
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Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.
Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.
Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase,... Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019 Bioorg Med Chem 2019 31288978
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St Laurent DR, Belema M, Gao M, Goodrich J, Kakarla R,...
St Laurent DR, Belema M, Gao M, Goodrich J, Kakarla R, Knipe JO, Lemm JA, Liu M, Lopez OD, Nguyen VN, Nower PT, O'Boyle D, Qiu Y, Romine JL, Serrano-Wu MH, Sun JH, Valera L, Yang F, Yang X, Meanwell NA, Snyder LB.
HCV NS5A replication complex inhibitors. Part 2: investigation of stilbene prolinamides. St Laurent DR, Belema M, Gao M, Goodrich J, Kakarla R, Knipe JO, Lemm JA, Liu M, Lopez OD, Nguyen VN, Nower PT, O'Boyle D, Qiu Y, Romine JL, Serrano-Wu MH, Sun JH, Valera L, Yang F, Yang X, Meanwell NA, Snyder LB.: HCV NS5A replication complex inhibitors. Part 2: investigation of stilbene prolinamides. Bioorg Med Chem Lett, Volume 22 (19), 2012 Bioorg Med Chem Lett 2012 22959243
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Staben ST, Blaquiere N, Tsui V, Kolesnikov A, Do S, Bradley...
Staben ST, Blaquiere N, Tsui V, Kolesnikov A, Do S, Bradley EK, Dotson J, Goldsmith R, Heffron TP, Lesnick J, Lewis C, Murray J, Nonomiya J, Olivero AG, Pang J, Rouge L, Salphati L, Wei B, Wiesmann C, Wu P.
Cis-amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase. Staben ST, Blaquiere N, Tsui V, Kolesnikov A, Do S, Bradley EK, Dotson J, Goldsmith R, Heffron TP, Lesnick J, Lewis C, Murray J, Nonomiya J, Olivero AG, Pang J, Rouge L, Salphati L, Wei B, Wiesmann C, Wu P.: Cis-amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 23 (3), 2013 Bioorg Med Chem Lett 2013 23265894
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Staben ST, Feng JA, Lyle K, Belvin M, Boggs J, Burch JD,...
Staben ST, Feng JA, Lyle K, Belvin M, Boggs J, Burch JD, Chua CC, Cui H, DiPasquale AG, Friedman LS, Heise C, Koeppen H, Kotey A, Mintzer R, Oh A, Roberts DA, Rouge L, Rudolph J, Tam C, Wang W, Xiao Y, Young A, Zhang Y, Hoeflich KP.
Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors. Staben ST, Feng JA, Lyle K, Belvin M, Boggs J, Burch JD, Chua CC, Cui H, DiPasquale AG, Friedman LS, Heise C, Koeppen H, Kotey A, Mintzer R, Oh A, Roberts DA, Rouge L, Rudolph J, Tam C, Wang W, Xiao Y, Young A, Zhang Y, Hoeflich KP.: Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors. J Med Chem, Volume 57 (3), 2014 J Med Chem 2014 24432870
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Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM,...
Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.
Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010 Bioorg Med Chem Lett 2010 20822905
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Staben ST, Ndubaku C, Blaquiere N, Belvin M, Bull RJ,...
Staben ST, Ndubaku C, Blaquiere N, Belvin M, Bull RJ, Dudley D, Edgar K, Gray D, Heald R, Heffron TP, Jones GE, Jones M, Kolesnikov A, Lee L, Lesnick J, Lewis C, Murray J, McLean NJ, Nonomiya J, Olivero AG, Ord R, Pang J, Price S, Prior WW, Rouge L, Salphati L, Sampath D, Wallin J, Wang L, Wei B, Weismann C, Wu P.
Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase β isoform. Staben ST, Ndubaku C, Blaquiere N, Belvin M, Bull RJ, Dudley D, Edgar K, Gray D, Heald R, Heffron TP, Jones GE, Jones M, Kolesnikov A, Lee L, Lesnick J, Lewis C, Murray J, McLean NJ, Nonomiya J, Olivero AG, Ord R, Pang J, Price S, Prior WW, Rouge L, Salphati L, Sampath D, Wallin J, Wang L, Wei B, Weismann C, Wu P.: Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase β isoform. Bioorg Med Chem Lett, Volume 23 (9), 2013 Bioorg Med Chem Lett 2013 23540645
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Stachel SJ, Coburn CA, Sankaranarayanan S, Price EA, Wu G,...
Stachel SJ, Coburn CA, Sankaranarayanan S, Price EA, Wu G, Crouthamel M, Pietrak BL, Huang Q, Lineberger J, Espeseth AS, Jin L, Ellis J, Holloway MK, Munshi S, Allison T, Hazuda D, Simon AJ, Graham SL, Vacca JP.
Macrocyclic inhibitors of beta-secretase: functional activity in an animal model. Stachel SJ, Coburn CA, Sankaranarayanan S, Price EA, Wu G, Crouthamel M, Pietrak BL, Huang Q, Lineberger J, Espeseth AS, Jin L, Ellis J, Holloway MK, Munshi S, Allison T, Hazuda D, Simon AJ, Graham SL, Vacca JP.: Macrocyclic inhibitors of beta-secretase: functional activity in an animal model. J Med Chem, Volume 49 (21), 2006 J Med Chem 2006 17034118
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Stachel SJ, Zerbinatti C, Rudd MT, Cosden M, Suon S, Nanda...
Stachel SJ, Zerbinatti C, Rudd MT, Cosden M, Suon S, Nanda KK, Wessner K, DiMuzio J, Maxwell J, Wu Z, Uslaner JM, Michener MS, Szczerba P, Brnardic E, Rada V, Kim Y, Meissner R, Wuelfing P, Yuan Y, Ballard J, Holahan M, Klein DJ, Lu J, Fradera X, Parthasarathy G, Uebele VN, Chen Z, Li Y, Li J, Cooke AJ, Bennett DJ, Bilodeau MT, Renger J.
Identification and in Vivo Evaluation of Liver X Receptor β-Selective Agonists for the Potential Treatment of... Stachel SJ, Zerbinatti C, Rudd MT, Cosden M, Suon S, Nanda KK, Wessner K, DiMuzio J, Maxwell J, Wu Z, Uslaner JM, Michener MS, Szczerba P, Brnardic E, Rada V, Kim Y, Meissner R, Wuelfing P, Yuan Y, Ballard J, Holahan M, Klein DJ, Lu J, Fradera X, Parthasarathy G, Uebele VN, Chen Z, Li Y, Li J, Cooke AJ, Bennett DJ, Bilodeau MT, Renger J.: Identification and in Vivo Evaluation of Liver X Receptor β-Selective Agonists for the Potential Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (7), 2016 J Med Chem 2016 27011007
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Staderini M, Aulić S, Bartolini M, Tran HN, González-Ruiz...
Staderini M, Aulić S, Bartolini M, Tran HN, González-Ruiz V, Pérez DI, Cabezas N, Martínez A, Martín MA, Andrisano V, Legname G, Menéndez JC, Bolognesi ML.
A Fluorescent Styrylquinoline with Combined Therapeutic and Diagnostic Activities against Alzheimer's and Prion... Staderini M, Aulić S, Bartolini M, Tran HN, González-Ruiz V, Pérez DI, Cabezas N, Martínez A, Martín MA, Andrisano V, Legname G, Menéndez JC, Bolognesi ML.: A Fluorescent Styrylquinoline with Combined Therapeutic and Diagnostic Activities against Alzheimer's and Prion Diseases. ACS Med Chem Lett, Volume 4 (2), 2013 ACS Med Chem Lett 2013 24900645
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Staedler D, Chapuis-Bernasconi C, Dehmlow H, Fischer H,...
Staedler D, Chapuis-Bernasconi C, Dehmlow H, Fischer H, Juillerat-Jeanneret L, Aebi JD.
Cytotoxic effects of combination of oxidosqualene cyclase inhibitors with atorvastatin in human cancer cells. Staedler D, Chapuis-Bernasconi C, Dehmlow H, Fischer H, Juillerat-Jeanneret L, Aebi JD.: Cytotoxic effects of combination of oxidosqualene cyclase inhibitors with atorvastatin in human cancer cells. J Med Chem, Volume 55 (11), 2012 J Med Chem 2012 22533316
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Stamford AW, Scott JD, Li SW, Babu S, Tadesse D, Hunter R,...
Stamford AW, Scott JD, Li SW, Babu S, Tadesse D, Hunter R, Wu Y, Misiaszek J, Cumming JN, Gilbert EJ, Huang C, McKittrick BA, Hong L, Guo T, Zhu Z, Strickland C, Orth P, Voigt JH, Kennedy ME, Chen X, Kuvelkar R, Hodgson R, Hyde LA, Cox K, Favreau L, Parker EM, Greenlee WJ.
Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS Aβ Reduction. Stamford AW, Scott JD, Li SW, Babu S, Tadesse D, Hunter R, Wu Y, Misiaszek J, Cumming JN, Gilbert EJ, Huang C, McKittrick BA, Hong L, Guo T, Zhu Z, Strickland C, Orth P, Voigt JH, Kennedy ME, Chen X, Kuvelkar R, Hodgson R, Hyde LA, Cox K, Favreau L, Parker EM, Greenlee WJ.: Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS Aβ Reduction. ACS Med Chem Lett, Volume 3 (11), 2012 ACS Med Chem Lett 2012 23412139
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Stammers TA, Coulombe R, Duplessis M, Fazal G, Gagnon A,...
Stammers TA, Coulombe R, Duplessis M, Fazal G, Gagnon A, Garneau M, Goulet S, Jakalian A, LaPlante S, Rancourt J, Thavonekham B, Wernic D, Kukolj G, Beaulieu PL.
Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based... Stammers TA, Coulombe R, Duplessis M, Fazal G, Gagnon A, Garneau M, Goulet S, Jakalian A, LaPlante S, Rancourt J, Thavonekham B, Wernic D, Kukolj G, Beaulieu PL.: Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay. Bioorg Med Chem Lett, Volume 23 (24), 2013 Bioorg Med Chem Lett 2013 24176401
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Stammers TA, Coulombe R, Rancourt J, Thavonekham B, Fazal...
Stammers TA, Coulombe R, Rancourt J, Thavonekham B, Fazal G, Goulet S, Jakalian A, Wernic D, Tsantrizos Y, Poupart MA, Bös M, McKercher G, Thauvette L, Kukolj G, Beaulieu PL.
Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors. Stammers TA, Coulombe R, Rancourt J, Thavonekham B, Fazal G, Goulet S, Jakalian A, Wernic D, Tsantrizos Y, Poupart MA, Bös M, McKercher G, Thauvette L, Kukolj G, Beaulieu PL.: Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors. Bioorg Med Chem Lett, Volume 23 (9), 2013 Bioorg Med Chem Lett 2013 23545108
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Stec J, Onajole OK, Lun S, Guo H, Merenbloom B, Vistoli G,...
Stec J, Onajole OK, Lun S, Guo H, Merenbloom B, Vistoli G, Bishai WR, Kozikowski AP.
Indole-2-carboxamide-based MmpL3 Inhibitors Show Exceptional Antitubercular Activity in an Animal Model of Tuberculosis... Stec J, Onajole OK, Lun S, Guo H, Merenbloom B, Vistoli G, Bishai WR, Kozikowski AP.: Indole-2-carboxamide-based MmpL3 Inhibitors Show Exceptional Antitubercular Activity in an Animal Model of Tuberculosis Infection. J Med Chem, Volume 59 (13), 2016 J Med Chem 2016 27275668
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Stefanucci A, Dimmito MP, Macedonio G, Ciarlo L, Pieretti...
Stefanucci A, Dimmito MP, Macedonio G, Ciarlo L, Pieretti S, Novellino E, Lei W, Barlow D, Houseknecht KL, Streicher JM, Mollica A.
Potent, Efficacious, and Stable Cyclic Opioid Peptides with Long Lasting Antinociceptive Effect after Peripheral... Stefanucci A, Dimmito MP, Macedonio G, Ciarlo L, Pieretti S, Novellino E, Lei W, Barlow D, Houseknecht KL, Streicher JM, Mollica A.: Potent, Efficacious, and Stable Cyclic Opioid Peptides with Long Lasting Antinociceptive Effect after Peripheral Administration. J Med Chem, Volume 63 (5), 2020 J Med Chem 2020 31834798
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Stehouwer JS, Daniel LM, Chen P, Voll RJ, Williams L, Plott...
Stehouwer JS, Daniel LM, Chen P, Voll RJ, Williams L, Plott SJ, Votaw JR, Owens MJ, Howell L, Goodman MM.
Synthesis, fluorine-18 radiolabeling, and biological evaluation of... Stehouwer JS, Daniel LM, Chen P, Voll RJ, Williams L, Plott SJ, Votaw JR, Owens MJ, Howell L, Goodman MM.: Synthesis, fluorine-18 radiolabeling, and biological evaluation of N-((E)-4-fluorobut-2-en-1-yl)-2beta-carbomethoxy-3beta-(4'-halophenyl)nortropanes: candidate radioligands for in vivo imaging of the brain dopamine transporter with positron emission tomography. J Med Chem, Volume 53 (15), 2010 J Med Chem 2010 20597489
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Steiger SA, Li C, Backos DS, Reigan P, Natale NR.
Steiger SA, Li C, Backos DS, Reigan P, Natale NR.
Dimeric isoxazolyl-1,4-dihydropyridines have enhanced binding at the multi-drug resistance transporter. Steiger SA, Li C, Backos DS, Reigan P, Natale NR.: Dimeric isoxazolyl-1,4-dihydropyridines have enhanced binding at the multi-drug resistance transporter. Bioorg Med Chem, Volume 25 (12), 2017 Bioorg Med Chem 2017 28434782
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Steinig AG, Li AH, Wang J, Chen X, Dong H, Ferraro C, Jin...
Steinig AG, Li AH, Wang J, Chen X, Dong H, Ferraro C, Jin M, Kadalbajoo M, Kleinberg A, Stolz KM, Tavares-Greco PA, Wang T, Albertella MR, Peng Y, Crew L, Kahler J, Kan J, Schulz R, Cooke A, Bittner M, Turton RW, Franklin M, Gokhale P, Landfair D, Mantis C, Workman J, Wild R, Pachter J, Epstein D, Mulvihill MJ.
Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases. Steinig AG, Li AH, Wang J, Chen X, Dong H, Ferraro C, Jin M, Kadalbajoo M, Kleinberg A, Stolz KM, Tavares-Greco PA, Wang T, Albertella MR, Peng Y, Crew L, Kahler J, Kan J, Schulz R, Cooke A, Bittner M, Turton RW, Franklin M, Gokhale P, Landfair D, Mantis C, Workman J, Wild R, Pachter J, Epstein D, Mulvihill MJ.: Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases. Bioorg Med Chem Lett, Volume 23 (15), 2013 Bioorg Med Chem Lett 2013 23773865
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Stenberg P, Norinder U, Luthman K, Artursson P.
Stenberg P, Norinder U, Luthman K, Artursson P.
Experimental and computational screening models for the prediction of intestinal drug absorption. Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001 J Med Chem 2001 11384238
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Stensbøl TB, Uhlmann P, Morel S, Eriksen BL, Felding J,...
Stensbøl TB, Uhlmann P, Morel S, Eriksen BL, Felding J, Kromann H, Hermit MB, Greenwood JR, Braüner-Osborne H, Madsen U, Junager F, Krogsgaard-Larsen P, Begtrup M, Vedsø P.
Novel 1-hydroxyazole bioisosteres of glutamic acid. Synthesis, protolytic properties, and pharmacology. Stensbøl TB, Uhlmann P, Morel S, Eriksen BL, Felding J, Kromann H, Hermit MB, Greenwood JR, Braüner-Osborne H, Madsen U, Junager F, Krogsgaard-Larsen P, Begtrup M, Vedsø P.: Novel 1-hydroxyazole bioisosteres of glutamic acid. Synthesis, protolytic properties, and pharmacology. J Med Chem, Volume 45 (1), 2002 J Med Chem 2002 11754576
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Total active interactions: 2
Stocking EM, Aluisio L, Atack JR, Bonaventure P, Carruthers...
Stocking EM, Aluisio L, Atack JR, Bonaventure P, Carruthers NI, Dugovic C, Everson A, Fraser I, Jiang X, Leung P, Lord B, Ly KS, Morton KL, Nepomuceno D, Shah CR, Shelton J, Soyode-Johnson A, Letavic MA.
Novel substituted pyrrolidines are high affinity histamine H3 receptor antagonists. Stocking EM, Aluisio L, Atack JR, Bonaventure P, Carruthers NI, Dugovic C, Everson A, Fraser I, Jiang X, Leung P, Lord B, Ly KS, Morton KL, Nepomuceno D, Shah CR, Shelton J, Soyode-Johnson A, Letavic MA.: Novel substituted pyrrolidines are high affinity histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (9), 2010 Bioorg Med Chem Lett 2010 20382018
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Stokes SS, Huynh H, Gowravaram M, Albert R, Cavero-Tomas M,...
Stokes SS, Huynh H, Gowravaram M, Albert R, Cavero-Tomas M, Chen B, Harang J, Loch JT, Lu M, Mullen GB, Zhao S, Liu CF, Mills SD.
Discovery of bacterial NAD+-dependent DNA ligase inhibitors: optimization of antibacterial activity. Stokes SS, Huynh H, Gowravaram M, Albert R, Cavero-Tomas M, Chen B, Harang J, Loch JT, Lu M, Mullen GB, Zhao S, Liu CF, Mills SD.: Discovery of bacterial NAD+-dependent DNA ligase inhibitors: optimization of antibacterial activity. Bioorg Med Chem Lett, Volume 21 (15), 2011 Bioorg Med Chem Lett 2011 21719282
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Stoltz KL, Erickson R, Staley C, Weingarden AR, Romens E,...
Stoltz KL, Erickson R, Staley C, Weingarden AR, Romens E, Steer CJ, Khoruts A, Sadowsky MJ, Dosa PI.
Synthesis and Biological Evaluation of Bile Acid Analogues Inhibitory to Clostridium difficile Spore Germination. Stoltz KL, Erickson R, Staley C, Weingarden AR, Romens E, Steer CJ, Khoruts A, Sadowsky MJ, Dosa PI.: Synthesis and Biological Evaluation of Bile Acid Analogues Inhibitory to Clostridium difficile Spore Germination. J Med Chem, Volume 60 (8), 2017 J Med Chem 2017 28402634
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Storer RI, Brennan PE, Brown AD, Bungay PJ, Conlon KM,...
Storer RI, Brennan PE, Brown AD, Bungay PJ, Conlon KM, Corbett MS, DePianta RP, Fish PV, Heifetz A, Ho DK, Jessiman AS, McMurray G, de Oliveira CA, Roberts LR, Root JA, Shanmugasundaram V, Shapiro MJ, Skerten M, Westbrook D, Wheeler S, Whitlock GA, Wright J.
Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C... Storer RI, Brennan PE, Brown AD, Bungay PJ, Conlon KM, Corbett MS, DePianta RP, Fish PV, Heifetz A, Ho DK, Jessiman AS, McMurray G, de Oliveira CA, Roberts LR, Root JA, Shanmugasundaram V, Shapiro MJ, Skerten M, Westbrook D, Wheeler S, Whitlock GA, Wright J.: Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT₂C) receptor agonists with exquisite functional selectivity over 5-HT₂A and 5-HT₂B receptors. J Med Chem, Volume 57 (12), 2014 J Med Chem 2014 24878222
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Stotz SC, Vriens J, Martyn D, Clardy J, Clapham DE.
Stotz SC, Vriens J, Martyn D, Clardy J, Clapham DE.
Citral sensing by Transient [corrected] receptor potential channels in dorsal root ganglion neurons. Stotz SC, Vriens J, Martyn D, Clardy J, Clapham DE.: Citral sensing by Transient [corrected] receptor potential channels in dorsal root ganglion neurons. PLoS One, Volume 3 (5), 2008 PLoS One 2008 18461159
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Strappaghetti G, Mastrini L, Lucacchini A, Giannaccini G,...
Strappaghetti G, Mastrini L, Lucacchini A, Giannaccini G, Betti L, Fabbrini L.
Synthesis and biological affinity of new imidazo- and indol-arylpiperazine derivatives: further validation of a... Strappaghetti G, Mastrini L, Lucacchini A, Giannaccini G, Betti L, Fabbrini L.: Synthesis and biological affinity of new imidazo- and indol-arylpiperazine derivatives: further validation of a pharmacophore model for alpha(1)-adrenoceptor antagonists. Bioorg Med Chem Lett, Volume 18 (18), 2008 Bioorg Med Chem Lett 2008 18760923
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Stupple PA, Batchelor DV, Corless M, Dorr PK, Ellis D,...
Stupple PA, Batchelor DV, Corless M, Dorr PK, Ellis D, Fenwick DR, Galan SR, Jones RM, Mason HJ, Middleton DS, Perros M, Perruccio F, Platts MY, Pryde DC, Rodrigues D, Smith NN, Stephenson PT, Webster R, Westby M, Wood A.
An imidazopiperidine series of CCR5 antagonists for the treatment of HIV: the discovery of... Stupple PA, Batchelor DV, Corless M, Dorr PK, Ellis D, Fenwick DR, Galan SR, Jones RM, Mason HJ, Middleton DS, Perros M, Perruccio F, Platts MY, Pryde DC, Rodrigues D, Smith NN, Stephenson PT, Webster R, Westby M, Wood A.: An imidazopiperidine series of CCR5 antagonists for the treatment of HIV: the discovery of N-{(1S)-1-(3-fluorophenyl)-3-[(3-endo)-3-(5-isobutyryl-2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}acetamide (PF-232798). J Med Chem, Volume 54 (1), 2011 J Med Chem 2011 21128663
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Sturino CF, Bousquet Y, James CA, DeRoy P, Duplessis M,...
Sturino CF, Bousquet Y, James CA, DeRoy P, Duplessis M, Edwards PJ, Halmos T, Minville J, Morency L, Morin S, Thavonekham B, Tremblay M, Duan J, Ribadeneira M, Garneau M, Pelletier A, Tremblay S, Lamorte L, Bethell R, Cordingley MG, Rajotte D, Simoneau B.
Identification of potent and orally bioavailable nucleotide competing reverse transcriptase inhibitors: in vitro and in... Sturino CF, Bousquet Y, James CA, DeRoy P, Duplessis M, Edwards PJ, Halmos T, Minville J, Morency L, Morin S, Thavonekham B, Tremblay M, Duan J, Ribadeneira M, Garneau M, Pelletier A, Tremblay S, Lamorte L, Bethell R, Cordingley MG, Rajotte D, Simoneau B.: Identification of potent and orally bioavailable nucleotide competing reverse transcriptase inhibitors: in vitro and in vivo optimization of a series of benzofurano[3,2-d]pyrimidin-2-one derived inhibitors. Bioorg Med Chem Lett, Volume 23 (13), 2013 Bioorg Med Chem Lett 2013 23673016
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Su DS, Lim JL, Markowitz MK, Wan BL, Murphy KL, Reiss DR,...
Su DS, Lim JL, Markowitz MK, Wan BL, Murphy KL, Reiss DR, Harrell CM, O'Malley SS, Ransom RW, Chang RS, Pettibone DJ, Tang C, Prueksaritanont T, Freidinger RM, Bock MG.
Potent bradykinin B1 receptor antagonists: 4-substituted phenyl cyclohexanes. Su DS, Lim JL, Markowitz MK, Wan BL, Murphy KL, Reiss DR, Harrell CM, O'Malley SS, Ransom RW, Chang RS, Pettibone DJ, Tang C, Prueksaritanont T, Freidinger RM, Bock MG.: Potent bradykinin B1 receptor antagonists: 4-substituted phenyl cyclohexanes. Bioorg Med Chem Lett, Volume 17 (11), 2007 Bioorg Med Chem Lett 2007 17428657
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Su DS, Lim JL, Tinney E, Wan BL, Murphy KL, Reiss DR,...
Su DS, Lim JL, Tinney E, Wan BL, Murphy KL, Reiss DR, Harrell CM, O'Malley SS, Ransom RW, Chang RS, Pettibone DJ, Yu J, Tang C, Prueksaritanont T, Freidinger RM, Bock MG, Anthony NJ.
2-Aminobenzophenones as a novel class of bradykinin B1 receptor antagonists. Su DS, Lim JL, Tinney E, Wan BL, Murphy KL, Reiss DR, Harrell CM, O'Malley SS, Ransom RW, Chang RS, Pettibone DJ, Yu J, Tang C, Prueksaritanont T, Freidinger RM, Bock MG, Anthony NJ.: 2-Aminobenzophenones as a novel class of bradykinin B1 receptor antagonists. J Med Chem, Volume 51 (13), 2008 J Med Chem 2008 18553956
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Su H, Zou Y, Chen G, Dou H, Xie H, Yuan X, Zhang X, Zhang...
Su H, Zou Y, Chen G, Dou H, Xie H, Yuan X, Zhang X, Zhang N, Li M, Xu Y.
Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors... Su H, Zou Y, Chen G, Dou H, Xie H, Yuan X, Zhang X, Zhang N, Li M, Xu Y.: Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J Med Chem, Volume 63 (8), 2020 J Med Chem 2020 32202425
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Su Q, Banks E, Bebernitz G, Bell K, Borenstein CF, Chen H,...
Su Q, Banks E, Bebernitz G, Bell K, Borenstein CF, Chen H, Chuaqui CE, Deng N, Ferguson AD, Kawatkar S, Grimster NP, Ruston L, Lyne PD, Read JA, Peng X, Pei X, Fawell S, Tang Z, Throner S, Vasbinder MM, Wang H, Winter-Holt J, Woessner R, Wu A, Yang W, Zinda M, Kettle JG.
Discovery of... Su Q, Banks E, Bebernitz G, Bell K, Borenstein CF, Chen H, Chuaqui CE, Deng N, Ferguson AD, Kawatkar S, Grimster NP, Ruston L, Lyne PD, Read JA, Peng X, Pei X, Fawell S, Tang Z, Throner S, Vasbinder MM, Wang H, Winter-Holt J, Woessner R, Wu A, Yang W, Zinda M, Kettle JG.: Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor. J Med Chem, Volume 63 (9), 2020 J Med Chem 2020 32297743
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Su Y, Zhang X, Sinko PJ.
Su Y, Zhang X, Sinko PJ.
Human organic anion-transporting polypeptide OATP-A (SLC21A3) acts in concert with P-glycoprotein and multidrug... Su Y, Zhang X, Sinko PJ.: Human organic anion-transporting polypeptide OATP-A (SLC21A3) acts in concert with P-glycoprotein and multidrug resistance protein 2 in the vectorial transport of Saquinavir in Hep G2 cells. Mol Pharm, Volume 1 (1), 2004 Mol Pharm 2004 15832500
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Subbaiah MAM, Meanwell NA, Kadow JF, Subramani L, Annadurai...
Subbaiah MAM, Meanwell NA, Kadow JF, Subramani L, Annadurai M, Ramar T, Desai SD, Sinha S, Subramanian M, Mandlekar S, Sridhar S, Padmanabhan S, Bhutani P, Arla R, Jenkins SM, Krystal MR, Wang C, Sarabu R.
Coupling of an Acyl Migration Prodrug Strategy with Bio-activation To Improve Oral Delivery of the HIV-1 Protease... Subbaiah MAM, Meanwell NA, Kadow JF, Subramani L, Annadurai M, Ramar T, Desai SD, Sinha S, Subramanian M, Mandlekar S, Sridhar S, Padmanabhan S, Bhutani P, Arla R, Jenkins SM, Krystal MR, Wang C, Sarabu R.: Coupling of an Acyl Migration Prodrug Strategy with Bio-activation To Improve Oral Delivery of the HIV-1 Protease Inhibitor Atazanavir. J Med Chem, Volume 61 (9), 2018 J Med Chem 2018 29693401
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Subbaiah MAM.
Subbaiah MAM.
Triple Reuptake Inhibitors as Potential Therapeutics for Depression and Other Disorders: Design Paradigm and... Subbaiah MAM.: Triple Reuptake Inhibitors as Potential Therapeutics for Depression and Other Disorders: Design Paradigm and Developmental Challenges. J Med Chem, Volume 61 (6), 2018 J Med Chem 2018 28731336
Total substances: 6
Total passive interactions: 0
Total active interactions: 10
Subramanian G, Bowen SJ, Zhu Y, Roush N, Zachary T, Javens...
Subramanian G, Bowen SJ, Zhu Y, Roush N, Zachary T, Javens C, Williams T, Janssen A, Gonzales A.
Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA). Subramanian G, Bowen SJ, Zhu Y, Roush N, Zachary T, Javens C, Williams T, Janssen A, Gonzales A.: Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA). Bioorg Med Chem Lett, Volume 29 (19), 2019 Bioorg Med Chem Lett 2019 31444087
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Subramanian G, Kitchen DB.
Subramanian G, Kitchen DB.
Computational approaches for modeling human intestinal absorption and permeability. Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006 J Mol Model 2006 16583199
Total substances: 112
Total passive interactions: 226
Total active interactions: 0
Subramanian G, Vairagoundar R, Bowen SJ, Roush N, Zachary...
Subramanian G, Vairagoundar R, Bowen SJ, Roush N, Zachary T, Javens C, Williams T, Janssen A, Gonzales A.
Synthetic inhibitor leads of human tropomyosin receptor kinase A (hTrkA). Subramanian G, Vairagoundar R, Bowen SJ, Roush N, Zachary T, Javens C, Williams T, Janssen A, Gonzales A.: Synthetic inhibitor leads of human tropomyosin receptor kinase A (hTrkA). RSC Med Chem, Volume 11 (3), 2020 RSC Med Chem 2020 33479642
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Subramanian G, Zhu Y, Bowen SJ, Roush N, White JA, Huczek...
Subramanian G, Zhu Y, Bowen SJ, Roush N, White JA, Huczek D, Zachary T, Javens C, Williams T, Janssen A, Gonzales A.
Lead identification and characterization of hTrkA type 2 inhibitors. Subramanian G, Zhu Y, Bowen SJ, Roush N, White JA, Huczek D, Zachary T, Javens C, Williams T, Janssen A, Gonzales A.: Lead identification and characterization of hTrkA type 2 inhibitors. Bioorg Med Chem Lett, Volume 29 (22), 2019 Bioorg Med Chem Lett 2019 31610943
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Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata...
Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.
Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1... Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011 J Med Chem 2011 21141920
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Sugano K, Hamada H, Machida M, Ushio H.
Sugano K, Hamada H, Machida M, Ushio H.
High throughput prediction of oral absorption: improvement of the composition of the lipid solution used in parallel... Sugano K, Hamada H, Machida M, Ushio H.: High throughput prediction of oral absorption: improvement of the composition of the lipid solution used in parallel artificial membrane permeation assay. J Biomol Screen, Volume 6 (3), 189-196, 2001 J Biomol Screen 2001 11689115
Total substances: 30
Total passive interactions: 51
Total active interactions: 0
Sugano K, Nabuchi Y, Machida M, Aso Y.
Sugano K, Nabuchi Y, Machida M, Aso Y.
Prediction of human intestinal permeability using artificial membrane permeability. Sugano K, Nabuchi Y, Machida M, Aso Y.: Prediction of human intestinal permeability using artificial membrane permeability. Int J Pharm, Volume 257 (1-2), 245-251, 2003 Int J Pharm 2003 12711179
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Sugano K, Takata N, Machida M, Saitoh K, Terada K.
Sugano K, Takata N, Machida M, Saitoh K, Terada K.
Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular... Sugano K, Takata N, Machida M, Saitoh K, Terada K.: Prediction of passive intestinal absorption using bio-mimetic artificial membrane permeation assay and the paracellular pathway model. Int J Pharm, Volume 241 (2), 241-251, 2002 Int J Pharm 2002 12100852
Total substances: 66
Total passive interactions: 66
Total active interactions: 0
Suhonen P., Jarvinen T., Peura P., Urtti A.
Suhonen P., Jarvinen T., Peura P., Urtti A.
Permeability of pilocarpic acid diesters across albino rabbit cornea in vitro Suhonen P., Jarvinen T., Peura P., Urtti A.: Permeability of pilocarpic acid diesters across albino rabbit cornea in vitro. Int. J. Pharm., 74, 221–228,1991. Int. J. Pharm. 1991 10.1016/0378-51...
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ,...
Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.
Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. Summerfield SG, Read K, Begley DJ, Obradovic T, Hidalgo IJ, Coggon S, Lewis AV, Porter RA, Jeffrey P.: Central nervous system drug disposition: the relationship between in situ brain permeability and brain free fraction. J Pharmacol Exp Ther, Volume 322 (1), 205-213, 2007 J Pharmacol Exp Ther 2007 17405866
Total substances: 35
Total passive interactions: 35
Total active interactions: 0
Sun H, Shi M, Zhang W, Zheng YM, Xu YZ, Shi JJ, Liu T,...
Sun H, Shi M, Zhang W, Zheng YM, Xu YZ, Shi JJ, Liu T, Gunosewoyo H, Pang T, Gao ZB, Yang F, Tang J, Yu LF.
Development of Novel Alkoxyisoxazoles as Sigma-1 Receptor Antagonists with Antinociceptive Efficacy. Sun H, Shi M, Zhang W, Zheng YM, Xu YZ, Shi JJ, Liu T, Gunosewoyo H, Pang T, Gao ZB, Yang F, Tang J, Yu LF.: Development of Novel Alkoxyisoxazoles as Sigma-1 Receptor Antagonists with Antinociceptive Efficacy. J Med Chem, Volume 59 (13), 2016 J Med Chem 2016 27309376
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Sun J, Dahan A, Amidon GL.
Sun J, Dahan A, Amidon GL.
Enhancing the intestinal absorption of molecules containing the polar guanidino functionality: a double-targeted... Sun J, Dahan A, Amidon GL.: Enhancing the intestinal absorption of molecules containing the polar guanidino functionality: a double-targeted prodrug approach. J Med Chem, Volume 53 (2), 2010 J Med Chem 2010 19957998
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sun S, Zhang Z, Pokrovskaia N, Chowdhury S, Jia Q, Chang E,...
Sun S, Zhang Z, Pokrovskaia N, Chowdhury S, Jia Q, Chang E, Khakh K, Kwan R, McLaren DG, Radomski CC, Ratkay LG, Fu J, Dales NA, Winther MD.
Discovery of triazolone derivatives as novel, potent stearoyl-CoA desaturase-1 (SCD1) inhibitors. Sun S, Zhang Z, Pokrovskaia N, Chowdhury S, Jia Q, Chang E, Khakh K, Kwan R, McLaren DG, Radomski CC, Ratkay LG, Fu J, Dales NA, Winther MD.: Discovery of triazolone derivatives as novel, potent stearoyl-CoA desaturase-1 (SCD1) inhibitors. Bioorg Med Chem, Volume 23 (3), 2015 Bioorg Med Chem 2015 25555732
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Sun S, Zhang Z, Raina V, Pokrovskaia N, Hou D, Namdari R,...
Sun S, Zhang Z, Raina V, Pokrovskaia N, Hou D, Namdari R, Khakh K, Ratkay LG, McLaren DG, Mork M, Fu J, Ferreira S, Hubbard B, Winther MD, Dales N.
Discovery of thiazolylpyridinone SCD1 inhibitors with preferential liver distribution and reduced mechanism-based... Sun S, Zhang Z, Raina V, Pokrovskaia N, Hou D, Namdari R, Khakh K, Ratkay LG, McLaren DG, Mork M, Fu J, Ferreira S, Hubbard B, Winther MD, Dales N.: Discovery of thiazolylpyridinone SCD1 inhibitors with preferential liver distribution and reduced mechanism-based adverse effects. Bioorg Med Chem Lett, Volume 24 (2), 2014 Bioorg Med Chem Lett 2014 24370012
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Sun Y, Chen J, Chen X, Huang L, Li X.
Sun Y, Chen J, Chen X, Huang L, Li X.
Inhibition of cholinesterase and monoamine oxidase-B activity by Tacrine-Homoisoflavonoid hybrids. Sun Y, Chen J, Chen X, Huang L, Li X.: Inhibition of cholinesterase and monoamine oxidase-B activity by Tacrine-Homoisoflavonoid hybrids. Bioorg Med Chem, Volume 21 (23), 2013 Bioorg Med Chem 2013 24128814
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Sun ZY, Asberom T, Bara T, Bennett C, Burnett D, Chu I,...
Sun ZY, Asberom T, Bara T, Bennett C, Burnett D, Chu I, Clader J, Cohen-Williams M, Cole D, Czarniecki M, Durkin J, Gallo G, Greenlee W, Josien H, Huang X, Hyde L, Jones N, Kazakevich I, Li H, Liu X, Lee J, Maccoss M, Mandal MB, McCracken T, Nomeir A, Mazzola R, Palani A, Parker EM, Pissarnitski DA, Qin J, Song L, Terracina G, Vicarel M, Voigt J, Xu R, Zhang L, Zhang Q, Zhao Z, Zhu X, Zhu Z.
Cyclic hydroxyamidines as amide isosteres: discovery of oxadiazolines and oxadiazines as potent and highly efficacious... Sun ZY, Asberom T, Bara T, Bennett C, Burnett D, Chu I, Clader J, Cohen-Williams M, Cole D, Czarniecki M, Durkin J, Gallo G, Greenlee W, Josien H, Huang X, Hyde L, Jones N, Kazakevich I, Li H, Liu X, Lee J, Maccoss M, Mandal MB, McCracken T, Nomeir A, Mazzola R, Palani A, Parker EM, Pissarnitski DA, Qin J, Song L, Terracina G, Vicarel M, Voigt J, Xu R, Zhang L, Zhang Q, Zhao Z, Zhu X, Zhu Z.: Cyclic hydroxyamidines as amide isosteres: discovery of oxadiazolines and oxadiazines as potent and highly efficacious γ-secretase modulators in vivo. J Med Chem, Volume 55 (1), 2012 J Med Chem 2012 22098494
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Sund C, Belda O, Borkakoti N, Lindberg J, Derbyshire D,...
Sund C, Belda O, Borkakoti N, Lindberg J, Derbyshire D, Vrang L, Hamelink E, Åhgren C, Woestenenk E, Wikström K, Eneroth A, Lindström E, Kalayanov G.
Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side... Sund C, Belda O, Borkakoti N, Lindberg J, Derbyshire D, Vrang L, Hamelink E, Åhgren C, Woestenenk E, Wikström K, Eneroth A, Lindström E, Kalayanov G.: Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg Med Chem Lett, Volume 22 (21), 2012 Bioorg Med Chem Lett 2012 23010268
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Sund C, Belda O, Wiktelius D, Sahlberg C, Vrang L, Sedig S,...
Sund C, Belda O, Wiktelius D, Sahlberg C, Vrang L, Sedig S, Hamelink E, Henderson I, Agback T, Jansson K, Borkakoti N, Derbyshire D, Eneroth A, Samuelsson B.
Design and synthesis of potent macrocyclic renin inhibitors. Sund C, Belda O, Wiktelius D, Sahlberg C, Vrang L, Sedig S, Hamelink E, Henderson I, Agback T, Jansson K, Borkakoti N, Derbyshire D, Eneroth A, Samuelsson B.: Design and synthesis of potent macrocyclic renin inhibitors. Bioorg Med Chem Lett, Volume 21 (1), 2011 Bioorg Med Chem Lett 2011 21112780
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Sundaram A, Chen C, Isik Reed N, Liu S, Ki Yeon S, McIntosh...
Sundaram A, Chen C, Isik Reed N, Liu S, Ki Yeon S, McIntosh J, Tang YZ, Yang H, Adler M, Beresis R, Seiple IB, Sheppard D, DeGrado WF, Jo H.
Dual antagonists of α5β1/αvβ1 integrin for airway hyperresponsiveness. Sundaram A, Chen C, Isik Reed N, Liu S, Ki Yeon S, McIntosh J, Tang YZ, Yang H, Adler M, Beresis R, Seiple IB, Sheppard D, DeGrado WF, Jo H.: Dual antagonists of α5β1/αvβ1 integrin for airway hyperresponsiveness. Bioorg Med Chem Lett, Volume 30 (22), 2020 Bioorg Med Chem Lett 2020 33007395
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Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes...
Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.
Design of HIV-1 protease inhibitors active on multidrug-resistant virus. Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005 J Med Chem 2005 15771440
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Sutton JM, Clark DE, Dunsdon SJ, Fenton G, Fillmore A,...
Sutton JM, Clark DE, Dunsdon SJ, Fenton G, Fillmore A, Harris NV, Higgs C, Hurley CA, Krintel SL, MacKenzie RE, Duttaroy A, Gangl E, Maniara W, Sedrani R, Namoto K, Ostermann N, Gerhartz B, Sirockin F, Trappe J, Hassiepen U, Baeschlin DK.
Novel heterocyclic DPP-4 inhibitors for the treatment of type 2 diabetes. Sutton JM, Clark DE, Dunsdon SJ, Fenton G, Fillmore A, Harris NV, Higgs C, Hurley CA, Krintel SL, MacKenzie RE, Duttaroy A, Gangl E, Maniara W, Sedrani R, Namoto K, Ostermann N, Gerhartz B, Sirockin F, Trappe J, Hassiepen U, Baeschlin DK.: Novel heterocyclic DPP-4 inhibitors for the treatment of type 2 diabetes. Bioorg Med Chem Lett, Volume 22 (3), 2012 Bioorg Med Chem Lett 2012 22177783
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Suzuki M, Suzuki H, Sugimoto Y, Sugiyama Y.
Suzuki M, Suzuki H, Sugimoto Y, Sugiyama Y.
ABCG2 transports sulfated conjugates of steroids and xenobiotics. Suzuki M, Suzuki H, Sugimoto Y, Sugiyama Y.: ABCG2 transports sulfated conjugates of steroids and xenobiotics. J Biol Chem, Volume 278 (25), 2003 J Biol Chem 2003 12682043
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Suzuki S, Kuroda T, Kimoto H, Domon Y, Kubota K, Kitano Y,...
Suzuki S, Kuroda T, Kimoto H, Domon Y, Kubota K, Kitano Y, Yokoyama T, Shimizugawa A, Sugita R, Koishi R, Asano D, Tamaki K, Shinozuka T, Kobayashi H.
Discovery of (phenoxy-2-hydroxypropyl)piperidines as a novel class of voltage-gated sodium channel 1.7 inhibitors. Suzuki S, Kuroda T, Kimoto H, Domon Y, Kubota K, Kitano Y, Yokoyama T, Shimizugawa A, Sugita R, Koishi R, Asano D, Tamaki K, Shinozuka T, Kobayashi H.: Discovery of (phenoxy-2-hydroxypropyl)piperidines as a novel class of voltage-gated sodium channel 1.7 inhibitors. Bioorg Med Chem Lett, Volume 25 (22), 2015 Bioorg Med Chem Lett 2015 26358159
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Swahn BM, Holenz J, Kihlström J, Kolmodin K, Lindström J,...
Swahn BM, Holenz J, Kihlström J, Kolmodin K, Lindström J, Plobeck N, Rotticci D, Sehgelmeble F, Sundström M, Berg Sv, Fälting J, Georgievska B, Gustavsson S, Neelissen J, Ek M, Olsson LL, Berg S.
Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy. Swahn BM, Holenz J, Kihlström J, Kolmodin K, Lindström J, Plobeck N, Rotticci D, Sehgelmeble F, Sundström M, Berg Sv, Fälting J, Georgievska B, Gustavsson S, Neelissen J, Ek M, Olsson LL, Berg S.: Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy. Bioorg Med Chem Lett, Volume 22 (5), 2012 Bioorg Med Chem Lett 2012 22325942
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Swahn BM, Kolmodin K, Karlström S, von Berg S, Söderman...
Swahn BM, Kolmodin K, Karlström S, von Berg S, Söderman P, Holenz J, Berg S, Lindström J, Sundström M, Turek D, Kihlström J, Slivo C, Andersson L, Pyring D, Rotticci D, Ohberg L, Kers A, Bogar K, von Kieseritzky F, Bergh M, Olsson LL, Janson J, Eketjäll S, Georgievska B, Jeppsson F, Fälting J.
Design and synthesis of β-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain... Swahn BM, Kolmodin K, Karlström S, von Berg S, Söderman P, Holenz J, Berg S, Lindström J, Sundström M, Turek D, Kihlström J, Slivo C, Andersson L, Pyring D, Rotticci D, Ohberg L, Kers A, Bogar K, von Kieseritzky F, Bergh M, Olsson LL, Janson J, Eketjäll S, Georgievska B, Jeppsson F, Fälting J.: Design and synthesis of β-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of β-amyloid peptides. J Med Chem, Volume 55 (21), 2012 J Med Chem 2012 22924815
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Swahn BM, Macsari I, Viklund J, Ohberg L, Sjödin J,...
Swahn BM, Macsari I, Viklund J, Ohberg L, Sjödin J, Neelissen J, Lindquist J.
Liver X receptor agonists with selectivity for LXRbeta; N-aryl-3,3,3-trifluoro-2-hydroxy-2-methylpropionamides. Swahn BM, Macsari I, Viklund J, Ohberg L, Sjödin J, Neelissen J, Lindquist J.: Liver X receptor agonists with selectivity for LXRbeta; N-aryl-3,3,3-trifluoro-2-hydroxy-2-methylpropionamides. Bioorg Med Chem Lett, Volume 19 (7), 2009 Bioorg Med Chem Lett 2009 19264481
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Swahn BM, Xue Y, Arzel E, Kallin E, Magnus A, Plobeck N,...
Swahn BM, Xue Y, Arzel E, Kallin E, Magnus A, Plobeck N, Viklund J.
Design and synthesis of 2'-anilino-4,4'-bipyridines as selective inhibitors of c-Jun N-terminal kinase-3. Swahn BM, Xue Y, Arzel E, Kallin E, Magnus A, Plobeck N, Viklund J.: Design and synthesis of 2'-anilino-4,4'-bipyridines as selective inhibitors of c-Jun N-terminal kinase-3. Bioorg Med Chem Lett, Volume 16 (5), 2006 Bioorg Med Chem Lett 2006 16337120
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Swain NA, Batchelor D, Beaudoin S, Bechle BM, Bradley PA,...
Swain NA, Batchelor D, Beaudoin S, Bechle BM, Bradley PA, Brown AD, Brown B, Butcher KJ, Butt RP, Chapman ML, Denton S, Ellis D, Galan SRG, Gaulier SM, Greener BS, de Groot MJ, Glossop MS, Gurrell IK, Hannam J, Johnson MS, Lin Z, Markworth CJ, Marron BE, Millan DS, Nakagawa S, Pike A, Printzenhoff D, Rawson DJ, Ransley SJ, Reister SM, Sasaki K, Storer RI, Stupple PA, West CW.
Discovery of Clinical Candidate... Swain NA, Batchelor D, Beaudoin S, Bechle BM, Bradley PA, Brown AD, Brown B, Butcher KJ, Butt RP, Chapman ML, Denton S, Ellis D, Galan SRG, Gaulier SM, Greener BS, de Groot MJ, Glossop MS, Gurrell IK, Hannam J, Johnson MS, Lin Z, Markworth CJ, Marron BE, Millan DS, Nakagawa S, Pike A, Printzenhoff D, Rawson DJ, Ransley SJ, Reister SM, Sasaki K, Storer RI, Stupple PA, West CW.: Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7. J Med Chem, Volume 60 (16), 2017 J Med Chem 2017 28682065
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Swanson DM, Savall BM, Coe KJ, Schoetens F, Koudriakova T,...
Swanson DM, Savall BM, Coe KJ, Schoetens F, Koudriakova T, Skaptason J, Wall J, Rech J, Deng X, De Angelis M, Everson A, Lord B, Wang Q, Ao H, Scott B, Sepassi K, Lovenberg TW, Carruthers NI, Bhattacharya A, Letavic MA.
Identification of... Swanson DM, Savall BM, Coe KJ, Schoetens F, Koudriakova T, Skaptason J, Wall J, Rech J, Deng X, De Angelis M, Everson A, Lord B, Wang Q, Ao H, Scott B, Sepassi K, Lovenberg TW, Carruthers NI, Bhattacharya A, Letavic MA.: Identification of (R)-(2-Chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyridin-2-yl)-4-methyl-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)methanone (JNJ 54166060), a Small Molecule Antagonist of the P2X7 receptor. J Med Chem, Volume 59 (18), 2016 J Med Chem 2016 27548392
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Sweet DH, Miller DS, Pritchard JB.
Sweet DH, Miller DS, Pritchard JB.
Ventricular choline transport: a role for organic cation transporter 2 expressed in choroid plexus. Sweet DH, Miller DS, Pritchard JB.: Ventricular choline transport: a role for organic cation transporter 2 expressed in choroid plexus. J Biol Chem, Volume 276 (45), 2001 J Biol Chem 2001 11553644
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Sweetnam PM, Caldwell L, Lancaster J, Bauer C, McMillan B,...
Sweetnam PM, Caldwell L, Lancaster J, Bauer C, McMillan B, Kinnier WJ, Price CH.
The role of receptor binding in drug discovery. Sweetnam PM, Caldwell L, Lancaster J, Bauer C, McMillan B, Kinnier WJ, Price CH.: The role of receptor binding in drug discovery. J Nat Prod, Volume 56 (4), 1993 J Nat Prod 1993 8496700
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Swidorski JJ, Liu Z, Yin Z, Wang T, Carini DJ, Rahematpura...
Swidorski JJ, Liu Z, Yin Z, Wang T, Carini DJ, Rahematpura S, Zheng M, Johnson K, Zhang S, Lin PF, Parker DD, Li W, Meanwell NA, Hamann LG, Regueiro-Ren A.
Inhibitors of HIV-1 attachment: The discovery and structure-activity relationships of tetrahydroisoquinolines as... Swidorski JJ, Liu Z, Yin Z, Wang T, Carini DJ, Rahematpura S, Zheng M, Johnson K, Zhang S, Lin PF, Parker DD, Li W, Meanwell NA, Hamann LG, Regueiro-Ren A.: Inhibitors of HIV-1 attachment: The discovery and structure-activity relationships of tetrahydroisoquinolines as replacements for the piperazine benzamide in the 3-glyoxylyl 6-azaindole pharmacophore. Bioorg Med Chem Lett, Volume 26 (1), 2016 Bioorg Med Chem Lett 2016 26584882
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Swift RV, Amaro RE.
Swift RV, Amaro RE.
Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move... Swift RV, Amaro RE.: Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR? Chem Biol Drug Des, Volume 81 (1), 61-71, 2013 Chem Biol Drug Des 2013 23066853
Total substances: 11
Total passive interactions: 11
Total active interactions: 0
Syeda SS, Sánchez G, Hong KH, Hawkinson JE, Georg GI,...
Syeda SS, Sánchez G, Hong KH, Hawkinson JE, Georg GI, Blanco G.
Design, Synthesis, and in Vitro and in Vivo Evaluation of Ouabain Analogues as Potent and Selective Na,K-ATPase α4... Syeda SS, Sánchez G, Hong KH, Hawkinson JE, Georg GI, Blanco G.: Design, Synthesis, and in Vitro and in Vivo Evaluation of Ouabain Analogues as Potent and Selective Na,K-ATPase α4 Isoform Inhibitors for Male Contraception. J Med Chem, Volume 61 (5), 2018 J Med Chem 2018 29291372
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Szabadkai I, Torka R, Garamvölgyi R, Baska F, Gyulavári...
Szabadkai I, Torka R, Garamvölgyi R, Baska F, Gyulavári P, Boros S, Illyés E, Choidas A, Ullrich A, Őrfi L.
Discovery of N-[4-(Quinolin-4-yloxy)phenyl]benzenesulfonamides as Novel AXL Kinase Inhibitors. Szabadkai I, Torka R, Garamvölgyi R, Baska F, Gyulavári P, Boros S, Illyés E, Choidas A, Ullrich A, Őrfi L.: Discovery of N-[4-(Quinolin-4-yloxy)phenyl]benzenesulfonamides as Novel AXL Kinase Inhibitors. J Med Chem, Volume 61 (14), 2018 J Med Chem 2018 29928803
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Szántó G, Makó A, Baska F, Bozó É, Domány-Kovács K,...
Szántó G, Makó A, Baska F, Bozó É, Domány-Kovács K, Kurkó D, Cselenyák A, Mohácsi R, Kordás KS, Bata I.
New V1a receptor antagonist. Part 1. Synthesis and SAR development of urea derivatives. Szántó G, Makó A, Baska F, Bozó É, Domány-Kovács K, Kurkó D, Cselenyák A, Mohácsi R, Kordás KS, Bata I.: New V1a receptor antagonist. Part 1. Synthesis and SAR development of urea derivatives. Bioorg Med Chem Lett, Volume 30 (18), 2020 Bioorg Med Chem Lett 2020 32736211
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Szántó G, Makó A, Bata I, Farkas B, Kolok S, Vastag M,...
Szántó G, Makó A, Bata I, Farkas B, Kolok S, Vastag M, Cselenyák A.
New P2X3 receptor antagonists. Part 1: Discovery and optimization of tricyclic compounds. Szántó G, Makó A, Bata I, Farkas B, Kolok S, Vastag M, Cselenyák A.: New P2X3 receptor antagonists. Part 1: Discovery and optimization of tricyclic compounds. Bioorg Med Chem Lett, Volume 26 (16), 2016 Bioorg Med Chem Lett 2016 27423478
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Szeleczky Z, Szakács Z, Bozó É, Baska F, Vukics K,...
Szeleczky Z, Szakács Z, Bozó É, Baska F, Vukics K, Lévai S, Temesvári K, Vass E, Béni Z, Krámos B, Magdó I, Szántay C, Kóti J, Domány-Kovács K, Greiner I, Bata I.
Synthesis and Characterization of New V1A Antagonist Compounds: The Separation of Four Atropisomeric... Szeleczky Z, Szakács Z, Bozó É, Baska F, Vukics K, Lévai S, Temesvári K, Vass E, Béni Z, Krámos B, Magdó I, Szántay C, Kóti J, Domány-Kovács K, Greiner I, Bata I.: Synthesis and Characterization of New V1A Antagonist Compounds: The Separation of Four Atropisomeric Stereoisomers. J Med Chem, Volume 64 (14), 2021 J Med Chem 2021 34255509
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Szilágyi B, Kovács P, Ferenczy GG, Rácz A, Németh K,...
Szilágyi B, Kovács P, Ferenczy GG, Rácz A, Németh K, Visy J, Szabó P, Ilas J, Balogh GT, Monostory K, Vincze I, Tábi T, Szökő É, Keserű GM.
Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors. Szilágyi B, Kovács P, Ferenczy GG, Rácz A, Németh K, Visy J, Szabó P, Ilas J, Balogh GT, Monostory K, Vincze I, Tábi T, Szökő É, Keserű GM.: Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors. Bioorg Med Chem, Volume 26 (8), 2018 Bioorg Med Chem 2018 29472125
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Tabka H, Cheikh A, Maatoug S, Ayeb ME, Bendahhou S,...
Tabka H, Cheikh A, Maatoug S, Ayeb ME, Bendahhou S, Benkhalifa R.
First Evidence of Kv3.1b Potassium Channel Subtype Expression during Neuronal Serotonergic 1C11 Cell Line Development. Tabka H, Cheikh A, Maatoug S, Ayeb ME, Bendahhou S, Benkhalifa R.: First Evidence of Kv3.1b Potassium Channel Subtype Expression during Neuronal Serotonergic 1C11 Cell Line Development. Int J Mol Sci, Volume 21 (19), 2020 Int J Mol Sci 2020 33003279
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Taechalertpaisarn J, Ono S, Okada O, Johnstone TC, Lokey RS.
Taechalertpaisarn J, Ono S, Okada O, Johnstone TC, Lokey RS.
A New Amino Acid for Improving Permeability and Solubility in Macrocyclic Peptides through Side Chain-to-Backbone... Taechalertpaisarn J, Ono S, Okada O, Johnstone TC, Lokey RS.: A New Amino Acid for Improving Permeability and Solubility in Macrocyclic Peptides through Side Chain-to-Backbone Hydrogen Bonding. J Med Chem, Volume 65 (6), 2022 J Med Chem 2022 35275623
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Tahara A, Kurosaki E, Yokono M, Yamajuku D, Kihara R,...
Tahara A, Kurosaki E, Yokono M, Yamajuku D, Kihara R, Hayashizaki Y, Takasu T, Imamura M, Qun L, Tomiyama H, Kobayashi Y, Noda A, Sasamata M, Shibasaki M.
Pharmacological profile of ipragliflozin (ASP1941), a novel selective SGLT2 inhibitor, in vitro and in vivo. Tahara A, Kurosaki E, Yokono M, Yamajuku D, Kihara R, Hayashizaki Y, Takasu T, Imamura M, Qun L, Tomiyama H, Kobayashi Y, Noda A, Sasamata M, Shibasaki M.: Pharmacological profile of ipragliflozin (ASP1941), a novel selective SGLT2 inhibitor, in vitro and in vivo. Naunyn Schmiedebergs Arch Pharmacol, Volume 385 (4), 2012 Naunyn Schmiedebergs Arch Pharmacol 2012 22139434
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tahara H, Kusuhara H, Chida M, Fuse E, Sugiyama Y.
Tahara H, Kusuhara H, Chida M, Fuse E, Sugiyama Y.
Is the monkey an appropriate animal model to examine drug-drug interactions involving renal clearance? Effect of... Tahara H, Kusuhara H, Chida M, Fuse E, Sugiyama Y.: Is the monkey an appropriate animal model to examine drug-drug interactions involving renal clearance? Effect of probenecid on the renal elimination of H2 receptor antagonists. J Pharmacol Exp Ther, Volume 316 (3), 2006 J Pharmacol Exp Ther 2006 16291876
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Tahirovic YA, Truax VM, Wilson RJ, Jecs E, Nguyen HH,...
Tahirovic YA, Truax VM, Wilson RJ, Jecs E, Nguyen HH, Miller EJ, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.
Discovery of N-Alkyl Piperazine Side Chain Based CXCR4 Antagonists with Improved Drug-like Properties. Tahirovic YA, Truax VM, Wilson RJ, Jecs E, Nguyen HH, Miller EJ, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of N-Alkyl Piperazine Side Chain Based CXCR4 Antagonists with Improved Drug-like Properties. ACS Med Chem Lett, Volume 9 (5), 2018 ACS Med Chem Lett 2018 29795757
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Tai VW, Garrido D, Price DJ, Maynard A, Pouliot JJ, Xiong...
Tai VW, Garrido D, Price DJ, Maynard A, Pouliot JJ, Xiong Z, Seal JW, Creech KL, Kryn LH, Baughman TM, Peat AJ.
Design and synthesis of spirocyclic compounds as HCV replication inhibitors by targeting viral NS4B protein. Tai VW, Garrido D, Price DJ, Maynard A, Pouliot JJ, Xiong Z, Seal JW, Creech KL, Kryn LH, Baughman TM, Peat AJ.: Design and synthesis of spirocyclic compounds as HCV replication inhibitors by targeting viral NS4B protein. Bioorg Med Chem Lett, Volume 24 (10), 2014 Bioorg Med Chem Lett 2014 24731273
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Tajarobi, F., El-Sayed, M., Rege, B.D., Polli, J.E.,...
Tajarobi, F., El-Sayed, M., Rege, B.D., Polli, J.E., Ghandehari, H.
Transport of poly amidoamine dendrimers across Madin–Darby canine kidney cells Tajarobi, F., El-Sayed, M., Rege, B.D., Polli, J.E., Ghandehari, H. Transport of poly amidoamine dendrimers across Madin–Darby canine kidney cells. Int. J. Pharm. 2001 215(1-2) 263-267 Int J Pharm 2001 10.1016/S0378-5...
Total substances: 5
Total passive interactions: 5
Total active interactions: 0
Taka N, Matsuoka H, Sato T, Yoshino H, Imaoka I, Sato H,...
Taka N, Matsuoka H, Sato T, Yoshino H, Imaoka I, Sato H, Kotake K, Kumagai Y, Kamei K, Ozaki K, Higashida A, Kuroki T.
Discovery of novel motilin antagonists: Conversion of tetrapeptide leads to orally available peptidomimetics. Taka N, Matsuoka H, Sato T, Yoshino H, Imaoka I, Sato H, Kotake K, Kumagai Y, Kamei K, Ozaki K, Higashida A, Kuroki T.: Discovery of novel motilin antagonists: Conversion of tetrapeptide leads to orally available peptidomimetics. Bioorg Med Chem Lett, Volume 19 (13), 2009 Bioorg Med Chem Lett 2009 19481451
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Takada H, Kaieda A, Tawada M, Nagino T, Sasa K, Oikawa T,...
Takada H, Kaieda A, Tawada M, Nagino T, Sasa K, Oikawa T, Oki A, Sameshima T, Miyamoto K, Miyamoto M, Kokubu Y, Tozawa R, Sakurai H, Saito B.
Identification of 2,6-Disubstituted 3H-Imidazo[4,5-b]pyridines as Therapeutic Agents for Dysferlinopathies through... Takada H, Kaieda A, Tawada M, Nagino T, Sasa K, Oikawa T, Oki A, Sameshima T, Miyamoto K, Miyamoto M, Kokubu Y, Tozawa R, Sakurai H, Saito B.: Identification of 2,6-Disubstituted 3H-Imidazo[4,5-b]pyridines as Therapeutic Agents for Dysferlinopathies through Phenotypic Screening on Patient-Derived Induced Pluripotent Stem Cells. J Med Chem, Volume 62 (20), 2019 J Med Chem 2019 31550153
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Takahashi B, Funami H, Iwaki T, Maruoka H, Nagahira A,...
Takahashi B, Funami H, Iwaki T, Maruoka H, Nagahira A, Koyama M, Kamiide Y, Matsuo T, Muto T, Annoura H.
2-Aminoalkyl nicotinamide derivatives as pure inverse agonists of the ghrelin receptor. Takahashi B, Funami H, Iwaki T, Maruoka H, Nagahira A, Koyama M, Kamiide Y, Matsuo T, Muto T, Annoura H.: 2-Aminoalkyl nicotinamide derivatives as pure inverse agonists of the ghrelin receptor. Bioorg Med Chem Lett, Volume 25 (13), 2015 Bioorg Med Chem Lett 2015 25981690
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Takahashi H, Riether D, Bartolozzi A, Bosanac T, Berger V,...
Takahashi H, Riether D, Bartolozzi A, Bosanac T, Berger V, Binetti R, Broadwater J, Chen Z, Crux R, De Lombaert S, Dave R, Dines JA, Fadra-Khan T, Flegg A, Garrigou M, Hao MH, Huber J, Hutzler JM, Kerr S, Kotey A, Liu W, Lo HY, Loke PL, Mahaney PE, Morwick TM, Napier S, Olague A, Pack E, Padyana AK, Thomson DS, Tye H, Wu L, Zindell RM, Abeywardane A, Simpson T.
Synthesis, SAR, and series evolution of novel oxadiazole-containing 5-lipoxygenase activating protein inhibitors:... Takahashi H, Riether D, Bartolozzi A, Bosanac T, Berger V, Binetti R, Broadwater J, Chen Z, Crux R, De Lombaert S, Dave R, Dines JA, Fadra-Khan T, Flegg A, Garrigou M, Hao MH, Huber J, Hutzler JM, Kerr S, Kotey A, Liu W, Lo HY, Loke PL, Mahaney PE, Morwick TM, Napier S, Olague A, Pack E, Padyana AK, Thomson DS, Tye H, Wu L, Zindell RM, Abeywardane A, Simpson T.: Synthesis, SAR, and series evolution of novel oxadiazole-containing 5-lipoxygenase activating protein inhibitors: discovery of 2-[4-(3-{(r)-1-[4-(2-amino-pyrimidin-5-yl)-phenyl]-1-cyclopropyl-ethyl}-[1,2,4]oxadiazol-5-yl)-pyrazol-1-yl]-N,N-dimethyl-acetamide (BI 665915). J Med Chem, Volume 58 (4), 2015 J Med Chem 2015 25671290
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Takanohashi T, Kubo S, Arisaka H, Shinkai K, Ubukata K.
Takanohashi T, Kubo S, Arisaka H, Shinkai K, Ubukata K.
Contribution of organic anion transporting polypeptide (OATP) 1B1 and OATP1B3 to hepatic uptake of nateglinide, and the... Takanohashi T, Kubo S, Arisaka H, Shinkai K, Ubukata K.: Contribution of organic anion transporting polypeptide (OATP) 1B1 and OATP1B3 to hepatic uptake of nateglinide, and the prediction of drug-drug interactions via these transporters. J Pharm Pharmacol, Volume 64 (2), 2012 J Pharm Pharmacol 2012 22221095
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Takeda M, Babu E, Narikawa S, Endou H.
Takeda M, Babu E, Narikawa S, Endou H.
Interaction of human organic anion transporters with various cephalosporin antibiotics. Takeda M, Babu E, Narikawa S, Endou H.: Interaction of human organic anion transporters with various cephalosporin antibiotics. Eur J Pharmacol, Volume 438 (3), 2002 Eur J Pharmacol 2002 11909604
Total substances: 2
Total passive interactions: 0
Total active interactions: 4
Takeda M, Khamdang S, Narikawa S, Kimura H, Hosoyamada M,...
Takeda M, Khamdang S, Narikawa S, Kimura H, Hosoyamada M, Cha SH, Sekine T, Endou H.
Characterization of methotrexate transport and its drug interactions with human organic anion transporters. Takeda M, Khamdang S, Narikawa S, Kimura H, Hosoyamada M, Cha SH, Sekine T, Endou H.: Characterization of methotrexate transport and its drug interactions with human organic anion transporters. J Pharmacol Exp Ther, Volume 302 (2), 2002 J Pharmacol Exp Ther 2002 12130730
Total substances: 8
Total passive interactions: 0
Total active interactions: 9
Takeda M, Khamdang S, Narikawa S, Kimura H, Kobayashi Y,...
Takeda M, Khamdang S, Narikawa S, Kimura H, Kobayashi Y, Yamamoto T, Cha SH, Sekine T, Endou H.
Human organic anion transporters and human organic cation transporters mediate renal antiviral transport. Takeda M, Khamdang S, Narikawa S, Kimura H, Kobayashi Y, Yamamoto T, Cha SH, Sekine T, Endou H.: Human organic anion transporters and human organic cation transporters mediate renal antiviral transport. J Pharmacol Exp Ther, Volume 300 (3), 2002 J Pharmacol Exp Ther 2002 11861798
Total substances: 3
Total passive interactions: 0
Total active interactions: 9
Takeda M, Narikawa S, Hosoyamada M, Cha SH, Sekine T, Endou...
Takeda M, Narikawa S, Hosoyamada M, Cha SH, Sekine T, Endou H.
Characterization of organic anion transport inhibitors using cells stably expressing human organic anion transporters. Takeda M, Narikawa S, Hosoyamada M, Cha SH, Sekine T, Endou H.: Characterization of organic anion transport inhibitors using cells stably expressing human organic anion transporters. Eur J Pharmacol, Volume 419 (2-3), 2001 Eur J Pharmacol 2001 11426832
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Takeuchi CS, Kim BG, Blazey CM, Ma S, Johnson HW, Anand NK,...
Takeuchi CS, Kim BG, Blazey CM, Ma S, Johnson HW, Anand NK, Arcalas A, Baik TG, Buhr CA, Cannoy J, Epshteyn S, Joshi A, Lara K, Lee MS, Wang L, Leahy JW, Nuss JM, Aay N, Aoyama R, Foster P, Lee J, Lehoux I, Munagala N, Plonowski A, Rajan S, Woolfrey J, Yamaguchi K, Lamb P, Miller N.
Discovery of a novel class of highly potent, selective, ATP-competitive, and orally bioavailable inhibitors of the... Takeuchi CS, Kim BG, Blazey CM, Ma S, Johnson HW, Anand NK, Arcalas A, Baik TG, Buhr CA, Cannoy J, Epshteyn S, Joshi A, Lara K, Lee MS, Wang L, Leahy JW, Nuss JM, Aay N, Aoyama R, Foster P, Lee J, Lehoux I, Munagala N, Plonowski A, Rajan S, Woolfrey J, Yamaguchi K, Lamb P, Miller N.: Discovery of a novel class of highly potent, selective, ATP-competitive, and orally bioavailable inhibitors of the mammalian target of rapamycin (mTOR). J Med Chem, Volume 56 (6), 2013 J Med Chem 2013 23394126
Total substances: 0
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Takeuchi K, Sugiura T, Umeda S, Matsubara K, Horikawa M,...
Takeuchi K, Sugiura T, Umeda S, Matsubara K, Horikawa M, Nakamichi N, Silver DL, Ishiwata N, Kato Y.
Pharmacokinetics and hepatic uptake of eltrombopag, a novel platelet-increasing agent. Takeuchi K, Sugiura T, Umeda S, Matsubara K, Horikawa M, Nakamichi N, Silver DL, Ishiwata N, Kato Y.: Pharmacokinetics and hepatic uptake of eltrombopag, a novel platelet-increasing agent. Drug Metab Dispos, Volume 39 (6), 2011 Drug Metab Dispos 2011 21422191
Total substances: 1
Total passive interactions: 0
Total active interactions: 4
Talapatra SK, Rath O, Clayton E, Tomasi S, Kozielski F.
Talapatra SK, Rath O, Clayton E, Tomasi S, Kozielski F.
Depsidones from Lichens as Natural Product Inhibitors of M-Phase Phosphoprotein 1, a Human Kinesin Required for... Talapatra SK, Rath O, Clayton E, Tomasi S, Kozielski F.: Depsidones from Lichens as Natural Product Inhibitors of M-Phase Phosphoprotein 1, a Human Kinesin Required for Cytokinesis. J Nat Prod, Volume 79 (6), 2016 J Nat Prod 2016 27300079
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Tallant MD, Duan M, Freeman GA, Ferris RG, Edelstein MP,...
Tallant MD, Duan M, Freeman GA, Ferris RG, Edelstein MP, Kazmierski WM, Wheelan PJ.
Synthesis and evaluation of 2-phenyl-1,4-butanediamine-based CCR5 antagonists for the treatment of HIV-1. Tallant MD, Duan M, Freeman GA, Ferris RG, Edelstein MP, Kazmierski WM, Wheelan PJ.: Synthesis and evaluation of 2-phenyl-1,4-butanediamine-based CCR5 antagonists for the treatment of HIV-1. Bioorg Med Chem Lett, Volume 21 (5), 2011 Bioorg Med Chem Lett 2011 21292480
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Taltavull J, Serrat J, Gràcia J, Gavaldà A, Andrés M,...
Taltavull J, Serrat J, Gràcia J, Gavaldà A, Andrés M, Córdoba M, Miralpeix M, Vilella D, Beleta J, Ryder H, Pagès L.
Synthesis and biological activity of pyrido[3',2':4,5]thieno[3,2-d]pyrimidines as phosphodiesterase type 4 inhibitors. Taltavull J, Serrat J, Gràcia J, Gavaldà A, Andrés M, Córdoba M, Miralpeix M, Vilella D, Beleta J, Ryder H, Pagès L.: Synthesis and biological activity of pyrido[3',2':4,5]thieno[3,2-d]pyrimidines as phosphodiesterase type 4 inhibitors. J Med Chem, Volume 53 (19), 2010 J Med Chem 2010 20825218
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Taltavull J, Serrat J, Gràcia J, Gavaldà A, Córdoba M,...
Taltavull J, Serrat J, Gràcia J, Gavaldà A, Córdoba M, Calama E, Montero JL, Andrés M, Miralpeix M, Vilella D, Hernández B, Beleta J, Ryder H, Pagès L.
Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent... Taltavull J, Serrat J, Gràcia J, Gavaldà A, Córdoba M, Calama E, Montero JL, Andrés M, Miralpeix M, Vilella D, Hernández B, Beleta J, Ryder H, Pagès L.: Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors. Eur J Med Chem, Volume 46 (10), 2011 Eur J Med Chem 2011 21871695
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Tam KY, Avdeef A, Tsinman O, Sun N.
Tam KY, Avdeef A, Tsinman O, Sun N.
The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and... Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010 J Med Chem 2010 19947605
Total substances: 33
Total passive interactions: 33
Total active interactions: 0
Tamai I, China K, Sai Y, Kobayashi D, Nezu J, Kawahara E,...
Tamai I, China K, Sai Y, Kobayashi D, Nezu J, Kawahara E, Tsuji A.
Na(+)-coupled transport of L-carnitine via high-affinity carnitine transporter OCTN2 and its subcellular localization... Tamai I, China K, Sai Y, Kobayashi D, Nezu J, Kawahara E, Tsuji A.: Na(+)-coupled transport of L-carnitine via high-affinity carnitine transporter OCTN2 and its subcellular localization in kidney. Biochim Biophys Acta, Volume 1512 (2), 2001 Biochim Biophys Acta 2001 11406104
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tamai I, Nozawa T, Koshida M, Nezu J, Sai Y, Tsuji A.
Tamai I, Nozawa T, Koshida M, Nezu J, Sai Y, Tsuji A.
Functional characterization of human organic anion transporting polypeptide B (OATP-B) in comparison with... Tamai I, Nozawa T, Koshida M, Nezu J, Sai Y, Tsuji A.: Functional characterization of human organic anion transporting polypeptide B (OATP-B) in comparison with liver-specific OATP-C. Pharm Res, Volume 18 (9), 2001 Pharm Res 2001 11683238
Total substances: 2
Total passive interactions: 0
Total active interactions: 4
Tamiya J, Dyck B, Zhang M, Phan K, Fleck BA, Aparicio A,...
Tamiya J, Dyck B, Zhang M, Phan K, Fleck BA, Aparicio A, Jovic F, Tran JA, Vickers T, Grey J, Foster AC, Chen C.
Identification of 1S,2R-milnacipran analogs as potent norepinephrine and serotonin transporter inhibitors. Tamiya J, Dyck B, Zhang M, Phan K, Fleck BA, Aparicio A, Jovic F, Tran JA, Vickers T, Grey J, Foster AC, Chen C.: Identification of 1S,2R-milnacipran analogs as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008 Bioorg Med Chem Lett 2008 18445525
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Tamiz AP, Smith MP, Kozikowski AP.
Tamiz AP, Smith MP, Kozikowski AP.
Design, synthesis and biological evaluation of 7-azatricyclodecanes: analogues of cocaine. Tamiz AP, Smith MP, Kozikowski AP.: Design, synthesis and biological evaluation of 7-azatricyclodecanes: analogues of cocaine. Bioorg Med Chem Lett, Volume 10 (3), 2000 Bioorg Med Chem Lett 2000 10698458
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tan HJ, Deng M, Qiu JW, Wu JF, Song YZ.
Tan HJ, Deng M, Qiu JW, Wu JF, Song YZ.
Monozygotic Twins Suffering From Sodium Taurocholate Cotransporting Polypeptide Deficiency: A Case Report. Tan HJ, Deng M, Qiu JW, Wu JF, Song YZ.: Monozygotic Twins Suffering From Sodium Taurocholate Cotransporting Polypeptide Deficiency: A Case Report. Front Pediatr, Volume 6, 2018 Front Pediatr 2018 30525015
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.
Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.
Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant... Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015 Bioorg Med Chem Lett 2015 26364945
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Tang F, Horie K, Borchardt RT.
Tang F, Horie K, Borchardt RT.
Are MDCK cells transfected with the human MRP2 gene a good model of the human intestinal mucosa? Tang F, Horie K, Borchardt RT.: Are MDCK cells transfected with the human MRP2 gene a good model of the human intestinal mucosa? Pharm Res, Volume 19 (6), 2002 Pharm Res 2002 12134946
Total substances: 7
Total passive interactions: 0
Total active interactions: 7
Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.
Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.
Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced... Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012 Bioorg Med Chem Lett 2012 22341944
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Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen...
Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.
Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid... Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011 Eur J Med Chem 2011 21871694
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Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY,...
Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.
Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019 Eur J Med Chem 2019 30529634
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Taniguchi T, Inagaki H, Baba D, Yasumatsu I, Toyota A,...
Taniguchi T, Inagaki H, Baba D, Yasumatsu I, Toyota A, Kaneta Y, Kiga M, Iimura S, Odagiri T, Shibata Y, Ueda K, Seo M, Shimizu H, Imaoka T, Nakayama K.
Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity. Taniguchi T, Inagaki H, Baba D, Yasumatsu I, Toyota A, Kaneta Y, Kiga M, Iimura S, Odagiri T, Shibata Y, Ueda K, Seo M, Shimizu H, Imaoka T, Nakayama K.: Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity. ACS Med Chem Lett, Volume 10 (5), 2019 ACS Med Chem Lett 2019 31097992
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Tanis SP, Colca JR, Parker TT, Artman GD, Larsen SD,...
Tanis SP, Colca JR, Parker TT, Artman GD, Larsen SD, McDonald WG, Gadwood RC, Kletzien RF, Zeller JB, Lee PH, Adams WJ.
PPARγ-sparing thiazolidinediones as insulin sensitizers. Design, synthesis and selection of compounds for clinical... Tanis SP, Colca JR, Parker TT, Artman GD, Larsen SD, McDonald WG, Gadwood RC, Kletzien RF, Zeller JB, Lee PH, Adams WJ.: PPARγ-sparing thiazolidinediones as insulin sensitizers. Design, synthesis and selection of compounds for clinical development. Bioorg Med Chem, Volume 26 (22), 2018 Bioorg Med Chem 2018 30429097
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tao M, Aimone LD, Gruner JA, Mathiasen JR, Huang Z, Lyons...
Tao M, Aimone LD, Gruner JA, Mathiasen JR, Huang Z, Lyons J, Raddatz R, Hudkins RL.
Synthesis and structure-activity relationship of 5-pyridazin-3-one phenoxypiperidines as potent, selective histamine... Tao M, Aimone LD, Gruner JA, Mathiasen JR, Huang Z, Lyons J, Raddatz R, Hudkins RL.: Synthesis and structure-activity relationship of 5-pyridazin-3-one phenoxypiperidines as potent, selective histamine H(3) receptor inverse agonists. Bioorg Med Chem Lett, Volume 22 (2), 2012 Bioorg Med Chem Lett 2012 22197136
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Tao M, Aimone LD, Huang Z, Mathiasen J, Raddatz R, Lyons J,...
Tao M, Aimone LD, Huang Z, Mathiasen J, Raddatz R, Lyons J, Hudkins RL.
Optimization of 5-pyridazin-3-one phenoxypropylamines as potent, selective histamine H₃ receptor antagonists with... Tao M, Aimone LD, Huang Z, Mathiasen J, Raddatz R, Lyons J, Hudkins RL.: Optimization of 5-pyridazin-3-one phenoxypropylamines as potent, selective histamine H₃ receptor antagonists with potent cognition enhancing activity. J Med Chem, Volume 55 (1), 2012 J Med Chem 2012 22107017
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Tarragó T, Kichik N, Claasen B, Prades R, Teixidó M,...
Tarragó T, Kichik N, Claasen B, Prades R, Teixidó M, Giralt E.
Baicalin, a prodrug able to reach the CNS, is a prolyl oligopeptidase inhibitor. Tarragó T, Kichik N, Claasen B, Prades R, Teixidó M, Giralt E.: Baicalin, a prodrug able to reach the CNS, is a prolyl oligopeptidase inhibitor. Bioorg Med Chem, Volume 16 (15), 2008 Bioorg Med Chem 2008 18650094
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Tasler S, Baumgartner R, Ammendola A, Schachtner J, Wieber...
Tasler S, Baumgartner R, Ammendola A, Schachtner J, Wieber T, Blisse M, Rath S, Zaja M, Klahn P, Quotschalla U, Ney P.
Thienopyrimidines as β3-adrenoceptor agonists: hit-to-lead optimization. Tasler S, Baumgartner R, Ammendola A, Schachtner J, Wieber T, Blisse M, Rath S, Zaja M, Klahn P, Quotschalla U, Ney P.: Thienopyrimidines as β3-adrenoceptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 20 (20), 2010 Bioorg Med Chem Lett 2010 20833036
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Tassini S, Langron E, Delang L, Mirabelli C, Lanko K,...
Tassini S, Langron E, Delang L, Mirabelli C, Lanko K, Crespan E, Kissova M, Tagliavini G, Fontò G, Bertoni S, Palese S, Giorgio C, Ravanetti F, Ragionieri L, Zamperini C, Mancini A, Dreassi E, Maga G, Vergani P, Neyts J, Radi M.
Multitarget CFTR Modulators Endowed with Multiple Beneficial Side Effects for Cystic Fibrosis Patients: Toward a... Tassini S, Langron E, Delang L, Mirabelli C, Lanko K, Crespan E, Kissova M, Tagliavini G, Fontò G, Bertoni S, Palese S, Giorgio C, Ravanetti F, Ragionieri L, Zamperini C, Mancini A, Dreassi E, Maga G, Vergani P, Neyts J, Radi M.: Multitarget CFTR Modulators Endowed with Multiple Beneficial Side Effects for Cystic Fibrosis Patients: Toward a Simplified Therapeutic Approach †. J Med Chem, Volume 62 (23), 2019 J Med Chem 2019 31729878
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Tatani K, Hiratochi M, Nonaka Y, Isaji M, Shuto S.
Tatani K, Hiratochi M, Nonaka Y, Isaji M, Shuto S.
Identification of 8-aminoadenosine derivatives as a new class of human concentrative nucleoside transporter 2... Tatani K, Hiratochi M, Nonaka Y, Isaji M, Shuto S.: Identification of 8-aminoadenosine derivatives as a new class of human concentrative nucleoside transporter 2 inhibitors. ACS Med Chem Lett, Volume 6 (3), 2015 ACS Med Chem Lett 2015 25815140
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Tatsumi M, Groshan K, Blakely RD, Richelson E.
Tatsumi M, Groshan K, Blakely RD, Richelson E.
Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Tatsumi M, Groshan K, Blakely RD, Richelson E.: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol, Volume 340 (2-3), 1997 Eur J Pharmacol 1997 9537821
Total substances: 9
Total passive interactions: 0
Total active interactions: 10
Taub ME, Mease K, Sane RS, Watson CA, Chen L, Ellens H,...
Taub ME, Mease K, Sane RS, Watson CA, Chen L, Ellens H, Hirakawa B, Reyner EL, Jani M, Lee CA.
Digoxin is not a substrate for organic anion-transporting polypeptide transporters OATP1A2, OATP1B1, OATP1B3, and... Taub ME, Mease K, Sane RS, Watson CA, Chen L, Ellens H, Hirakawa B, Reyner EL, Jani M, Lee CA.: Digoxin is not a substrate for organic anion-transporting polypeptide transporters OATP1A2, OATP1B1, OATP1B3, and OATP2B1 but is a substrate for a sodium-dependent transporter expressed in HEK293 cells. Drug Metab Dispos, Volume 39 (11), 2011 Drug Metab Dispos 2011 21849517
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tehler U, Fagerberg JH, Svensson R, Larhed M, Artursson P,...
Tehler U, Fagerberg JH, Svensson R, Larhed M, Artursson P, Bergström CA.
Optimizing solubility and permeability of a biopharmaceutics classification system (BCS) class 4 antibiotic drug using... Tehler U, Fagerberg JH, Svensson R, Larhed M, Artursson P, Bergström CA.: Optimizing solubility and permeability of a biopharmaceutics classification system (BCS) class 4 antibiotic drug using lipophilic fragments disturbing the crystal lattice. J Med Chem, Volume 56 (6), 2013 J Med Chem 2013 23432334
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Teksin ZS, Seo PR, Polli JE.
Teksin ZS, Seo PR, Polli JE.
Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2... Teksin ZS, Seo PR, Polli JE.: Comparison of drug permeabilities and BCS classification: three lipid-component PAMPA system method versus Caco-2 monolayers. AAPS J, Volume 12 (2), 238-241, 2010 AAPS J 2010 20224985
Total substances: 20
Total passive interactions: 40
Total active interactions: 0
Tellew JE, Baska RA, Beyer SM, Carlson KE, Cornelius LA,...
Tellew JE, Baska RA, Beyer SM, Carlson KE, Cornelius LA, Fadnis L, Gu Z, Kunst BL, Kowala MC, Monshizadegan H, Murugesan N, Ryan CS, Valentine MT, Yang Y, Macor JE.
Discovery of 4'-[(imidazol-1-yl)methyl]biphenyl-2-sulfonamides as dual endothelin/angiotensin II receptor antagonists. Tellew JE, Baska RA, Beyer SM, Carlson KE, Cornelius LA, Fadnis L, Gu Z, Kunst BL, Kowala MC, Monshizadegan H, Murugesan N, Ryan CS, Valentine MT, Yang Y, Macor JE.: Discovery of 4'-[(imidazol-1-yl)methyl]biphenyl-2-sulfonamides as dual endothelin/angiotensin II receptor antagonists. Bioorg Med Chem Lett, Volume 13 (6), 2003 Bioorg Med Chem Lett 2003 12643919
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Templeton JF, Ling Y, Zeglam TH, LaBella FS.
Templeton JF, Ling Y, Zeglam TH, LaBella FS.
Synthesis of 20-hydroxy-, 20-amino-, and 20-nitro-14-hydroxy-21-nor-5 beta,14 beta-pregnane C-3 glycosides and related... Templeton JF, Ling Y, Zeglam TH, LaBella FS.: Synthesis of 20-hydroxy-, 20-amino-, and 20-nitro-14-hydroxy-21-nor-5 beta,14 beta-pregnane C-3 glycosides and related derivatives: structure-activity relationships of pregnanes that bind to the digitalis receptor. J Med Chem, Volume 36 (1), 1993 J Med Chem 1993 8421289
Total substances: 2
Total passive interactions: 0
Total active interactions: 4
Templeton JF, Setiloane P, Kumar VP, Yan YL, Zeglam TH,...
Templeton JF, Setiloane P, Kumar VP, Yan YL, Zeglam TH, LaBella FS.
Pregnanes that bind to the digitalis receptor: synthesis of 14-hydroxy-5 beta,14 beta-pregnane glycosides from... Templeton JF, Setiloane P, Kumar VP, Yan YL, Zeglam TH, LaBella FS.: Pregnanes that bind to the digitalis receptor: synthesis of 14-hydroxy-5 beta,14 beta-pregnane glycosides from digitoxin and digitoxigenin. J Med Chem, Volume 34 (9), 1991 J Med Chem 1991 1895297
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Teng M, Wu W, Li Z, Yang G, Qin J, Wang Y, Hu Z, Dong H,...
Teng M, Wu W, Li Z, Yang G, Qin J, Wang Y, Hu Z, Dong H, Hou L, Hu G, Shen L, Zhang Y, Li J, Chen S, Tian J, Ye L, Zhang J, Wang H.
Discovery of aminocyclohexene analogues as selective and orally bioavailable hNav1.7 inhibitors for analgesia. Teng M, Wu W, Li Z, Yang G, Qin J, Wang Y, Hu Z, Dong H, Hou L, Hu G, Shen L, Zhang Y, Li J, Chen S, Tian J, Ye L, Zhang J, Wang H.: Discovery of aminocyclohexene analogues as selective and orally bioavailable hNav1.7 inhibitors for analgesia. Bioorg Med Chem Lett, Volume 27 (22), 2017 Bioorg Med Chem Lett 2017 29037948
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Tenti G, Parada E, León R, Egea J, Martínez-Revelles S,...
Tenti G, Parada E, León R, Egea J, Martínez-Revelles S, Briones AM, Sridharan V, López MG, Ramos MT, Menéndez JC.
New 5-unsubstituted dihydropyridines with improved CaV1.3 selectivity as potential neuroprotective agents against... Tenti G, Parada E, León R, Egea J, Martínez-Revelles S, Briones AM, Sridharan V, López MG, Ramos MT, Menéndez JC.: New 5-unsubstituted dihydropyridines with improved CaV1.3 selectivity as potential neuroprotective agents against ischemic injury. J Med Chem, Volume 57 (10), 2014 J Med Chem 2014 24754640
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Teodori E, Baldi E, Dei S, Gualtieri F, Romanelli MN,...
Teodori E, Baldi E, Dei S, Gualtieri F, Romanelli MN, Scapecchi S, Bellucci C, Ghelardini C, Matucci R.
Design, synthesis, and preliminary pharmacological evaluation of 4-aminopiperidine derivatives as N-type calcium... Teodori E, Baldi E, Dei S, Gualtieri F, Romanelli MN, Scapecchi S, Bellucci C, Ghelardini C, Matucci R.: Design, synthesis, and preliminary pharmacological evaluation of 4-aminopiperidine derivatives as N-type calcium channel blockers active on pain and neuropathic pain. J Med Chem, Volume 47 (24), 2004 J Med Chem 2004 15537361
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Terada T, Masuda S, Asaka J, Tsuda M, Katsura T, Inui K.
Terada T, Masuda S, Asaka J, Tsuda M, Katsura T, Inui K.
Molecular cloning, functional characterization and tissue distribution of rat H+/organic cation antiporter MATE1. Terada T, Masuda S, Asaka J, Tsuda M, Katsura T, Inui K.: Molecular cloning, functional characterization and tissue distribution of rat H+/organic cation antiporter MATE1. Pharm Res, Volume 23 (8), 2006 Pharm Res 2006 16850272
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Terakado M, Suzuki H, Hashimura K, Tanaka M, Ueda H, Kohno...
Terakado M, Suzuki H, Hashimura K, Tanaka M, Ueda H, Kohno H, Fujimoto T, Saga H, Nakade S, Habashita H, Takaoka Y, Seko T.
Discovery of ONO-7300243 from a Novel Class of Lysophosphatidic Acid Receptor 1 Antagonists: From Hit to Lead. Terakado M, Suzuki H, Hashimura K, Tanaka M, Ueda H, Kohno H, Fujimoto T, Saga H, Nakade S, Habashita H, Takaoka Y, Seko T.: Discovery of ONO-7300243 from a Novel Class of Lysophosphatidic Acid Receptor 1 Antagonists: From Hit to Lead. ACS Med Chem Lett, Volume 7 (10), 2016 ACS Med Chem Lett 2016 27774128
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Terauchi H, Tanitame A, Tada K, Nakamura K, Seto Y,...
Terauchi H, Tanitame A, Tada K, Nakamura K, Seto Y, Nishikawa Y.
Nicotinamide derivatives as a new class of gastric H+/K(+)-ATPase inhibitors. 1. Synthesis and structure-activity... Terauchi H, Tanitame A, Tada K, Nakamura K, Seto Y, Nishikawa Y.: Nicotinamide derivatives as a new class of gastric H+/K(+)-ATPase inhibitors. 1. Synthesis and structure-activity relationships of N-substituted 2-(benzhydryl- and benzylsulfinyl)nicotinamides. J Med Chem, Volume 40 (3), 1997 J Med Chem 1997 9022797
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Terrett JA, Chen H, Shore DG, Villemure E,...
Terrett JA, Chen H, Shore DG, Villemure E, Larouche-Gauthier R, Déry M, Beaumier F, Constantineau-Forget L, Grand-Maître C, Lépissier L, Ciblat S, Sturino C, Chen Y, Hu B, Lu A, Wang Y, Cridland AP, Ward SI, Hackos DH, Reese RM, Shields SD, Chen J, Balestrini A, Riol-Blanco L, Lee WP, Liu J, Suto E, Wu X, Zhang J, Ly JQ, La H, Johnson K, Baumgardner M, Chou KJ, Rohou A, Rougé L, Safina BS, Magnuson S, Volgraf M.
Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a... Terrett JA, Chen H, Shore DG, Villemure E, Larouche-Gauthier R, Déry M, Beaumier F, Constantineau-Forget L, Grand-Maître C, Lépissier L, Ciblat S, Sturino C, Chen Y, Hu B, Lu A, Wang Y, Cridland AP, Ward SI, Hackos DH, Reese RM, Shields SD, Chen J, Balestrini A, Riol-Blanco L, Lee WP, Liu J, Suto E, Wu X, Zhang J, Ly JQ, La H, Johnson K, Baumgardner M, Chou KJ, Rohou A, Rougé L, Safina BS, Magnuson S, Volgraf M.: Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy. J Med Chem, Volume 64 (7), 2021 J Med Chem 2021 33749283
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Teske KA, Bogart JW, Arnold LA.
Teske KA, Bogart JW, Arnold LA.
Novel VDR antagonists based on the GW0742 scaffold. Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018 Bioorg Med Chem Lett 2018 29287957
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Teuscher KB, Zhang M, Ji H.
Teuscher KB, Zhang M, Ji H.
A Versatile Method to Determine the Cellular Bioavailability of Small-Molecule Inhibitors. Teuscher KB, Zhang M, Ji H.: A Versatile Method to Determine the Cellular Bioavailability of Small-Molecule Inhibitors. J Med Chem, Volume 60 (1), 2017 J Med Chem 2017 27935314
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Thakur A, Tawa GJ, Henderson MJ, Danchik C, Liu S, Shah P,...
Thakur A, Tawa GJ, Henderson MJ, Danchik C, Liu S, Shah P, Wang AQ, Dunn G, Kabir M, Padilha EC, Xu X, Simeonov A, Kharbanda S, Stone R, Grewal G.
Design, Synthesis, and Biological Evaluation of Quinazolin-4-one-Based Hydroxamic Acids as Dual PI3K/HDAC Inhibitors. Thakur A, Tawa GJ, Henderson MJ, Danchik C, Liu S, Shah P, Wang AQ, Dunn G, Kabir M, Padilha EC, Xu X, Simeonov A, Kharbanda S, Stone R, Grewal G.: Design, Synthesis, and Biological Evaluation of Quinazolin-4-one-Based Hydroxamic Acids as Dual PI3K/HDAC Inhibitors. J Med Chem, Volume 63 (8), 2020 J Med Chem 2020 32212730
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Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S,...
Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.
Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical... Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015 Bioorg Med Chem 2015 25533323
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Theodoulou NH, Bamborough P, Bannister AJ, Becher I, Bit...
Theodoulou NH, Bamborough P, Bannister AJ, Becher I, Bit RA, Che KH, Chung CW, Dittmann A, Drewes G, Drewry DH, Gordon L, Grandi P, Leveridge M, Lindon M, Michon AM, Molnar J, Robson SC, Tomkinson NC, Kouzarides T, Prinjha RK, Humphreys PG.
Discovery of I-BRD9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. Theodoulou NH, Bamborough P, Bannister AJ, Becher I, Bit RA, Che KH, Chung CW, Dittmann A, Drewes G, Drewry DH, Gordon L, Grandi P, Leveridge M, Lindon M, Michon AM, Molnar J, Robson SC, Tomkinson NC, Kouzarides T, Prinjha RK, Humphreys PG.: Discovery of I-BRD9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J Med Chem, Volume 59 (4), 2016 J Med Chem 2016 25856009
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Thiele NA, Kärkkäinen J, Sloan KB, Rautio J, Huttunen KM.
Thiele NA, Kärkkäinen J, Sloan KB, Rautio J, Huttunen KM.
Secondary carbamate linker can facilitate the sustained release of dopamine from brain-targeted prodrug. Thiele NA, Kärkkäinen J, Sloan KB, Rautio J, Huttunen KM.: Secondary carbamate linker can facilitate the sustained release of dopamine from brain-targeted prodrug. Bioorg Med Chem Lett, Volume 28 (17), 2018 Bioorg Med Chem Lett 2018 30055889
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Thoma G, Baenteli R, Lewis I, Wagner T, Oberer L, Blum W,...
Thoma G, Baenteli R, Lewis I, Wagner T, Oberer L, Blum W, Glickman F, Streiff MB, Zerwes HG.
Special ergolines are highly selective, potent antagonists of the chemokine receptor CXCR3: discovery, characterization... Thoma G, Baenteli R, Lewis I, Wagner T, Oberer L, Blum W, Glickman F, Streiff MB, Zerwes HG.: Special ergolines are highly selective, potent antagonists of the chemokine receptor CXCR3: discovery, characterization and preliminary SAR of a promising lead. Bioorg Med Chem Lett, Volume 19 (21), 2009 Bioorg Med Chem Lett 2009 19783143
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Thoma G, Beerli C, Bigaud M, Bruns C, Cooke NG, Streiff MB,...
Thoma G, Beerli C, Bigaud M, Bruns C, Cooke NG, Streiff MB, Zerwes HG.
Reduced cardiac side-effect potential by introduction of polar groups: discovery of NIBR-1282, an orally bioavailable... Thoma G, Beerli C, Bigaud M, Bruns C, Cooke NG, Streiff MB, Zerwes HG.: Reduced cardiac side-effect potential by introduction of polar groups: discovery of NIBR-1282, an orally bioavailable CCR5 antagonist which is active in vivo. Bioorg Med Chem Lett, Volume 18 (6), 2008 Bioorg Med Chem Lett 2008 18267361
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Thoma G, Blanz J, Bühlmayer P, Drückes P, Kittelmann M,...
Thoma G, Blanz J, Bühlmayer P, Drückes P, Kittelmann M, Smith AB, van Eis M, Vangrevelinghe E, Zerwes HG, Che JJ, He X, Jin Y, Lee CC, Michellys PY, Uno T, Liu H.
Syk inhibitors with high potency in presence of blood. Thoma G, Blanz J, Bühlmayer P, Drückes P, Kittelmann M, Smith AB, van Eis M, Vangrevelinghe E, Zerwes HG, Che JJ, He X, Jin Y, Lee CC, Michellys PY, Uno T, Liu H.: Syk inhibitors with high potency in presence of blood. Bioorg Med Chem Lett, Volume 24 (10), 2014 Bioorg Med Chem Lett 2014 24726806
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Thoma G, Nuninger F, Falchetto R, Hermes E, Tavares GA,...
Thoma G, Nuninger F, Falchetto R, Hermes E, Tavares GA, Vangrevelinghe E, Zerwes HG.
Identification of a potent Janus kinase 3 inhibitor with high selectivity within the Janus kinase family. Thoma G, Nuninger F, Falchetto R, Hermes E, Tavares GA, Vangrevelinghe E, Zerwes HG.: Identification of a potent Janus kinase 3 inhibitor with high selectivity within the Janus kinase family. J Med Chem, Volume 54 (1), 2011 J Med Chem 2011 21155605
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Thoma G, Veenstra S, Strang R, Blanz J, Vangrevelinghe E,...
Thoma G, Veenstra S, Strang R, Blanz J, Vangrevelinghe E, Berghausen J, Lee CC, Zerwes HG.
Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Thoma G, Veenstra S, Strang R, Blanz J, Vangrevelinghe E, Berghausen J, Lee CC, Zerwes HG.: Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Bioorg Med Chem Lett, Volume 25 (20), 2015 Bioorg Med Chem Lett 2015 26320624
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Thomae AV, Koch T, Panse C, Wunderli-Allenspach H, Krämer...
Thomae AV, Koch T, Panse C, Wunderli-Allenspach H, Krämer SD.
Comparing the lipid membrane affinity and permeation of drug-like acids: the intriguing effects of cholesterol and... Thomae AV, Koch T, Panse C, Wunderli-Allenspach H, Krämer SD.: Comparing the lipid membrane affinity and permeation of drug-like acids: the intriguing effects of cholesterol and charged lipids. Pharm Res, Volume 24 (8), 2007 Pharm Res 2007 17387599
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Thompson LA, Shi J, Decicco CP, Tebben AJ, Olson RE, Boy...
Thompson LA, Shi J, Decicco CP, Tebben AJ, Olson RE, Boy KM, Guernon JM, Good AC, Liauw A, Zheng C, Copeland RA, Combs AP, Trainor GL, Camac DM, Muckelbauer JK, Lentz KA, Grace JE, Burton CR, Toyn JH, Barten DM, Marcinkeviciene J, Meredith JE, Albright CF, Macor JE.
Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors. Thompson LA, Shi J, Decicco CP, Tebben AJ, Olson RE, Boy KM, Guernon JM, Good AC, Liauw A, Zheng C, Copeland RA, Combs AP, Trainor GL, Camac DM, Muckelbauer JK, Lentz KA, Grace JE, Burton CR, Toyn JH, Barten DM, Marcinkeviciene J, Meredith JE, Albright CF, Macor JE.: Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors. Bioorg Med Chem Lett, Volume 21 (22), 2011 Bioorg Med Chem Lett 2011 21974952
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Thondorf I, Voigt V, Schäfer S, Gebauer S, Zebisch K, Laug...
Thondorf I, Voigt V, Schäfer S, Gebauer S, Zebisch K, Laug L, Brandsch M.
Three-dimensional quantitative structure-activity relationship analyses of substrates of the human proton-coupled amino... Thondorf I, Voigt V, Schäfer S, Gebauer S, Zebisch K, Laug L, Brandsch M.: Three-dimensional quantitative structure-activity relationship analyses of substrates of the human proton-coupled amino acid transporter 1 (hPAT1). Bioorg Med Chem, Volume 19 (21), 2011 Bioorg Med Chem 2011 21955456
Total substances: 32
Total passive interactions: 0
Total active interactions: 32
Thurairatnam S, Lim S, Barker RH, Choi-Sledeski YM, Hirth...
Thurairatnam S, Lim S, Barker RH, Choi-Sledeski YM, Hirth BH, Jiang J, Macor JE, Makino E, Maniar S, Musick K, Pribish JR, Munson M.
Brain Penetrable Inhibitors of Ceramide Galactosyltransferase for the Treatment of Lysosomal Storage Disorders. Thurairatnam S, Lim S, Barker RH, Choi-Sledeski YM, Hirth BH, Jiang J, Macor JE, Makino E, Maniar S, Musick K, Pribish JR, Munson M.: Brain Penetrable Inhibitors of Ceramide Galactosyltransferase for the Treatment of Lysosomal Storage Disorders. ACS Med Chem Lett, Volume 11 (10), 2020 ACS Med Chem Lett 2020 33062186
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Tian L, Liu H, Xie S, Jiang J, Han L, Huang Y, Li Y.
Tian L, Liu H, Xie S, Jiang J, Han L, Huang Y, Li Y.
Effect of organic anion-transporting polypeptide 1B1 (OATP1B1) polymorphism on the single- and multiple-dose... Tian L, Liu H, Xie S, Jiang J, Han L, Huang Y, Li Y.: Effect of organic anion-transporting polypeptide 1B1 (OATP1B1) polymorphism on the single- and multiple-dose pharmacokinetics of enalapril in healthy Chinese adult men. Clin Ther, Volume 33 (5), 2011 Clin Ther 2011 21665049
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tian M, Liu Y, Sun Y, Zhang R, Feng R, Zhang G, Guo L, Li...
Tian M, Liu Y, Sun Y, Zhang R, Feng R, Zhang G, Guo L, Li X, Yu X, Sun JZ, He X.
A single fluorescent probe enables clearly discriminating and simultaneously imaging liquid-ordered and... Tian M, Liu Y, Sun Y, Zhang R, Feng R, Zhang G, Guo L, Li X, Yu X, Sun JZ, He X.: A single fluorescent probe enables clearly discriminating and simultaneously imaging liquid-ordered and liquid-disordered microdomains in plasma membrane of living cells. Biomaterials, Volume 120, 46-56, 2017 Biomaterials 2017 28027503
Total substances: 2
Total passive interactions: 2
Total active interactions: 0
Tian X, Field TB, Switzer AG, Mazur AW, Ebetino FH, Wos JA,...
Tian X, Field TB, Switzer AG, Mazur AW, Ebetino FH, Wos JA, Berberich SM, Jayasinghe LR, Obringer CM, Dowty ME, Pinney BB, Farmer JA, Crossdoersen D, Sheldon RJ.
Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally... Tian X, Field TB, Switzer AG, Mazur AW, Ebetino FH, Wos JA, Berberich SM, Jayasinghe LR, Obringer CM, Dowty ME, Pinney BB, Farmer JA, Crossdoersen D, Sheldon RJ.: Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic approach. J Med Chem, Volume 49 (15), 2006 J Med Chem 2006 16854081
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Tian X, Switzer AG, Derose SA, Mishra RK, Solinsky MG,...
Tian X, Switzer AG, Derose SA, Mishra RK, Solinsky MG, Mumin RN, Ebetino FH, Jayasinghe LR, Webster ME, Colson AO, Crossdoersen D, Pinney BB, Farmer JA, Dowty ME, Obringer CM, Cruze CA, Burklow ML, Suchanek PM, Dong L, Dirr MK, Sheldon RJ, Wos JA.
Discovery of orally bioavailable 1,3,4-trisubstituted 2-oxopiperazine-based melanocortin-4 receptor agonists as... Tian X, Switzer AG, Derose SA, Mishra RK, Solinsky MG, Mumin RN, Ebetino FH, Jayasinghe LR, Webster ME, Colson AO, Crossdoersen D, Pinney BB, Farmer JA, Dowty ME, Obringer CM, Cruze CA, Burklow ML, Suchanek PM, Dong L, Dirr MK, Sheldon RJ, Wos JA.: Discovery of orally bioavailable 1,3,4-trisubstituted 2-oxopiperazine-based melanocortin-4 receptor agonists as potential antiobesity agents. J Med Chem, Volume 51 (19), 2008 J Med Chem 2008 18771254
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Tiberghien F, Loor F.
Tiberghien F, Loor F.
Ranking of P-glycoprotein substrates and inhibitors by a calcein-AM fluorometry screening assay. Tiberghien F, Loor F.: Ranking of P-glycoprotein substrates and inhibitors by a calcein-AM fluorometry screening assay. Anticancer Drugs, Volume 7 (5), 1996 Anticancer Drugs 1996 8862725
Total substances: 2
Total passive interactions: 0
Total active interactions: 3
Tilley JW, Sidduri A, Lou J, Kaplan G, Tare N, Cavallo G,...
Tilley JW, Sidduri A, Lou J, Kaplan G, Tare N, Cavallo G, Frank K, Pamidimukkala A, Choi DS, Gerber L, Railkar A, Renzetti L.
Identification of N-acyl 4-(3-pyridonyl)phenylalanine derivatives and their orally active prodrug esters as dual acting... Tilley JW, Sidduri A, Lou J, Kaplan G, Tare N, Cavallo G, Frank K, Pamidimukkala A, Choi DS, Gerber L, Railkar A, Renzetti L.: Identification of N-acyl 4-(3-pyridonyl)phenylalanine derivatives and their orally active prodrug esters as dual acting α4β1 and α4β7 receptor antagonists. Bioorg Med Chem Lett, Volume 23 (4), 2013 Bioorg Med Chem Lett 2013 23312471
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Timple JM, Magalhães LG, Souza Rezende KC, Pereira AC,...
Timple JM, Magalhães LG, Souza Rezende KC, Pereira AC, Cunha WR, Andrade e Silva ML, Mortensen OV, Mortensen OV, Fontana AC.
The lignan (-)-hinokinin displays modulatory effects on human monoamine and GABA transporter activities. Timple JM, Magalhães LG, Souza Rezende KC, Pereira AC, Cunha WR, Andrade e Silva ML, Mortensen OV, Mortensen OV, Fontana AC.: The lignan (-)-hinokinin displays modulatory effects on human monoamine and GABA transporter activities. J Nat Prod, Volume 76 (10), 2013 J Nat Prod 2013 24112084
Total substances: 2
Total passive interactions: 0
Total active interactions: 10
Timr Š, Bondar A, Cwiklik L, Štefl M, Hof M, Vazdar M,...
Timr Š, Bondar A, Cwiklik L, Štefl M, Hof M, Vazdar M, Lazar J, Lazar J, Jungwirth P.
Accurate determination of the orientational distribution of a fluorescent molecule in a phospholipid membrane. Timr Š, Bondar A, Cwiklik L, Štefl M, Hof M, Vazdar M, Lazar J, Lazar J, Jungwirth P.: Accurate determination of the orientational distribution of a fluorescent molecule in a phospholipid membrane. J Phys Chem B, Volume 118 (4), 855-863, 2014 J Phys Chem B 2014 24261603
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM,...
Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM, Bizzarri BM, Cascone L, Casian A, Zamperini C, Dreassi E, Crespan E, Maga G, Vanham G, Ceresola E, Canducci F, Ariën KK, Botta M.
Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase... Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM, Bizzarri BM, Cascone L, Casian A, Zamperini C, Dreassi E, Crespan E, Maga G, Vanham G, Ceresola E, Canducci F, Ariën KK, Botta M.: Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family. J Med Chem, Volume 59 (6), 2016 J Med Chem 2016 26898379
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Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E,...
Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.
Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent... Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015 J Med Chem 2015 25469771
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Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL,...
Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.
Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as... Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015 J Med Chem 2015 25923950
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Tirona RG, Leake BF, Wolkoff AW, Kim RB.
Tirona RG, Leake BF, Wolkoff AW, Kim RB.
Human organic anion transporting polypeptide-C (SLC21A6) is a major determinant of rifampin-mediated pregnane X... Tirona RG, Leake BF, Wolkoff AW, Kim RB.: Human organic anion transporting polypeptide-C (SLC21A6) is a major determinant of rifampin-mediated pregnane X receptor activation. J Pharmacol Exp Ther, Volume 304 (1), 2003 J Pharmacol Exp Ther 2003 12490595
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tobe M, Tsuboi K, Hasegawa F, Fujiwara N, Inoue Y, Isobe M,...
Tobe M, Tsuboi K, Hasegawa F, Fujiwara N, Inoue Y, Isobe M, Isobe Y.
Synthesis and biological evaluation of novel orally available 1-phenyl-6-aminouracils containing... Tobe M, Tsuboi K, Hasegawa F, Fujiwara N, Inoue Y, Isobe M, Isobe Y.: Synthesis and biological evaluation of novel orally available 1-phenyl-6-aminouracils containing dimethyldihydrobenzofuranol structure for the treatment of allergic skin diseases. Bioorg Med Chem Lett, Volume 26 (4), 2016 Bioorg Med Chem Lett 2016 26786694
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Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y,...
Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.
Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013 ACS Med Chem Lett 2013 24900747
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Tokarenko A, Lišková B, Smoleń S, Táborská N, Tichý...
Tokarenko A, Lišková B, Smoleń S, Táborská N, Tichý M, Gurská S, Perlíková P, Frydrych I, Tloušt'ová E, Znojek P, Mertlíková-Kaiserová H, Poštová Slavětínská L, Pohl R, Klepetářová B, Khalid NU, Wenren Y, Laposa RR, Džubák P, Hajdúch M, Hocek M.
Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. Tokarenko A, Lišková B, Smoleń S, Táborská N, Tichý M, Gurská S, Perlíková P, Frydrych I, Tloušt'ová E, Znojek P, Mertlíková-Kaiserová H, Poštová Slavětínská L, Pohl R, Klepetářová B, Khalid NU, Wenren Y, Laposa RR, Džubák P, Hajdúch M, Hocek M.: Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. J Med Chem, Volume 61 (20), 2018 J Med Chem 2018 30281308
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Tokuhara H, Imaeda Y, Fukase Y, Iwanaga K, Taya N, Watanabe...
Tokuhara H, Imaeda Y, Fukase Y, Iwanaga K, Taya N, Watanabe K, Kanagawa R, Matsuda K, Kajimoto Y, Kusumoto K, Kondo M, Snell G, Behnke CA, Kuroita T.
Discovery of benzimidazole derivatives as orally active renin inhibitors: Optimization of 3,5-disubstituted piperidine... Tokuhara H, Imaeda Y, Fukase Y, Iwanaga K, Taya N, Watanabe K, Kanagawa R, Matsuda K, Kajimoto Y, Kusumoto K, Kondo M, Snell G, Behnke CA, Kuroita T.: Discovery of benzimidazole derivatives as orally active renin inhibitors: Optimization of 3,5-disubstituted piperidine to improve pharmacokinetic profile. Bioorg Med Chem, Volume 26 (12), 2018 Bioorg Med Chem 2018 29754833
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Toledo-Sherman LM, Prime ME, Mrzljak L, Beconi MG,...
Toledo-Sherman LM, Prime ME, Mrzljak L, Beconi MG, Beresford A, Brookfield FA, Brown CJ, Cardaun I, Courtney SM, Dijkman U, Hamelin-Flegg E, Johnson PD, Kempf V, Lyons K, Matthews K, Mitchell WL, O'Connell C, Pena P, Powell K, Rassoulpour A, Reed L, Reindl W, Selvaratnam S, Friley WW, Weddell DA, Went NE, Wheelan P, Winkler C, Winkler D, Wityak J, Yarnold CJ, Yates D, Munoz-Sanjuan I, Dominguez C.
Development of a series of aryl pyrimidine kynurenine monooxygenase inhibitors as potential therapeutic agents for the... Toledo-Sherman LM, Prime ME, Mrzljak L, Beconi MG, Beresford A, Brookfield FA, Brown CJ, Cardaun I, Courtney SM, Dijkman U, Hamelin-Flegg E, Johnson PD, Kempf V, Lyons K, Matthews K, Mitchell WL, O'Connell C, Pena P, Powell K, Rassoulpour A, Reed L, Reindl W, Selvaratnam S, Friley WW, Weddell DA, Went NE, Wheelan P, Winkler C, Winkler D, Wityak J, Yarnold CJ, Yates D, Munoz-Sanjuan I, Dominguez C.: Development of a series of aryl pyrimidine kynurenine monooxygenase inhibitors as potential therapeutic agents for the treatment of Huntington's disease. J Med Chem, Volume 58 (3), 2015 J Med Chem 2015 25590515
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Tomczuk B, Lu T, Soll RM, Fedde C, Wang A, Murphy L,...
Tomczuk B, Lu T, Soll RM, Fedde C, Wang A, Murphy L, Crysler C, Dasgupta M, Eisennagel S, Spurlino J, Bone R.
Oxyguanidines: application to non-peptidic phenyl-based thrombin inhibitors. Tomczuk B, Lu T, Soll RM, Fedde C, Wang A, Murphy L, Crysler C, Dasgupta M, Eisennagel S, Spurlino J, Bone R.: Oxyguanidines: application to non-peptidic phenyl-based thrombin inhibitors. Bioorg Med Chem Lett, Volume 13 (8), 2003 Bioorg Med Chem Lett 2003 12668020
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Tong L, Kim SH, Chen L, Kosinski A, Shankar BB,...
Tong L, Kim SH, Chen L, Kosinski A, Shankar BB, Girijavallabhan V, Yang DY, Yu W, Zhou G, Shih NY, Chen S, Hu M, Lundell D, Niu X, Umland S, Kozlowski JA.
Development of a prodrug of hydantoin based TACE inhibitor. Tong L, Kim SH, Chen L, Kosinski A, Shankar BB, Girijavallabhan V, Yang DY, Yu W, Zhou G, Shih NY, Chen S, Hu M, Lundell D, Niu X, Umland S, Kozlowski JA.: Development of a prodrug of hydantoin based TACE inhibitor. Bioorg Med Chem Lett, Volume 27 (16), 2017 Bioorg Med Chem Lett 2017 28711352
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Tong L, Kim SH, Rosner K, Yu W, Shankar BB, Chen L, Li D,...
Tong L, Kim SH, Rosner K, Yu W, Shankar BB, Chen L, Li D, Dai C, Girijavallabhan V, Popovici-Muller J, Yang L, Zhou G, Kosinski A, Siddiqui MA, Shih NY, Guo Z, Orth P, Chen S, Lundell D, Niu X, Umland S, Kozlowski JA.
Fused bi-heteroaryl substituted hydantoin compounds as TACE inhibitors. Tong L, Kim SH, Rosner K, Yu W, Shankar BB, Chen L, Li D, Dai C, Girijavallabhan V, Popovici-Muller J, Yang L, Zhou G, Kosinski A, Siddiqui MA, Shih NY, Guo Z, Orth P, Chen S, Lundell D, Niu X, Umland S, Kozlowski JA.: Fused bi-heteroaryl substituted hydantoin compounds as TACE inhibitors. Bioorg Med Chem Lett, Volume 27 (14), 2017 Bioorg Med Chem Lett 2017 28558971
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Tong L, Phan TK, Robinson KL, Babusis D, Strab R, Bhoopathy...
Tong L, Phan TK, Robinson KL, Babusis D, Strab R, Bhoopathy S, Hidalgo IJ, Rhodes GR, Ray AS.
Effects of human immunodeficiency virus protease inhibitors on the intestinal absorption of tenofovir disoproxil... Tong L, Phan TK, Robinson KL, Babusis D, Strab R, Bhoopathy S, Hidalgo IJ, Rhodes GR, Ray AS.: Effects of human immunodeficiency virus protease inhibitors on the intestinal absorption of tenofovir disoproxil fumarate in vitro. Antimicrob Agents Chemother, Volume 51 (10), 2007 Antimicrob Agents Chemother 2007 17664327
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Tong Y, Claiborne A, Pyzytulinska M, Tao ZF, Stewart KD,...
Tong Y, Claiborne A, Pyzytulinska M, Tao ZF, Stewart KD, Kovar P, Chen Z, Credo RB, Guan R, Merta PJ, Zhang H, Bouska J, Everitt EA, Murry BP, Hickman D, Stratton TJ, Wu J, Rosenberg SH, Sham HL, Sowin TJ, Lin NH.
1,4-Dihydroindeno[1,2-c]pyrazoles as potent checkpoint kinase 1 inhibitors: extended exploration on phenyl ring... Tong Y, Claiborne A, Pyzytulinska M, Tao ZF, Stewart KD, Kovar P, Chen Z, Credo RB, Guan R, Merta PJ, Zhang H, Bouska J, Everitt EA, Murry BP, Hickman D, Stratton TJ, Wu J, Rosenberg SH, Sham HL, Sowin TJ, Lin NH.: 1,4-Dihydroindeno[1,2-c]pyrazoles as potent checkpoint kinase 1 inhibitors: extended exploration on phenyl ring substitutions and preliminary ADME/PK studies. Bioorg Med Chem Lett, Volume 17 (13), 2007 Bioorg Med Chem Lett 2007 17490879
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Topiol S, Bang-Andersen B, Sanchez C, Plenge P, Loland CJ,...
Topiol S, Bang-Andersen B, Sanchez C, Plenge P, Loland CJ, Juhl K, Larsen K, Bregnedal P, Bøgesø KP.
X-ray structure based evaluation of analogs of citalopram: Compounds with increased affinity and selectivity compared... Topiol S, Bang-Andersen B, Sanchez C, Plenge P, Loland CJ, Juhl K, Larsen K, Bregnedal P, Bøgesø KP.: X-ray structure based evaluation of analogs of citalopram: Compounds with increased affinity and selectivity compared with R-citalopram for the allosteric site (S2) on hSERT. Bioorg Med Chem Lett, Volume 27 (3), 2017 Bioorg Med Chem Lett 2017 28041833
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Tora G, Degnan AP, Conway CM, Kostich WA, Davis CD, Pin SS,...
Tora G, Degnan AP, Conway CM, Kostich WA, Davis CD, Pin SS, Schartman R, Xu C, Widmann KA, Macor JE, Dubowchik GM.
Preparation of imidazoles as potent calcitonin gene-related peptide (CGRP) antagonists. Tora G, Degnan AP, Conway CM, Kostich WA, Davis CD, Pin SS, Schartman R, Xu C, Widmann KA, Macor JE, Dubowchik GM.: Preparation of imidazoles as potent calcitonin gene-related peptide (CGRP) antagonists. Bioorg Med Chem Lett, Volume 23 (20), 2013 Bioorg Med Chem Lett 2013 23993336
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Tosh DK, Ciancetta A, Warnick E, Crane S, Gao ZG, Jacobson...
Tosh DK, Ciancetta A, Warnick E, Crane S, Gao ZG, Jacobson KA.
Structure-Based Scaffold Repurposing for G Protein-Coupled Receptors: Transformation of Adenosine Derivatives into... Tosh DK, Ciancetta A, Warnick E, Crane S, Gao ZG, Jacobson KA.: Structure-Based Scaffold Repurposing for G Protein-Coupled Receptors: Transformation of Adenosine Derivatives into 5HT2B/5HT2C Serotonin Receptor Antagonists. J Med Chem, Volume 59 (24), 2016 J Med Chem 2016 27933810
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Tosh DK, Janowsky A, Eshleman AJ, Warnick E, Gao ZG, Chen...
Tosh DK, Janowsky A, Eshleman AJ, Warnick E, Gao ZG, Chen Z, Gizewski E, Auchampach JA, Salvemini D, Jacobson KA.
Scaffold Repurposing of Nucleosides (Adenosine Receptor Agonists): Enhanced Activity at the Human Dopamine and... Tosh DK, Janowsky A, Eshleman AJ, Warnick E, Gao ZG, Chen Z, Gizewski E, Auchampach JA, Salvemini D, Jacobson KA.: Scaffold Repurposing of Nucleosides (Adenosine Receptor Agonists): Enhanced Activity at the Human Dopamine and Norepinephrine Sodium Symporters. J Med Chem, Volume 60 (7), 2017 J Med Chem 2017 28319392
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Tóth I, Malkinson JP, Flinn NS, Drouillat B, Horváth A,...
Tóth I, Malkinson JP, Flinn NS, Drouillat B, Horváth A, Erchegyi J, Idei M, Venetianer A, Artursson P, Lazorova L, Szende B, Kéri G.
Novel lipoamino acid- and liposaccharide-based system for peptide delivery: application for oral administration of... Tóth I, Malkinson JP, Flinn NS, Drouillat B, Horváth A, Erchegyi J, Idei M, Venetianer A, Artursson P, Lazorova L, Szende B, Kéri G.: Novel lipoamino acid- and liposaccharide-based system for peptide delivery: application for oral administration of tumor-selective somatostatin analogues. J Med Chem, Volume 42 (19), 1999 J Med Chem 1999 10508449
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Touré BB, Giraldes J, Smith T, Sprague ER, Wang Y, Mathieu...
Touré BB, Giraldes J, Smith T, Sprague ER, Wang Y, Mathieu S, Chen Z, Mishina Y, Feng Y, Yan-Neale Y, Shakya S, Chen D, Meyer M, Puleo D, Brazell JT, Straub C, Sage D, Wright K, Yuan Y, Chen X, Duca J, Kim S, Tian L, Martin E, Hurov K, Shao W.
Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and... Touré BB, Giraldes J, Smith T, Sprague ER, Wang Y, Mathieu S, Chen Z, Mishina Y, Feng Y, Yan-Neale Y, Shakya S, Chen D, Meyer M, Puleo D, Brazell JT, Straub C, Sage D, Wright K, Yuan Y, Chen X, Duca J, Kim S, Tian L, Martin E, Hurov K, Shao W.: Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J Med Chem, Volume 59 (10), 2016 J Med Chem 2016 27187609
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Touré BB, Miller-Moslin K, Yusuff N, Perez L, Doré M,...
Touré BB, Miller-Moslin K, Yusuff N, Perez L, Doré M, Joud C, Michael W, DiPietro L, van der Plas S, McEwan M, Lenoir F, Hoe M, Karki R, Springer C, Sullivan J, Levine K, Fiorilla C, Xie X, Kulathila R, Herlihy K, Porter D, Visser M.
The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions. Touré BB, Miller-Moslin K, Yusuff N, Perez L, Doré M, Joud C, Michael W, DiPietro L, van der Plas S, McEwan M, Lenoir F, Hoe M, Karki R, Springer C, Sullivan J, Levine K, Fiorilla C, Xie X, Kulathila R, Herlihy K, Porter D, Visser M.: The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions. ACS Med Chem Lett, Volume 4 (2), 2013 ACS Med Chem Lett 2013 24900652
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Toutah K, Nawar N, Timonen S, Sorger H, Raouf YS, Bukhari...
Toutah K, Nawar N, Timonen S, Sorger H, Raouf YS, Bukhari S, von Jan J, Ianevski A, Gawel JM, Olaoye OO, Geletu M, Abdeldayem A, Israelian J, Radu TB, Sedighi A, Bhatti MN, Hassan MM, Manaswiyoungkul P, Shouksmith AE, Neubauer HA, de Araujo ED, Aittokallio T, Krämer OH, Moriggl R, Mustjoki S, Herling M, Gunning PT.
Development of HDAC Inhibitors Exhibiting Therapeutic Potential in T-Cell Prolymphocytic Leukemia. Toutah K, Nawar N, Timonen S, Sorger H, Raouf YS, Bukhari S, von Jan J, Ianevski A, Gawel JM, Olaoye OO, Geletu M, Abdeldayem A, Israelian J, Radu TB, Sedighi A, Bhatti MN, Hassan MM, Manaswiyoungkul P, Shouksmith AE, Neubauer HA, de Araujo ED, Aittokallio T, Krämer OH, Moriggl R, Mustjoki S, Herling M, Gunning PT.: Development of HDAC Inhibitors Exhibiting Therapeutic Potential in T-Cell Prolymphocytic Leukemia. J Med Chem, Volume 64 (12), 2021 J Med Chem 2021 34101461
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Toviwek B, Riley J, Mutter N, Anderson M, Webster L,...
Toviwek B, Riley J, Mutter N, Anderson M, Webster L, Hallyburton I, Gleeson D, Read KD, Gleeson MP.
Preparation, biological evaluation and QSAR analysis of urea substituted 2,4-diamino-pyrimidine anti-malarials. Toviwek B, Riley J, Mutter N, Anderson M, Webster L, Hallyburton I, Gleeson D, Read KD, Gleeson MP.: Preparation, biological evaluation and QSAR analysis of urea substituted 2,4-diamino-pyrimidine anti-malarials. RSC Med Chem, Volume 13 (12), 2022 RSC Med Chem 2022 36561069
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Tran JA, Jiang W, Tucci FC, Fleck BA, Wen J, Sai Y, Madan...
Tran JA, Jiang W, Tucci FC, Fleck BA, Wen J, Sai Y, Madan A, Chen TK, Markison S, Foster AC, Hoare SR, Marks D, Harman J, Chen CW, Arellano M, Marinkovic D, Bozigian H, Saunders J, Chen C.
Design, synthesis, in vitro, and in vivo characterization of phenylpiperazines and pyridinylpiperazines as potent and... Tran JA, Jiang W, Tucci FC, Fleck BA, Wen J, Sai Y, Madan A, Chen TK, Markison S, Foster AC, Hoare SR, Marks D, Harman J, Chen CW, Arellano M, Marinkovic D, Bozigian H, Saunders J, Chen C.: Design, synthesis, in vitro, and in vivo characterization of phenylpiperazines and pyridinylpiperazines as potent and selective antagonists of the melanocortin-4 receptor. J Med Chem, Volume 50 (25), 2007 J Med Chem 2007 17994683
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Trani G, Barker JJ, Bromidge SM, Brookfield FA, Burch JD,...
Trani G, Barker JJ, Bromidge SM, Brookfield FA, Burch JD, Chen Y, Eigenbrot C, Heifetz A, Ismaili MHA, Johnson A, Krülle TM, MacKinnon CH, Maghames R, McEwan PA, Montalbetti CAGN, Ortwine DF, Pérez-Fuertes Y, Vaidya DG, Wang X, Zarrin AA, Pei Z.
Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2... Trani G, Barker JJ, Bromidge SM, Brookfield FA, Burch JD, Chen Y, Eigenbrot C, Heifetz A, Ismaili MHA, Johnson A, Krülle TM, MacKinnon CH, Maghames R, McEwan PA, Montalbetti CAGN, Ortwine DF, Pérez-Fuertes Y, Vaidya DG, Wang X, Zarrin AA, Pei Z.: Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK). Bioorg Med Chem Lett, Volume 24 (24), 2014 Bioorg Med Chem Lett 2014 25455497
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Traquandi G, Ciomei M, Ballinari D, Casale E, Colombo N,...
Traquandi G, Ciomei M, Ballinari D, Casale E, Colombo N, Croci V, Fiorentini F, Isacchi A, Longo A, Mercurio C, Panzeri A, Pastori W, Pevarello P, Volpi D, Roussel P, Vulpetti A, Brasca MG.
Identification of potent pyrazolo[4,3-h]quinazoline-3-carboxamides as multi-cyclin-dependent kinase inhibitors. Traquandi G, Ciomei M, Ballinari D, Casale E, Colombo N, Croci V, Fiorentini F, Isacchi A, Longo A, Mercurio C, Panzeri A, Pastori W, Pevarello P, Volpi D, Roussel P, Vulpetti A, Brasca MG.: Identification of potent pyrazolo[4,3-h]quinazoline-3-carboxamides as multi-cyclin-dependent kinase inhibitors. J Med Chem, Volume 53 (5), 2010 J Med Chem 2010 20141146
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Treiber A, Schneiter R, Häusler S, Stieger B.
Treiber A, Schneiter R, Häusler S, Stieger B.
Bosentan is a substrate of human OATP1B1 and OATP1B3: inhibition of hepatic uptake as the common mechanism of its... Treiber A, Schneiter R, Häusler S, Stieger B.: Bosentan is a substrate of human OATP1B1 and OATP1B3: inhibition of hepatic uptake as the common mechanism of its interactions with cyclosporin A, rifampicin, and sildenafil. Drug Metab Dispos, Volume 35 (8), 2007 Drug Metab Dispos 2007 17496208
Total substances: 7
Total passive interactions: 0
Total active interactions: 10
Tremblay M, Bethell RC, Cordingley MG, DeRoy P, Duan J,...
Tremblay M, Bethell RC, Cordingley MG, DeRoy P, Duan J, Duplessis M, Edwards PJ, Faucher AM, Halmos T, James CA, Kuhn C, Lacoste JÉ, Lamorte L, LaPlante SR, Malenfant E, Minville J, Morency L, Morin S, Rajotte D, Salois P, Simoneau B, Tremblay S, Sturino CF.
Identification of benzofurano[3,2-d]pyrimidin-2-ones, a new series of HIV-1 nucleotide-competing reverse transcriptase... Tremblay M, Bethell RC, Cordingley MG, DeRoy P, Duan J, Duplessis M, Edwards PJ, Faucher AM, Halmos T, James CA, Kuhn C, Lacoste JÉ, Lamorte L, LaPlante SR, Malenfant E, Minville J, Morency L, Morin S, Rajotte D, Salois P, Simoneau B, Tremblay S, Sturino CF.: Identification of benzofurano[3,2-d]pyrimidin-2-ones, a new series of HIV-1 nucleotide-competing reverse transcriptase inhibitors. Bioorg Med Chem Lett, Volume 23 (9), 2013 Bioorg Med Chem Lett 2013 23511023
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Tremblay M, Bonneau P, Bousquet Y, DeRoy P, Duan J,...
Tremblay M, Bonneau P, Bousquet Y, DeRoy P, Duan J, Duplessis M, Gagnon A, Garneau M, Goudreau N, Guse I, Hucke O, Kawai SH, Lemke CT, Mason SW, Simoneau B, Surprenant S, Titolo S, Yoakim C.
Inhibition of HIV-1 capsid assembly: optimization of the antiviral potency by site selective modifications at N1, C2... Tremblay M, Bonneau P, Bousquet Y, DeRoy P, Duan J, Duplessis M, Gagnon A, Garneau M, Goudreau N, Guse I, Hucke O, Kawai SH, Lemke CT, Mason SW, Simoneau B, Surprenant S, Titolo S, Yoakim C.: Inhibition of HIV-1 capsid assembly: optimization of the antiviral potency by site selective modifications at N1, C2 and C16 of a 5-(5-furan-2-yl-pyrazol-1-yl)-1H-benzimidazole scaffold. Bioorg Med Chem Lett, Volume 22 (24), 2012 Bioorg Med Chem Lett 2012 23122820
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Tripathi PN, Srivastava P, Sharma P, Seth A, Shrivastava SK.
Tripathi PN, Srivastava P, Sharma P, Seth A, Shrivastava SK.
Design and development of novel N-(pyrimidin-2-yl)-1,3,4-oxadiazole hybrids to treat cognitive dysfunctions. Tripathi PN, Srivastava P, Sharma P, Seth A, Shrivastava SK.: Design and development of novel N-(pyrimidin-2-yl)-1,3,4-oxadiazole hybrids to treat cognitive dysfunctions. Bioorg Med Chem, Volume 27 (7), 2019 Bioorg Med Chem 2019 30795991
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Trout RE, Zulli A, Mesaros E, Jackson RW, Boyd S, Liu B,...
Trout RE, Zulli A, Mesaros E, Jackson RW, Boyd S, Liu B, Hamrick J, Daigle D, Chatwin CL, John K, McLaughlin L, Cusick SM, Weiss WJ, Pulse ME, Pevear DC, Moeck G, Xerri L, Burns CJ.
Discovery of VNRX-7145 (VNRX-5236 Etzadroxil): An Orally Bioavailable β-Lactamase Inhibitor for Enterobacterales... Trout RE, Zulli A, Mesaros E, Jackson RW, Boyd S, Liu B, Hamrick J, Daigle D, Chatwin CL, John K, McLaughlin L, Cusick SM, Weiss WJ, Pulse ME, Pevear DC, Moeck G, Xerri L, Burns CJ.: Discovery of VNRX-7145 (VNRX-5236 Etzadroxil): An Orally Bioavailable β-Lactamase Inhibitor for Enterobacterales Expressing Ambler Class A, C, and D Enzymes. J Med Chem, Volume 64 (14), 2021 J Med Chem 2021 34191513
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Trujillo JI, Huang W, Hughes RO, Rogier DJ, Turner SR,...
Trujillo JI, Huang W, Hughes RO, Rogier DJ, Turner SR, Devraj R, Morton PA, Xue CB, Chao G, Covington MB, Newton RC, Metcalf B.
Design and synthesis of novel CCR2 antagonists: investigation of non-aryl/heteroaryl binding motifs. Trujillo JI, Huang W, Hughes RO, Rogier DJ, Turner SR, Devraj R, Morton PA, Xue CB, Chao G, Covington MB, Newton RC, Metcalf B.: Design and synthesis of novel CCR2 antagonists: investigation of non-aryl/heteroaryl binding motifs. Bioorg Med Chem Lett, Volume 21 (6), 2011 Bioorg Med Chem Lett 2011 21316220
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Truong AP, Aubele DL, Probst GD, Neitzel ML, Semko CM,...
Truong AP, Aubele DL, Probst GD, Neitzel ML, Semko CM, Bowers S, Dressen D, Hom RK, Konradi AW, Sham HL, Garofalo AW, Keim PS, Wu J, Dappen MS, Wong K, Goldbach E, Quinn KP, Sauer JM, Brigham EF, Wallace W, Nguyen L, Hemphill SS, Bova MP, Bard F, Yednock TA, Basi G.
Design, synthesis, and structure-activity relationship of novel orally efficacious pyrazole/sulfonamide based... Truong AP, Aubele DL, Probst GD, Neitzel ML, Semko CM, Bowers S, Dressen D, Hom RK, Konradi AW, Sham HL, Garofalo AW, Keim PS, Wu J, Dappen MS, Wong K, Goldbach E, Quinn KP, Sauer JM, Brigham EF, Wallace W, Nguyen L, Hemphill SS, Bova MP, Bard F, Yednock TA, Basi G.: Design, synthesis, and structure-activity relationship of novel orally efficacious pyrazole/sulfonamide based dihydroquinoline gamma-secretase inhibitors. Bioorg Med Chem Lett, Volume 19 (17), 2009 Bioorg Med Chem Lett 2009 19660943
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Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy...
Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.
Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2'... Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010 Bioorg Med Chem Lett 2010 20634069
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Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW,...
Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.
Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010 Bioorg Med Chem Lett 2010 20833041
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Tsagris DJ, Birchall K, Bouloc N, Large JM, Merritt A,...
Tsagris DJ, Birchall K, Bouloc N, Large JM, Merritt A, Smiljanic-Hurley E, Wheldon M, Ansell KH, Kettleborough C, Whalley D, Stewart LB, Bowyer PW, Baker DA, Osborne SA.
Trisubstituted thiazoles as potent and selective inhibitors of Plasmodium falciparum protein kinase G (PfPKG). Tsagris DJ, Birchall K, Bouloc N, Large JM, Merritt A, Smiljanic-Hurley E, Wheldon M, Ansell KH, Kettleborough C, Whalley D, Stewart LB, Bowyer PW, Baker DA, Osborne SA.: Trisubstituted thiazoles as potent and selective inhibitors of Plasmodium falciparum protein kinase G (PfPKG). Bioorg Med Chem Lett, Volume 28 (19), 2018 Bioorg Med Chem Lett 2018 30174152
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Tsang JE, Urner LM, Kim G, Chow K, Baufeld L, Faull K,...
Tsang JE, Urner LM, Kim G, Chow K, Baufeld L, Faull K, Cloughesy TF, Clark PM, Jung ME, Nathanson DA.
Development of a Potent Brain-Penetrant EGFR Tyrosine Kinase Inhibitor against Malignant Brain Tumors. Tsang JE, Urner LM, Kim G, Chow K, Baufeld L, Faull K, Cloughesy TF, Clark PM, Jung ME, Nathanson DA.: Development of a Potent Brain-Penetrant EGFR Tyrosine Kinase Inhibitor against Malignant Brain Tumors. ACS Med Chem Lett, Volume 11 (10), 2020 ACS Med Chem Lett 2020 33062157
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Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.
Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.
Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a... Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.: Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane. J Chem Theory Comput, Volume 15 (5), 2913-2924, 2019 J Chem Theory Comput 2019 30998342
Total substances: 1
Total passive interactions: 7
Total active interactions: 0
Tsinman O, Tsinman K, Sun N, Avdeef A.
Tsinman O, Tsinman K, Sun N, Avdeef A.
Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain... Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011 Pharm Res 2011 20945153
Total substances: 108
Total passive interactions: 108
Total active interactions: 0
Tsuda M, Terada T, Ueba M, Sato T, Masuda S, Katsura T,...
Tsuda M, Terada T, Ueba M, Sato T, Masuda S, Katsura T, Inui K.
Involvement of human multidrug and toxin extrusion 1 in the drug interaction between cimetidine and metformin in renal... Tsuda M, Terada T, Ueba M, Sato T, Masuda S, Katsura T, Inui K.: Involvement of human multidrug and toxin extrusion 1 in the drug interaction between cimetidine and metformin in renal epithelial cells. J Pharmacol Exp Ther, Volume 329 (1), 2009 J Pharmacol Exp Ther 2009 19164462
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tsuda-Tsukimoto M, Maeda T, Iwanaga T, Kume T, Tamai I.
Tsuda-Tsukimoto M, Maeda T, Iwanaga T, Kume T, Tamai I.
Characterization of hepatobiliary transport systems of a novel alpha4beta1/alpha4beta7 dual antagonist, TR-14035. Tsuda-Tsukimoto M, Maeda T, Iwanaga T, Kume T, Tamai I.: Characterization of hepatobiliary transport systems of a novel alpha4beta1/alpha4beta7 dual antagonist, TR-14035. Pharm Res, Volume 23 (11), 2006 Pharm Res 2006 16969695
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tsuhako AL, Brown DS, Koltun ES, Aay N, Arcalas A, Chan V,...
Tsuhako AL, Brown DS, Koltun ES, Aay N, Arcalas A, Chan V, Du H, Engst S, Franzini M, Galan A, Huang P, Johnston S, Kane B, Kim MH, Laird AD, Lin R, Mock L, Ngan I, Pack M, Stott G, Stout TJ, Yu P, Zaharia C, Zhang W, Zhou P, Nuss JM, Kearney PC, Xu W.
The design, synthesis, and biological evaluation of PIM kinase inhibitors. Tsuhako AL, Brown DS, Koltun ES, Aay N, Arcalas A, Chan V, Du H, Engst S, Franzini M, Galan A, Huang P, Johnston S, Kane B, Kim MH, Laird AD, Lin R, Mock L, Ngan I, Pack M, Stott G, Stout TJ, Yu P, Zaharia C, Zhang W, Zhou P, Nuss JM, Kearney PC, Xu W.: The design, synthesis, and biological evaluation of PIM kinase inhibitors. Bioorg Med Chem Lett, Volume 22 (11), 2012 Bioorg Med Chem Lett 2012 22542012
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Tu J, Li Z, Jiang Y, Ji C, Han G, Wang Y, Liu N, Sheng C.
Tu J, Li Z, Jiang Y, Ji C, Han G, Wang Y, Liu N, Sheng C.
Discovery of Carboline Derivatives as Potent Antifungal Agents for the Treatment of Cryptococcal Meningitis. Tu J, Li Z, Jiang Y, Ji C, Han G, Wang Y, Liu N, Sheng C.: Discovery of Carboline Derivatives as Potent Antifungal Agents for the Treatment of Cryptococcal Meningitis. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30753074
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Tuccinardi T, Granchi C, Iegre J, Paterni I, Bertini S,...
Tuccinardi T, Granchi C, Iegre J, Paterni I, Bertini S, Macchia M, Martinelli A, Qian Y, Chen X, Minutolo F.
Oxime-based inhibitors of glucose transporter 1 displaying antiproliferative effects in cancer cells. Tuccinardi T, Granchi C, Iegre J, Paterni I, Bertini S, Macchia M, Martinelli A, Qian Y, Chen X, Minutolo F.: Oxime-based inhibitors of glucose transporter 1 displaying antiproliferative effects in cancer cells. Bioorg Med Chem Lett, Volume 23 (24), 2013 Bioorg Med Chem Lett 2013 24200808
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Tucker JA, Allwine DA, Grega KC, Barbachyn MR, Klock JL,...
Tucker JA, Allwine DA, Grega KC, Barbachyn MR, Klock JL, Adamski JL, Brickner SJ, Hutchinson DK, Ford CW, Zurenko GE, Conradi RA, Burton PS, Jensen RM.
Piperazinyl oxazolidinone antibacterial agents containing a pyridine, diazene, or triazene heteroaromatic ring. Tucker JA, Allwine DA, Grega KC, Barbachyn MR, Klock JL, Adamski JL, Brickner SJ, Hutchinson DK, Ford CW, Zurenko GE, Conradi RA, Burton PS, Jensen RM.: Piperazinyl oxazolidinone antibacterial agents containing a pyridine, diazene, or triazene heteroaromatic ring. J Med Chem, Volume 41 (19), 1998 J Med Chem 1998 9733498
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Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang...
Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.
5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009 Bioorg Med Chem 2009 19884013
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Turdi H, Chao H, Hangeland JJ, Ahmad S, Meng W, Brigance R,...
Turdi H, Chao H, Hangeland JJ, Ahmad S, Meng W, Brigance R, Zhao G, Wang W, Moore F, Ye XY, Mathur A, Hou X, Kempson J, Wu DR, Li YX, Azzara AV, Ma Z, Chu CH, Chen L, Cullen MJ, Rooney S, Harvey S, Kopcho L, Panemangelor R, Abell L, O'Malley K, Keim WJ, Dierks E, Chang S, Foster K, Apedo A, Harden D, Dabros M, Gao Q, Pelleymounter MA, Whaley JM, Robl JA, Cheng D, Lawrence RM, Devasthale P.
Screening Hit to Clinical Candidate: Discovery of BMS-963272, a Potent, Selective MGAT2 Inhibitor for the Treatment of... Turdi H, Chao H, Hangeland JJ, Ahmad S, Meng W, Brigance R, Zhao G, Wang W, Moore F, Ye XY, Mathur A, Hou X, Kempson J, Wu DR, Li YX, Azzara AV, Ma Z, Chu CH, Chen L, Cullen MJ, Rooney S, Harvey S, Kopcho L, Panemangelor R, Abell L, O'Malley K, Keim WJ, Dierks E, Chang S, Foster K, Apedo A, Harden D, Dabros M, Gao Q, Pelleymounter MA, Whaley JM, Robl JA, Cheng D, Lawrence RM, Devasthale P.: Screening Hit to Clinical Candidate: Discovery of BMS-963272, a Potent, Selective MGAT2 Inhibitor for the Treatment of Metabolic Disorders. J Med Chem, Volume 64 (19), 2021 J Med Chem 2021 34613725
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Turgutalp B, Bhattarai P, Ercetin T, Luise C, Reis R,...
Turgutalp B, Bhattarai P, Ercetin T, Luise C, Reis R, Gurdal EE, Isaak A, Biriken D, Dinter E, Sipahi H, Schepmann D, Junker A, Wünsch B, Sippl W, Gulcan HO, Kizil C, Yarim M.
Discovery of Potent Cholinesterase Inhibition-Based Multi-Target-Directed Lead Compounds for Synaptoprotection in... Turgutalp B, Bhattarai P, Ercetin T, Luise C, Reis R, Gurdal EE, Isaak A, Biriken D, Dinter E, Sipahi H, Schepmann D, Junker A, Wünsch B, Sippl W, Gulcan HO, Kizil C, Yarim M.: Discovery of Potent Cholinesterase Inhibition-Based Multi-Target-Directed Lead Compounds for Synaptoprotection in Alzheimer's Disease. J Med Chem, Volume 65 (18), 2022 J Med Chem 2022 36084304
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Tye H, Mueller SG, Prestle J, Scheuerer S, Schindler M,...
Tye H, Mueller SG, Prestle J, Scheuerer S, Schindler M, Nosse B, Prevost N, Brown CJ, Heifetz A, Moeller C, Pedret-Dunn A, Whittaker M.
Novel 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene analogues as potent and selective 5-HT(2C) agonists... Tye H, Mueller SG, Prestle J, Scheuerer S, Schindler M, Nosse B, Prevost N, Brown CJ, Heifetz A, Moeller C, Pedret-Dunn A, Whittaker M.: Novel 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene analogues as potent and selective 5-HT(2C) agonists for the treatment of metabolic disorders. Bioorg Med Chem Lett, Volume 21 (1), 2011 Bioorg Med Chem Lett 2011 21146986
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Tzvetkov MV, Saadatmand AR, Bokelmann K, Meineke I, Kaiser...
Tzvetkov MV, Saadatmand AR, Bokelmann K, Meineke I, Kaiser R, Brockmöller J.
Effects of OCT1 polymorphisms on the cellular uptake, plasma concentrations and efficacy of the 5-HT(3) antagonists... Tzvetkov MV, Saadatmand AR, Bokelmann K, Meineke I, Kaiser R, Brockmöller J.: Effects of OCT1 polymorphisms on the cellular uptake, plasma concentrations and efficacy of the 5-HT(3) antagonists tropisetron and ondansetron. Pharmacogenomics J, Volume 12 (1), 2012 Pharmacogenomics J 2012 20921968
Total substances: 1
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Total active interactions: 1
Tzvetkov MV, Saadatmand AR, Lötsch J, Tegeder I, Stingl...
Tzvetkov MV, Saadatmand AR, Lötsch J, Tegeder I, Stingl JC, Brockmöller J.
Genetically polymorphic OCT1: another piece in the puzzle of the variable pharmacokinetics and pharmacodynamics of the... Tzvetkov MV, Saadatmand AR, Lötsch J, Tegeder I, Stingl JC, Brockmöller J.: Genetically polymorphic OCT1: another piece in the puzzle of the variable pharmacokinetics and pharmacodynamics of the opioidergic drug tramadol. Clin Pharmacol Ther, Volume 90 (1), 2011 Clin Pharmacol Ther 2011 21562485
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Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L,...
Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.
Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides... Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017 Eur J Med Chem 2017 28107736
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Uddin MK, Reignier SG, Coulter T, Montalbetti C, Grånäs...
Uddin MK, Reignier SG, Coulter T, Montalbetti C, Grånäs C, Butcher S, Krog-Jensen C, Felding J.
Syntheses and antiproliferative evaluation of oxyphenisatin derivatives. Uddin MK, Reignier SG, Coulter T, Montalbetti C, Grånäs C, Butcher S, Krog-Jensen C, Felding J.: Syntheses and antiproliferative evaluation of oxyphenisatin derivatives. Bioorg Med Chem Lett, Volume 17 (10), 2007 Bioorg Med Chem Lett 2007 17368900
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Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R,...
Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.
Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of... Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009 Bioorg Med Chem Lett 2009 19013793
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Ugele B, Bahn A, Rex-Haffner M.
Ugele B, Bahn A, Rex-Haffner M.
Functional differences in steroid sulfate uptake of organic anion transporter 4 (OAT4) and organic anion transporting... Ugele B, Bahn A, Rex-Haffner M.: Functional differences in steroid sulfate uptake of organic anion transporter 4 (OAT4) and organic anion transporting polypeptide 2B1 (OATP2B1) in human placenta. J Steroid Biochem Mol Biol, Volume 111 (1-2), 2008 J Steroid Biochem Mol Biol 2008 18501590
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Total active interactions: 1
Ulven T, Receveur JM, Grimstrup M, Rist Ø, Frimurer TM,...
Ulven T, Receveur JM, Grimstrup M, Rist Ø, Frimurer TM, Gerlach LO, Mathiesen JM, Kostenis E, Uller L, Högberg T.
Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits. Ulven T, Receveur JM, Grimstrup M, Rist Ø, Frimurer TM, Gerlach LO, Mathiesen JM, Kostenis E, Uller L, Högberg T.: Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits. J Med Chem, Volume 49 (23), 2006 J Med Chem 2006 17154491
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Ulvestad M, Björquist P, Molden E, Asberg A, Andersson TB.
Ulvestad M, Björquist P, Molden E, Asberg A, Andersson TB.
OATP1B1/1B3 activity in plated primary human hepatocytes over time in culture. Ulvestad M, Björquist P, Molden E, Asberg A, Andersson TB.: OATP1B1/1B3 activity in plated primary human hepatocytes over time in culture. Biochem Pharmacol, Volume 82 (9), 2011 Biochem Pharmacol 2011 21787759
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Umehara K, Iwai M, Adachi Y, Iwatsubo T, Usui T, Kamimura H.
Umehara K, Iwai M, Adachi Y, Iwatsubo T, Usui T, Kamimura H.
Hepatic uptake and excretion of... Umehara K, Iwai M, Adachi Y, Iwatsubo T, Usui T, Kamimura H.: Hepatic uptake and excretion of (-)-N-{2-[(R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidino]ethyl}-4-fluorobenzamide (YM758), a novel if channel inhibitor, in rats and humans. Drug Metab Dispos, Volume 36 (6), 2008 Drug Metab Dispos 2008 18332079
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Total passive interactions: 0
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Urakami Y, Akazawa M, Saito H, Okuda M, Inui K.
Urakami Y, Akazawa M, Saito H, Okuda M, Inui K.
cDNA cloning, functional characterization, and tissue distribution of an alternatively spliced variant of organic... Urakami Y, Akazawa M, Saito H, Okuda M, Inui K.: cDNA cloning, functional characterization, and tissue distribution of an alternatively spliced variant of organic cation transporter hOCT2 predominantly expressed in the human kidney. J Am Soc Nephrol, Volume 13 (7), 2002 J Am Soc Nephrol 2002 12089365
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Urbanek RA, Xiong H, Wu Y, Blackwell W, Steelman G,...
Urbanek RA, Xiong H, Wu Y, Blackwell W, Steelman G, Rosamond J, Wesolowski SS, Campbell JB, Zhang M, Brockel B, Widzowski DV.
Synthesis and SAR of aminothiazole fused benzazepines as selective dopamine D2 partial agonists. Urbanek RA, Xiong H, Wu Y, Blackwell W, Steelman G, Rosamond J, Wesolowski SS, Campbell JB, Zhang M, Brockel B, Widzowski DV.: Synthesis and SAR of aminothiazole fused benzazepines as selective dopamine D2 partial agonists. Bioorg Med Chem Lett, Volume 23 (2), 2013 Bioorg Med Chem Lett 2013 23237836
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Uruno Y, Konishi Y, Suwa A, Takai K, Tojo K, Nakako T,...
Uruno Y, Konishi Y, Suwa A, Takai K, Tojo K, Nakako T, Sakai M, Enomoto T, Matsuda H, Kitamura A, Sumiyoshi T.
Discovery of dihydroquinazolinone derivatives as potent, selective, and CNS-penetrant M(1) and M(4) muscarinic... Uruno Y, Konishi Y, Suwa A, Takai K, Tojo K, Nakako T, Sakai M, Enomoto T, Matsuda H, Kitamura A, Sumiyoshi T.: Discovery of dihydroquinazolinone derivatives as potent, selective, and CNS-penetrant M(1) and M(4) muscarinic acetylcholine receptors agonists. Bioorg Med Chem Lett, Volume 25 (22), 2015 Bioorg Med Chem Lett 2015 26428869
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Anne Valade, Sophie Binet Cross, Claire Brown, Eric...
Anne Valade, Sophie Binet Cross, Claire Brown, Eric Detrait, Doina Ene, Michel Gillard, Michel Guyaux, Yves Lamberty, Martin Maguire, Nivedita Namdev, Laurent Provins, Eric Schwartz, Céline Vermeiren
Discovery of novel selective Sigma-1 ligands as cognitive enhancers Valade A et al. Med. Chem. Commun., 2011,2, 655-660 MedChemComm 2011 10.1039/C1MD000...
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Van der Plas SE, Kelgtermans H, De Munck T, Martina SLX,...
Van der Plas SE, Kelgtermans H, De Munck T, Martina SLX, Dropsit S, Quinton E, De Blieck A, Joannesse C, Tomaskovic L, Jans M, Christophe T, van der Aar E, Borgonovi M, Nelles L, Gees M, Stouten P, Van Der Schueren J, Mammoliti O, Conrath K, Andrews M.
Discovery of N-(3-Carbamoyl-5,5,7,7-tetramethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-lH-pyrazole-5-carboxamide... Van der Plas SE, Kelgtermans H, De Munck T, Martina SLX, Dropsit S, Quinton E, De Blieck A, Joannesse C, Tomaskovic L, Jans M, Christophe T, van der Aar E, Borgonovi M, Nelles L, Gees M, Stouten P, Van Der Schueren J, Mammoliti O, Conrath K, Andrews M.: Discovery of N-(3-Carbamoyl-5,5,7,7-tetramethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-lH-pyrazole-5-carboxamide (GLPG1837), a Novel Potentiator Which Can Open Class III Mutant Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Channels to a High Extent. J Med Chem, Volume 61 (4), 2018 J Med Chem 2018 29148763
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Van der Plas SE, Kelgtermans H, Mammoliti O, Menet C,...
Van der Plas SE, Kelgtermans H, Mammoliti O, Menet C, Tricarico G, De Blieck A, Joannesse C, De Munck T, Lambin D, Cowart M, Dropsit S, Martina SLX, Gees M, Wesse AS, Conrath K, Andrews M.
Discovery of GLPG2451, a Novel Once Daily Potentiator for the Treatment of Cystic Fibrosis. Van der Plas SE, Kelgtermans H, Mammoliti O, Menet C, Tricarico G, De Blieck A, Joannesse C, De Munck T, Lambin D, Cowart M, Dropsit S, Martina SLX, Gees M, Wesse AS, Conrath K, Andrews M.: Discovery of GLPG2451, a Novel Once Daily Potentiator for the Treatment of Cystic Fibrosis. J Med Chem, Volume 64 (1), 2021 J Med Chem 2021 33399458
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van der Stelt M, Cals J, Broeders-Josten S, Cottney J, van...
van der Stelt M, Cals J, Broeders-Josten S, Cottney J, van der Doelen AA, Hermkens M, de Kimpe V, King A, Klomp J, Oosterom J, Pols-de Rooij I, de Roos J, van Tilborg M, Boyce S, Baker J.
Discovery and optimization of 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives as a novel class of... van der Stelt M, Cals J, Broeders-Josten S, Cottney J, van der Doelen AA, Hermkens M, de Kimpe V, King A, Klomp J, Oosterom J, Pols-de Rooij I, de Roos J, van Tilborg M, Boyce S, Baker J.: Discovery and optimization of 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives as a novel class of selective cannabinoid CB2 receptor agonists. J Med Chem, Volume 54 (20), 2011 J Med Chem 2011 21923175
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van der Westhuyzen R, Winks S, Wilson CR, Boyle GA, Gessner...
van der Westhuyzen R, Winks S, Wilson CR, Boyle GA, Gessner RK, Soares de Melo C, Taylor D, de Kock C, Njoroge M, Brunschwig C, Lawrence N, Rao SP, Sirgel F, van Helden P, Seldon R, Moosa A, Warner DF, Arista L, Manjunatha UH, Smith PW, Street LJ, Chibale K.
Pyrrolo[3,4-c]pyridine-1,3(2H)-diones: A Novel Antimycobacterial Class Targeting Mycobacterial Respiration. van der Westhuyzen R, Winks S, Wilson CR, Boyle GA, Gessner RK, Soares de Melo C, Taylor D, de Kock C, Njoroge M, Brunschwig C, Lawrence N, Rao SP, Sirgel F, van Helden P, Seldon R, Moosa A, Warner DF, Arista L, Manjunatha UH, Smith PW, Street LJ, Chibale K.: Pyrrolo[3,4-c]pyridine-1,3(2H)-diones: A Novel Antimycobacterial Class Targeting Mycobacterial Respiration. J Med Chem, Volume 58 (23), 2015 J Med Chem 2015 26551248
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Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.
Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.
Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014 J Med Chem 2014 24625106
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Van Horn KS, Zhu X, Pandharkar T, Yang S, Vesely B,...
Van Horn KS, Zhu X, Pandharkar T, Yang S, Vesely B, Vanaerschot M, Dujardin JC, Rijal S, Kyle DE, Wang MZ, Werbovetz KA, Manetsch R.
Antileishmanial activity of a series of N²,N⁴-disubstituted quinazoline-2,4-diamines. Van Horn KS, Zhu X, Pandharkar T, Yang S, Vesely B, Vanaerschot M, Dujardin JC, Rijal S, Kyle DE, Wang MZ, Werbovetz KA, Manetsch R.: Antileishmanial activity of a series of N²,N⁴-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (12), 2014 J Med Chem 2014 24874647
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Van Orden LJ, Van Dyke PM, Saito DR, Church TJ, Chang R,...
Van Orden LJ, Van Dyke PM, Saito DR, Church TJ, Chang R, Smith JA, Martin WJ, Jaw-Tsai S, Stangeland EL.
A novel class of 3-(phenoxy-phenyl-methyl)-pyrrolidines as potent and balanced norepinephrine and serotonin reuptake... Van Orden LJ, Van Dyke PM, Saito DR, Church TJ, Chang R, Smith JA, Martin WJ, Jaw-Tsai S, Stangeland EL.: A novel class of 3-(phenoxy-phenyl-methyl)-pyrrolidines as potent and balanced norepinephrine and serotonin reuptake inhibitors: synthesis and structure-activity relationships. Bioorg Med Chem Lett, Volume 23 (5), 2013 Bioorg Med Chem Lett 2013 23347683
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C,...
Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.
Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein... Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007 Antimicrob Agents Chemother 2007 17606674
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Vanda D, Canale V, Chaumont-Dubel S, Kurczab R, Satała G,...
Vanda D, Canale V, Chaumont-Dubel S, Kurczab R, Satała G, Koczurkiewicz-Adamczyk P, Krawczyk M, Pietruś W, Blicharz K, Pękala E, Bojarski AJ, Popik P, Marin P, Soural M, Zajdel P.
Imidazopyridine-Based 5-HT6 Receptor Neutral Antagonists: Impact of N1-Benzyl and... Vanda D, Canale V, Chaumont-Dubel S, Kurczab R, Satała G, Koczurkiewicz-Adamczyk P, Krawczyk M, Pietruś W, Blicharz K, Pękala E, Bojarski AJ, Popik P, Marin P, Soural M, Zajdel P.: Imidazopyridine-Based 5-HT6 Receptor Neutral Antagonists: Impact of N1-Benzyl and N1-Phenylsulfonyl Fragments on Different Receptor Conformational States. J Med Chem, Volume 64 (2), 2021 J Med Chem 2021 33439019
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Varamini P, Hussein WM, Mansfeld FM, Toth I.
Varamini P, Hussein WM, Mansfeld FM, Toth I.
Synthesis, biological activity and structure-activity relationship of endomorphin-1/substance P derivatives. Varamini P, Hussein WM, Mansfeld FM, Toth I.: Synthesis, biological activity and structure-activity relationship of endomorphin-1/substance P derivatives. Bioorg Med Chem, Volume 20 (21), 2012 Bioorg Med Chem 2012 23022277
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Varamini P, Mansfeld FM, Blanchfield JT, Wyse BD, Smith MT,...
Varamini P, Mansfeld FM, Blanchfield JT, Wyse BD, Smith MT, Toth I.
Synthesis and biological evaluation of an orally active glycosylated endomorphin-1. Varamini P, Mansfeld FM, Blanchfield JT, Wyse BD, Smith MT, Toth I.: Synthesis and biological evaluation of an orally active glycosylated endomorphin-1. J Med Chem, Volume 55 (12), 2012 J Med Chem 2012 22680612
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Varnes JG, Wacker DA, Jacobson IC, Quan ML, Ellis CD, Rossi...
Varnes JG, Wacker DA, Jacobson IC, Quan ML, Ellis CD, Rossi KA, He MY, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.
Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors. Varnes JG, Wacker DA, Jacobson IC, Quan ML, Ellis CD, Rossi KA, He MY, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors. Bioorg Med Chem Lett, Volume 17 (23), 2007 Bioorg Med Chem Lett 2007 17933529
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Varnes JG, Wacker DA, Pinto DJ, Orwat MJ, Theroff JP, Wells...
Varnes JG, Wacker DA, Pinto DJ, Orwat MJ, Theroff JP, Wells B, Galemo RA, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.
Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Varnes JG, Wacker DA, Pinto DJ, Orwat MJ, Theroff JP, Wells B, Galemo RA, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Bioorg Med Chem Lett, Volume 18 (2), 2008 Bioorg Med Chem Lett 2008 18054227
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Vasas A, Forgo P, Orvos P, Tálosi L, Csorba A, Pinke G,...
Vasas A, Forgo P, Orvos P, Tálosi L, Csorba A, Pinke G, Hohmann J.
Myrsinane, Premyrsinane, and Cyclomyrsinane Diterpenes from Euphorbia falcata as Potassium Ion Channel Inhibitors with... Vasas A, Forgo P, Orvos P, Tálosi L, Csorba A, Pinke G, Hohmann J.: Myrsinane, Premyrsinane, and Cyclomyrsinane Diterpenes from Euphorbia falcata as Potassium Ion Channel Inhibitors with Selective G Protein-Activated Inwardly Rectifying Ion Channel (GIRK) Blocking Effects. J Nat Prod, Volume 79 (8), 2016 J Nat Prod 2016 27441737
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Vavricka SR, Van Montfoort J, Ha HR, Meier PJ, Fattinger K.
Vavricka SR, Van Montfoort J, Ha HR, Meier PJ, Fattinger K.
Interactions of rifamycin SV and rifampicin with organic anion uptake systems of human liver. Vavricka SR, Van Montfoort J, Ha HR, Meier PJ, Fattinger K.: Interactions of rifamycin SV and rifampicin with organic anion uptake systems of human liver. Hepatology, Volume 36 (1), 2002 Hepatology 2002 12085361
Total substances: 5
Total passive interactions: 0
Total active interactions: 10
Veenstra SJ, Rueeger H, Voegtle M, Lueoend R, Holzer P,...
Veenstra SJ, Rueeger H, Voegtle M, Lueoend R, Holzer P, Hurth K, Tintelnot-Blomley M, Frederiksen M, Rondeau JM, Jacobson L, Staufenbiel M, Neumann U, Machauer R.
Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors. Veenstra SJ, Rueeger H, Voegtle M, Lueoend R, Holzer P, Hurth K, Tintelnot-Blomley M, Frederiksen M, Rondeau JM, Jacobson L, Staufenbiel M, Neumann U, Machauer R.: Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors. Bioorg Med Chem Lett, Volume 28 (12), 2018 Bioorg Med Chem Lett 2018 29764741
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Veerman JJN, Bruseker YB, Damen E, Heijne EH, van Bruggen...
Veerman JJN, Bruseker YB, Damen E, Heijne EH, van Bruggen W, Hekking KFW, Winkel R, Hupp CD, Keefe AD, Liu J, Thomson HA, Zhang Y, Cuozzo JW, McRiner AJ, Mulvihill MJ, van Rijnsbergen P, Zech B, Renzetti LM, Babiss L, Müller G.
Discovery of 2,4-1H-Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Veerman JJN, Bruseker YB, Damen E, Heijne EH, van Bruggen W, Hekking KFW, Winkel R, Hupp CD, Keefe AD, Liu J, Thomson HA, Zhang Y, Cuozzo JW, McRiner AJ, Mulvihill MJ, van Rijnsbergen P, Zech B, Renzetti LM, Babiss L, Müller G.: Discovery of 2,4-1H-Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. ACS Med Chem Lett, Volume 12 (4), 2021 ACS Med Chem Lett 2021 33859795
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Veinberg G, Vorona M, Zvejniece L, Vilskersts R, Vavers E,...
Veinberg G, Vorona M, Zvejniece L, Vilskersts R, Vavers E, Liepinsh E, Kazoka H, Belyakov S, Mishnev A, Kuznecovs J, Vikainis S, Orlova N, Lebedev A, Ponomaryov Y, Dambrova M.
Synthesis and biological evaluation of 2-(5-methyl-4-phenyl-2-oxopyrrolidin-1-yl)-acetamide stereoisomers as novel... Veinberg G, Vorona M, Zvejniece L, Vilskersts R, Vavers E, Liepinsh E, Kazoka H, Belyakov S, Mishnev A, Kuznecovs J, Vikainis S, Orlova N, Lebedev A, Ponomaryov Y, Dambrova M.: Synthesis and biological evaluation of 2-(5-methyl-4-phenyl-2-oxopyrrolidin-1-yl)-acetamide stereoisomers as novel positive allosteric modulators of sigma-1 receptor. Bioorg Med Chem, Volume 21 (10), 2013 Bioorg Med Chem 2013 23582449
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Velaparthi U, Darne CP, Warrier J, Liu P, Rahaman H,...
Velaparthi U, Darne CP, Warrier J, Liu P, Rahaman H, Augustine-Rauch K, Parrish K, Yang Z, Swanson J, Brown J, Dhar G, Anandam A, Holenarsipur VK, Palanisamy K, Wautlet BS, Fereshteh MP, Lippy J, Tebben AJ, Sheriff S, Ruzanov M, Yan C, Gupta A, Gupta AK, Vetrichelvan M, Mathur A, Gelman M, Singh R, Kinsella T, Murtaza A, Fargnoli J, Vite G, Borzilleri RM.
Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGFβR1 Inhibitor as an Immuno-oncology Agent. Velaparthi U, Darne CP, Warrier J, Liu P, Rahaman H, Augustine-Rauch K, Parrish K, Yang Z, Swanson J, Brown J, Dhar G, Anandam A, Holenarsipur VK, Palanisamy K, Wautlet BS, Fereshteh MP, Lippy J, Tebben AJ, Sheriff S, Ruzanov M, Yan C, Gupta A, Gupta AK, Vetrichelvan M, Mathur A, Gelman M, Singh R, Kinsella T, Murtaza A, Fargnoli J, Vite G, Borzilleri RM.: Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGFβR1 Inhibitor as an Immuno-oncology Agent. ACS Med Chem Lett, Volume 11 (2), 2020 ACS Med Chem Lett 2020 32071685
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Velaparthi U, Wittman M, Liu P, Carboni JM, Lee FY, Attar...
Velaparthi U, Wittman M, Liu P, Carboni JM, Lee FY, Attar R, Balimane P, Clarke W, Sinz MW, Hurlburt W, Patel K, Discenza L, Kim S, Gottardis M, Greer A, Li A, Saulnier M, Yang Z, Zimmermann K, Trainor G, Vyas D.
Discovery and evaluation of... Velaparthi U, Wittman M, Liu P, Carboni JM, Lee FY, Attar R, Balimane P, Clarke W, Sinz MW, Hurlburt W, Patel K, Discenza L, Kim S, Gottardis M, Greer A, Li A, Saulnier M, Yang Z, Zimmermann K, Trainor G, Vyas D.: Discovery and evaluation of 4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (BMS-695735), an orally efficacious inhibitor of insulin-like growth factor-1 receptor kinase with broad spectrum in vivo antitumor activity. J Med Chem, Volume 51 (19), 2008 J Med Chem 2008 18763755
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Velcicky J, Feifel R, Hawtin S, Heng R, Huppertz C, Koch G,...
Velcicky J, Feifel R, Hawtin S, Heng R, Huppertz C, Koch G, Kroemer M, Moebitz H, Revesz L, Scheufler C, Schlapbach A.
Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy. Velcicky J, Feifel R, Hawtin S, Heng R, Huppertz C, Koch G, Kroemer M, Moebitz H, Revesz L, Scheufler C, Schlapbach A.: Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy. Bioorg Med Chem Lett, Volume 20 (3), 2010 Bioorg Med Chem Lett 2010 20060294
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Velcicky J, Schlapbach A, Heng R, Revesz L, Pflieger D,...
Velcicky J, Schlapbach A, Heng R, Revesz L, Pflieger D, Blum E, Hawtin S, Huppertz C, Feifel R, Hersperger R.
Modulating ADME Properties by Fluorination: MK2 Inhibitors with Improved Oral Exposure. Velcicky J, Schlapbach A, Heng R, Revesz L, Pflieger D, Blum E, Hawtin S, Huppertz C, Feifel R, Hersperger R.: Modulating ADME Properties by Fluorination: MK2 Inhibitors with Improved Oral Exposure. ACS Med Chem Lett, Volume 9 (4), 2018 ACS Med Chem Lett 2018 29670707
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Velcicky J, Wilcken R, Cotesta S, Janser P, Schlapbach A,...
Velcicky J, Wilcken R, Cotesta S, Janser P, Schlapbach A, Wagner T, Piechon P, Villard F, Bouhelal R, Piller F, Harlfinger S, Stringer R, Fehlmann D, Kaupmann K, Littlewood-Evans A, Haffke M, Gommermann N.
Discovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the... Velcicky J, Wilcken R, Cotesta S, Janser P, Schlapbach A, Wagner T, Piechon P, Villard F, Bouhelal R, Piller F, Harlfinger S, Stringer R, Fehlmann D, Kaupmann K, Littlewood-Evans A, Haffke M, Gommermann N.: Discovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the Improvement of Oral Exposure. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32856916
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Velický M, Tam KY, Dryfe RA.
Velický M, Tam KY, Dryfe RA.
In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability... Velický M, Tam KY, Dryfe RA.: In situ artificial membrane permeation assay under hydrodynamic control: correlation between drug in vitro permeability and fraction absorbed in humans. Eur J Pharm Sci, Volume 44 (3), 299-309, 2011 Eur J Pharm Sci 2011 21864679
Total substances: 31
Total passive interactions: 31
Total active interactions: 0
Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D,...
Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D, Classon B, Ayesa S, Ivanov V, Johansson PO, Kahnberg P, Eneroth A, Wikstrom K, Vrang L, Edlund M, Lindström S, Van de Vreken W, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Van Dooren M, Kindermans N, Surleraux D, Wigerinck P, Rosenquist A, Samuelsson B, Simmen K, Raboisson P.
Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors. Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D, Classon B, Ayesa S, Ivanov V, Johansson PO, Kahnberg P, Eneroth A, Wikstrom K, Vrang L, Edlund M, Lindström S, Van de Vreken W, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Van Dooren M, Kindermans N, Surleraux D, Wigerinck P, Rosenquist A, Samuelsson B, Simmen K, Raboisson P.: Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors. Bioorg Med Chem Lett, Volume 18 (23), 2008 Bioorg Med Chem Lett 2008 18954982
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Venier O, Pascal C, Braun A, Namane C, Mougenot P, Crespin...
Venier O, Pascal C, Braun A, Namane C, Mougenot P, Crespin O, Pacquet F, Mougenot C, Monseau C, Onofri B, Dadji-Faïhun R, Leger C, Ben-Hassine M, Van-Pham T, Ragot JL, Philippo C, Farjot G, Noah L, Maniani K, Boutarfa A, Nicolaï E, Guillot E, Pruniaux MP, Güssregen S, Engel C, Coutant AL, de Miguel B, Castro A.
Discovery of SAR184841, a potent and long-lasting inhibitor of 11β-hydroxysteroid dehydrogenase type 1, active in a... Venier O, Pascal C, Braun A, Namane C, Mougenot P, Crespin O, Pacquet F, Mougenot C, Monseau C, Onofri B, Dadji-Faïhun R, Leger C, Ben-Hassine M, Van-Pham T, Ragot JL, Philippo C, Farjot G, Noah L, Maniani K, Boutarfa A, Nicolaï E, Guillot E, Pruniaux MP, Güssregen S, Engel C, Coutant AL, de Miguel B, Castro A.: Discovery of SAR184841, a potent and long-lasting inhibitor of 11β-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D. Bioorg Med Chem Lett, Volume 23 (8), 2013 Bioorg Med Chem Lett 2013 23478147
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Venier O, Pascal C, Braun A, Namane C, Mougenot P, Crespin...
Venier O, Pascal C, Braun A, Namane C, Mougenot P, Crespin O, Pacquet F, Mougenot C, Monseau C, Onofri B, Dadji-Faïhun R, Leger C, Ben-Hassine M, Van-Pham T, Ragot JL, Philippo C, Güssregen S, Engel C, Farjot G, Noah L, Maniani K, Nicolaï E.
Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11β-hydroxysteroid-dehydrogenase type 1. Venier O, Pascal C, Braun A, Namane C, Mougenot P, Crespin O, Pacquet F, Mougenot C, Monseau C, Onofri B, Dadji-Faïhun R, Leger C, Ben-Hassine M, Van-Pham T, Ragot JL, Philippo C, Güssregen S, Engel C, Farjot G, Noah L, Maniani K, Nicolaï E.: Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11β-hydroxysteroid-dehydrogenase type 1. Bioorg Med Chem Lett, Volume 21 (8), 2011 Bioorg Med Chem Lett 2011 21439819
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Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos...
Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.
Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive... Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010 J Med Chem 2010 20166697
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Venukadasula PK, Owusu BY, Bansal N, Ross LJ, Hobrath JV,...
Venukadasula PK, Owusu BY, Bansal N, Ross LJ, Hobrath JV, Bao D, Truss JW, Stackhouse M, Messick TE, Klampfer L, Galemmo RA.
Design and Synthesis of Nonpeptide Inhibitors of Hepatocyte Growth Factor Activation. Venukadasula PK, Owusu BY, Bansal N, Ross LJ, Hobrath JV, Bao D, Truss JW, Stackhouse M, Messick TE, Klampfer L, Galemmo RA.: Design and Synthesis of Nonpeptide Inhibitors of Hepatocyte Growth Factor Activation. ACS Med Chem Lett, Volume 7 (2), 2016 ACS Med Chem Lett 2016 26985294
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Vera MD, Lundquist JT, Chengalvala MV, Cottom JE, Feingold...
Vera MD, Lundquist JT, Chengalvala MV, Cottom JE, Feingold IB, Garrick LM, Green DM, Hauze DB, Mann CW, Mehlmann JF, Rogers JF, Shanno L, Wrobel JE, Pelletier JC.
Synthesis and biological evaluation of piperazinyl heterocyclic antagonists of the gonadotropin releasing hormone... Vera MD, Lundquist JT, Chengalvala MV, Cottom JE, Feingold IB, Garrick LM, Green DM, Hauze DB, Mann CW, Mehlmann JF, Rogers JF, Shanno L, Wrobel JE, Pelletier JC.: Synthesis and biological evaluation of piperazinyl heterocyclic antagonists of the gonadotropin releasing hormone (GnRH) receptor. Bioorg Med Chem Lett, Volume 20 (8), 2010 Bioorg Med Chem Lett 2010 20236823
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Verhoest PR, Basak AS, Parikh V, Hayward M, Kauffman GW,...
Verhoest PR, Basak AS, Parikh V, Hayward M, Kauffman GW, Paradis V, McHardy SF, McLean S, Grimwood S, Schmidt AW, Vanase-Frawley M, Freeman J, Van Deusen J, Cox L, Wong D, Liras S.
Design and discovery of a selective small molecule κ opioid antagonist... Verhoest PR, Basak AS, Parikh V, Hayward M, Kauffman GW, Paradis V, McHardy SF, McLean S, Grimwood S, Schmidt AW, Vanase-Frawley M, Freeman J, Van Deusen J, Cox L, Wong D, Liras S.: Design and discovery of a selective small molecule κ opioid antagonist (2-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine, PF-4455242). J Med Chem, Volume 54 (16), 2011 J Med Chem 2011 21744827
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Verma VA, Shore DGM, Chen H, Chen J, Do S, Hackos DH,...
Verma VA, Shore DGM, Chen H, Chen J, Do S, Hackos DH, Kolesnikov A, Lyssikatos JP, Tay S, Wang L, Estrada AA.
α-Aryl pyrrolidine sulfonamides as TRPA1 antagonists. Verma VA, Shore DGM, Chen H, Chen J, Do S, Hackos DH, Kolesnikov A, Lyssikatos JP, Tay S, Wang L, Estrada AA.: α-Aryl pyrrolidine sulfonamides as TRPA1 antagonists. Bioorg Med Chem Lett, Volume 26 (2), 2016 Bioorg Med Chem Lett 2016 26706172
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Versiani MA, Diyabalanage T, Ratnayake R, Henrich CJ, Bates...
Versiani MA, Diyabalanage T, Ratnayake R, Henrich CJ, Bates SE, McMahon JB, Gustafson KR.
Flavonoids from eight tropical plant species that inhibit the multidrug resistance transporter ABCG2. Versiani MA, Diyabalanage T, Ratnayake R, Henrich CJ, Bates SE, McMahon JB, Gustafson KR.: Flavonoids from eight tropical plant species that inhibit the multidrug resistance transporter ABCG2. J Nat Prod, Volume 74 (2), 2011 J Nat Prod 2011 21275386
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
Viayna E, Coquelle N, Cieslikiewicz-Bouet M, Cisternas P,...
Viayna E, Coquelle N, Cieslikiewicz-Bouet M, Cisternas P, Oliva CA, Sánchez-López E, Ettcheto M, Bartolini M, De Simone A, Ricchini M, Rendina M, Pons M, Firuzi O, Pérez B, Saso L, Andrisano V, Nachon F, Brazzolotto X, García ML, Camins A, Silman I, Jean L, Inestrosa NC, Colletier JP, Renard PY, Muñoz-Torrero D.
Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that... Viayna E, Coquelle N, Cieslikiewicz-Bouet M, Cisternas P, Oliva CA, Sánchez-López E, Ettcheto M, Bartolini M, De Simone A, Ricchini M, Rendina M, Pons M, Firuzi O, Pérez B, Saso L, Andrisano V, Nachon F, Brazzolotto X, García ML, Camins A, Silman I, Jean L, Inestrosa NC, Colletier JP, Renard PY, Muñoz-Torrero D.: Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice. J Med Chem, Volume 64 (1), 2021 J Med Chem 2021 33356266
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Viayna E, Sola I, Bartolini M, De Simone A, Tapia-Rojas C,...
Viayna E, Sola I, Bartolini M, De Simone A, Tapia-Rojas C, Serrano FG, Sabaté R, Juárez-Jiménez J, Pérez B, Luque FJ, Andrisano V, Clos MV, Inestrosa NC, Muñoz-Torrero D.
Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying... Viayna E, Sola I, Bartolini M, De Simone A, Tapia-Rojas C, Serrano FG, Sabaté R, Juárez-Jiménez J, Pérez B, Luque FJ, Andrisano V, Clos MV, Inestrosa NC, Muñoz-Torrero D.: Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents. J Med Chem, Volume 57 (6), 2014 J Med Chem 2014 24568372
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Vickers CF, Silva APG, Chakraborty A, Fernandez P, Kurepina...
Vickers CF, Silva APG, Chakraborty A, Fernandez P, Kurepina N, Saville C, Naranjo Y, Pons M, Schnettger LS, Gutierrez MG, Park S, Kreiswith BN, Perlin DS, Thomas EJ, Cavet JS, Tabernero L.
Structure-Based Design of MptpB Inhibitors That Reduce Multidrug-Resistant Mycobacterium tuberculosis Survival and... Vickers CF, Silva APG, Chakraborty A, Fernandez P, Kurepina N, Saville C, Naranjo Y, Pons M, Schnettger LS, Gutierrez MG, Park S, Kreiswith BN, Perlin DS, Thomas EJ, Cavet JS, Tabernero L.: Structure-Based Design of MptpB Inhibitors That Reduce Multidrug-Resistant Mycobacterium tuberculosis Survival and Infection Burden in Vivo. J Med Chem, Volume 61 (18), 2018 J Med Chem 2018 30153005
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Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J,...
Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.
Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin... Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008 Bioorg Med Chem Lett 2008 18468895
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Vig BS, Stouch TR, Timoszyk JK, Quan Y, Wall DA, Smith RL,...
Vig BS, Stouch TR, Timoszyk JK, Quan Y, Wall DA, Smith RL, Faria TN.
Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding. Vig BS, Stouch TR, Timoszyk JK, Quan Y, Wall DA, Smith RL, Faria TN.: Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding. J Med Chem, Volume 49 (12), 2006 J Med Chem 2006 16759105
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro...
Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.
Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an... Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017 J Med Chem 2017 28650650
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Vignaroli G, Zamperini C, Dreassi E, Radi M, Angelucci A,...
Vignaroli G, Zamperini C, Dreassi E, Radi M, Angelucci A, Sanità P, Crespan E, Kissova M, Maga G, Schenone S, Musumeci F, Botta M.
Pyrazolo[3,4-d]pyrimidine Prodrugs: Strategic Optimization of the Aqueous Solubility of Dual Src/Abl Inhibitors. Vignaroli G, Zamperini C, Dreassi E, Radi M, Angelucci A, Sanità P, Crespan E, Kissova M, Maga G, Schenone S, Musumeci F, Botta M.: Pyrazolo[3,4-d]pyrimidine Prodrugs: Strategic Optimization of the Aqueous Solubility of Dual Src/Abl Inhibitors. ACS Med Chem Lett, Volume 4 (7), 2013 ACS Med Chem Lett 2013 24900720
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Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D,...
Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.
Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012 Bioorg Med Chem Lett 2012 22632936
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Villemure E, Terrett JA, Larouche-Gauthier R, Déry M, Chen...
Villemure E, Terrett JA, Larouche-Gauthier R, Déry M, Chen H, Reese RM, Shields SD, Chen J, Magnuson S, Volgraf M.
A Retrospective Look at the Impact of Binding Site Environment on the Optimization of TRPA1 Antagonists. Villemure E, Terrett JA, Larouche-Gauthier R, Déry M, Chen H, Reese RM, Shields SD, Chen J, Magnuson S, Volgraf M.: A Retrospective Look at the Impact of Binding Site Environment on the Optimization of TRPA1 Antagonists. ACS Med Chem Lett, Volume 12 (8), 2021 ACS Med Chem Lett 2021 34413952
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Vippila MR, Ly PK, Cuny GD.
Vippila MR, Ly PK, Cuny GD.
Synthesis and Antiproliferative Activity Evaluation of the Disulfide-Containing Cyclic Peptide Thiochondrilline C and... Vippila MR, Ly PK, Cuny GD.: Synthesis and Antiproliferative Activity Evaluation of the Disulfide-Containing Cyclic Peptide Thiochondrilline C and Derivatives. J Nat Prod, Volume 78 (10), 2015 J Nat Prod 2015 26444379
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Visentin M, Chang MH, Romero MF, Zhao R, Goldman ID.
Visentin M, Chang MH, Romero MF, Zhao R, Goldman ID.
Substrate- and pH-specific antifolate transport mediated by organic anion-transporting polypeptide 2B1... Visentin M, Chang MH, Romero MF, Zhao R, Goldman ID.: Substrate- and pH-specific antifolate transport mediated by organic anion-transporting polypeptide 2B1 (OATP2B1-SLCO2B1). Mol Pharmacol, Volume 81 (2), 2012 Mol Pharmacol 2012 22021325
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Visser MS, Freeman-Cook KD, Brickner SJ, Brighty KE, Le PT,...
Visser MS, Freeman-Cook KD, Brickner SJ, Brighty KE, Le PT, Wade SK, Monahan R, Martinelli GJ, Blair KT, Moore DE.
Synthesis and biological evaluation of novel hygromycin A antibacterial agents. Visser MS, Freeman-Cook KD, Brickner SJ, Brighty KE, Le PT, Wade SK, Monahan R, Martinelli GJ, Blair KT, Moore DE.: Synthesis and biological evaluation of novel hygromycin A antibacterial agents. Bioorg Med Chem Lett, Volume 20 (22), 2010 Bioorg Med Chem Lett 2010 20864341
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Vivier D, Bennis K, Lesage F, Ducki S.
Vivier D, Bennis K, Lesage F, Ducki S.
Perspectives on the Two-Pore Domain Potassium Channel TREK-1 (TWIK-Related K(+) Channel 1). A Novel Therapeutic Target? Vivier D, Bennis K, Lesage F, Ducki S.: Perspectives on the Two-Pore Domain Potassium Channel TREK-1 (TWIK-Related K(+) Channel 1). A Novel Therapeutic Target? J Med Chem, Volume 59 (11), 2016 J Med Chem 2016 26588045
Total substances: 15
Total passive interactions: 0
Total active interactions: 18
Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.
Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.
PAMPA study of the temperature effect on permeability. Vizserálek G, Balogh T, Takács-Novák K, Sinkó B.: PAMPA study of the temperature effect on permeability. Eur J Pharm Sci, Volume 53, 45-49, 2014 Eur J Pharm Sci 2014 24361474
Total substances: 7
Total passive interactions: 14
Total active interactions: 0
Vodnala SK, Lundbäck T, Yeheskieli E, Sjöberg B,...
Vodnala SK, Lundbäck T, Yeheskieli E, Sjöberg B, Gustavsson AL, Svensson R, Olivera GC, Eze AA, de Koning HP, Hammarström LG, Rottenberg ME.
Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African... Vodnala SK, Lundbäck T, Yeheskieli E, Sjöberg B, Gustavsson AL, Svensson R, Olivera GC, Eze AA, de Koning HP, Hammarström LG, Rottenberg ME.: Structure-activity relationships of synthetic cordycepin analogues as experimental therapeutics for African trypanosomiasis. J Med Chem, Volume 56 (24), 2013 J Med Chem 2013 24283924
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Voelker T, Xia H, Fandrick K, Johnson R, Janowsky A,...
Voelker T, Xia H, Fandrick K, Johnson R, Janowsky A, Cashman JR.
2,5-Disubstituted tetrahydrofurans as selective serotonin re-uptake inhibitors. Voelker T, Xia H, Fandrick K, Johnson R, Janowsky A, Cashman JR.: 2,5-Disubstituted tetrahydrofurans as selective serotonin re-uptake inhibitors. Bioorg Med Chem, Volume 17 (5), 2009 Bioorg Med Chem 2009 19201198
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K,...
Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.
Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of... Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006 J Med Chem 2006 16570918
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von Berg S, Xue Y, Collins M, Llinas A, Olsson RI,...
von Berg S, Xue Y, Collins M, Llinas A, Olsson RI, Halvarsson T, Lindskog M, Malmberg J, Jirholt J, Krutrök N, Ramnegård M, Brännström M, Lundqvist A, Lepistö M, Aagaard A, McPheat J, Hansson EL, Chen R, Xiong Y, Hansson TG, Narjes F.
Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. von Berg S, Xue Y, Collins M, Llinas A, Olsson RI, Halvarsson T, Lindskog M, Malmberg J, Jirholt J, Krutrök N, Ramnegård M, Brännström M, Lundqvist A, Lepistö M, Aagaard A, McPheat J, Hansson EL, Chen R, Xiong Y, Hansson TG, Narjes F.: Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. ACS Med Chem Lett, Volume 10 (6), 2019 ACS Med Chem Lett 2019 31223457
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Vu AT, Cohn ST, Zhang P, Kim CY, Mahaney PE, Bray JA,...
Vu AT, Cohn ST, Zhang P, Kim CY, Mahaney PE, Bray JA, Johnston GH, Koury EJ, Cosmi SA, Deecher DC, Smith VA, Harrison JE, Leventhal L, Whiteside GT, Kennedy JD, Trybulski EJ.
1-(Indolin-1-yl)-1-phenyl-3-propan-2-olamines as potent and selective norepinephrine reuptake inhibitors. Vu AT, Cohn ST, Zhang P, Kim CY, Mahaney PE, Bray JA, Johnston GH, Koury EJ, Cosmi SA, Deecher DC, Smith VA, Harrison JE, Leventhal L, Whiteside GT, Kennedy JD, Trybulski EJ.: 1-(Indolin-1-yl)-1-phenyl-3-propan-2-olamines as potent and selective norepinephrine reuptake inhibitors. J Med Chem, Volume 53 (5), 2010 J Med Chem 2010 20131864
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Waaler J, Leenders RGG, Sowa ST, Alam Brinch S, Lycke M,...
Waaler J, Leenders RGG, Sowa ST, Alam Brinch S, Lycke M, Nieczypor P, Aertssen S, Murthy S, Galera-Prat A, Damen E, Wegert A, Nazaré M, Lehtiö L, Krauss S.
Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. Waaler J, Leenders RGG, Sowa ST, Alam Brinch S, Lycke M, Nieczypor P, Aertssen S, Murthy S, Galera-Prat A, Damen E, Wegert A, Nazaré M, Lehtiö L, Krauss S.: Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J Med Chem, Volume 63 (13), 2020 J Med Chem 2020 32511917
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Wacker DA, Varnes JG, Malmstrom SE, Cao X, Hung CP, Ung T,...
Wacker DA, Varnes JG, Malmstrom SE, Cao X, Hung CP, Ung T, Wu G, Zhang G, Zuvich E, Thomas MA, Keim WJ, Cullen MJ, Rohrbach KW, Qu Q, Narayanan R, Rossi K, Janovitz E, Lehman-McKeeman L, Malley MF, Devenny J, Pelleymounter MA, Miller KJ, Robl JA.
Discovery of (R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol- 6(2H)-one, a selective, orally... Wacker DA, Varnes JG, Malmstrom SE, Cao X, Hung CP, Ung T, Wu G, Zhang G, Zuvich E, Thomas MA, Keim WJ, Cullen MJ, Rohrbach KW, Qu Q, Narayanan R, Rossi K, Janovitz E, Lehman-McKeeman L, Malley MF, Devenny J, Pelleymounter MA, Miller KJ, Robl JA.: Discovery of (R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol- 6(2H)-one, a selective, orally active agonist of the 5-HT(2C) receptor. J Med Chem, Volume 50 (6), 2007 J Med Chem 2007 17315987
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Wacker DA, Wang Y, Broekema M, Rossi K, O'Connor S, Hong Z,...
Wacker DA, Wang Y, Broekema M, Rossi K, O'Connor S, Hong Z, Wu G, Malmstrom SE, Hung CP, LaMarre L, Chimalakonda A, Zhang L, Xin L, Cai H, Chu C, Boehm S, Zalaznick J, Ponticiello R, Sereda L, Han SP, Zebo R, Zinker B, Luk CE, Wong R, Everlof G, Li YX, Wu CK, Lee M, Griffen S, Miller KJ, Krupinski J, Robl JA.
Discovery of... Wacker DA, Wang Y, Broekema M, Rossi K, O'Connor S, Hong Z, Wu G, Malmstrom SE, Hung CP, LaMarre L, Chimalakonda A, Zhang L, Xin L, Cai H, Chu C, Boehm S, Zalaznick J, Ponticiello R, Sereda L, Han SP, Zebo R, Zinker B, Luk CE, Wong R, Everlof G, Li YX, Wu CK, Lee M, Griffen S, Miller KJ, Krupinski J, Robl JA.: Discovery of 5-chloro-4-((1-(5-chloropyrimidin-2-yl)piperidin-4-yl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)pyridin-2(1H)-one (BMS-903452), an antidiabetic clinical candidate targeting GPR119. J Med Chem, Volume 57 (18), 2014 J Med Chem 2014 25208139
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Wada Y, Nakano S, Morimoto A, Kasahara KI, Hayashi T,...
Wada Y, Nakano S, Morimoto A, Kasahara KI, Hayashi T, Takada Y, Suzuki H, Niwa-Sakai M, Ohashi S, Mori M, Hirokawa T, Shuto S.
Discovery of Novel Indazole Derivatives as Orally Available β3-Adrenergic Receptor Agonists Lacking... Wada Y, Nakano S, Morimoto A, Kasahara KI, Hayashi T, Takada Y, Suzuki H, Niwa-Sakai M, Ohashi S, Mori M, Hirokawa T, Shuto S.: Discovery of Novel Indazole Derivatives as Orally Available β3-Adrenergic Receptor Agonists Lacking Off-Target-Based Cardiovascular Side Effects. J Med Chem, Volume 60 (8), 2017 J Med Chem 2017 28355078
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Wager TT, Pettersen BA, Schmidt AW, Spracklin DK, Mente S,...
Wager TT, Pettersen BA, Schmidt AW, Spracklin DK, Mente S, Butler TW, Howard H, Lettiere DJ, Rubitski DM, Wong DF, Nedza FM, Nelson FR, Rollema H, Raggon JW, Aubrecht J, Freeman JK, Marcek JM, Cianfrogna J, Cook KW, James LC, Chatman LA, Iredale PA, Banker MJ, Homiski ML, Munzner JB, Chandrasekaran RY.
Discovery of two clinical histamine H(3) receptor antagonists:... Wager TT, Pettersen BA, Schmidt AW, Spracklin DK, Mente S, Butler TW, Howard H, Lettiere DJ, Rubitski DM, Wong DF, Nedza FM, Nelson FR, Rollema H, Raggon JW, Aubrecht J, Freeman JK, Marcek JM, Cianfrogna J, Cook KW, James LC, Chatman LA, Iredale PA, Banker MJ, Homiski ML, Munzner JB, Chandrasekaran RY.: Discovery of two clinical histamine H(3) receptor antagonists: trans-N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidinylmethyl)phenyl]cyclobutanecarboxamide (PF-03654746) and trans-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(2-methylpropyl)cyclobutanecarboxamide (PF-03654764). J Med Chem, Volume 54 (21), 2011 J Med Chem 2011 21928839
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Wagner J, von Matt P, Faller B, Cooke NG, Albert R, Sedrani...
Wagner J, von Matt P, Faller B, Cooke NG, Albert R, Sedrani R, Wiegand H, Jean C, Beerli C, Weckbecker G, Evenou JP, Zenke G, Cottens S.
Structure-activity relationship and pharmacokinetic studies of sotrastaurin (AEB071), a promising novel medicine for... Wagner J, von Matt P, Faller B, Cooke NG, Albert R, Sedrani R, Wiegand H, Jean C, Beerli C, Weckbecker G, Evenou JP, Zenke G, Cottens S.: Structure-activity relationship and pharmacokinetic studies of sotrastaurin (AEB071), a promising novel medicine for prevention of graft rejection and treatment of psoriasis. J Med Chem, Volume 54 (17), 2011 J Med Chem 2011 21797275
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Wagner R, Randolph JT, Patel SV, Nelson L, Matulenko MA,...
Wagner R, Randolph JT, Patel SV, Nelson L, Matulenko MA, Keddy R, Pratt JK, Liu D, Krueger AC, Donner PL, Hutchinson DK, Flentge C, Betebenner D, Rockway T, Maring CJ, Ng TI, Krishnan P, Pilot-Matias T, Collins C, Panchal N, Reisch T, Dekhtyar T, Mondal R, Stolarik DF, Gao Y, Gao W, Beno DA, Kati WM.
Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the... Wagner R, Randolph JT, Patel SV, Nelson L, Matulenko MA, Keddy R, Pratt JK, Liu D, Krueger AC, Donner PL, Hutchinson DK, Flentge C, Betebenner D, Rockway T, Maring CJ, Ng TI, Krishnan P, Pilot-Matias T, Collins C, Panchal N, Reisch T, Dekhtyar T, Mondal R, Stolarik DF, Gao Y, Gao W, Beno DA, Kati WM.: Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530). J Med Chem, Volume 61 (9), 2018 J Med Chem 2018 29653491
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Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy...
Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.
N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small... Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009 Bioorg Med Chem Lett 2009 19647430
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Walker AL, Ancellin N, Beaufils B, Bergeal M, Binnie M,...
Walker AL, Ancellin N, Beaufils B, Bergeal M, Binnie M, Bouillot A, Clapham D, Denis A, Haslam CP, Holmes DS, Hutchinson JP, Liddle J, McBride A, Mirguet O, Mowat CG, Rowland P, Tiberghien N, Trottet L, Uings I, Webster SP, Zheng X, Mole DJ.
Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of... Walker AL, Ancellin N, Beaufils B, Bergeal M, Binnie M, Bouillot A, Clapham D, Denis A, Haslam CP, Holmes DS, Hutchinson JP, Liddle J, McBride A, Mirguet O, Mowat CG, Rowland P, Tiberghien N, Trottet L, Uings I, Webster SP, Zheng X, Mole DJ.: Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J Med Chem, Volume 60 (8), 2017 J Med Chem 2017 28398044
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Walker DP, Zawistoski MP, McGlynn MA, Li JC, Kung DW,...
Walker DP, Zawistoski MP, McGlynn MA, Li JC, Kung DW, Bonnette PC, Baumann A, Buckbinder L, Houser JA, Boer J, Mistry A, Han S, Xing L, Guzman-Perez A.
Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show... Walker DP, Zawistoski MP, McGlynn MA, Li JC, Kung DW, Bonnette PC, Baumann A, Buckbinder L, Houser JA, Boer J, Mistry A, Han S, Xing L, Guzman-Perez A.: Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity. Bioorg Med Chem Lett, Volume 19 (12), 2009 Bioorg Med Chem Lett 2009 19428251
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Walsh MJ, Brimacombe KR, Veith H, Bougie JM, Daniel T,...
Walsh MJ, Brimacombe KR, Veith H, Bougie JM, Daniel T, Leister W, Cantley LC, Israelsen WJ, Vander Heiden MG, Shen M, Auld DS, Thomas CJ, Boxer MB.
2-Oxo-N-aryl-1,2,3,4-tetrahydroquinoline-6-sulfonamides as activators of the tumor cell specific M2 isoform of pyruvate... Walsh MJ, Brimacombe KR, Veith H, Bougie JM, Daniel T, Leister W, Cantley LC, Israelsen WJ, Vander Heiden MG, Shen M, Auld DS, Thomas CJ, Boxer MB.: 2-Oxo-N-aryl-1,2,3,4-tetrahydroquinoline-6-sulfonamides as activators of the tumor cell specific M2 isoform of pyruvate kinase. Bioorg Med Chem Lett, Volume 21 (21), 2011 Bioorg Med Chem Lett 2011 21958545
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Walter A, Gutknecht J.
Walter A, Gutknecht J.
Permeability of small nonelectrolytes through lipid bilayer membranes. Walter A, Gutknecht J.: Permeability of small nonelectrolytes through lipid bilayer membranes. J Membr Biol, Volume 90 (3), 207-217, 1986 J Membr Biol 1986 3735402
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Wan H, Schroeder GM, Hart AC, Inghrim J, Grebinski J,...
Wan H, Schroeder GM, Hart AC, Inghrim J, Grebinski J, Tokarski JS, Lorenzi MV, You D, Mcdevitt T, Penhallow B, Vuppugalla R, Zhang Y, Gu X, Iyer R, Lombardo LJ, Trainor GL, Ruepp S, Lippy J, Blat Y, Sack JS, Khan JA, Stefanski K, Sleczka B, Mathur A, Sun JH, Wong MK, Wu DR, Li P, Gupta A, Arunachalam PN, Pragalathan B, Narayanan S, K C N, Kuppusamy P, Purandare AV.
Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. Wan H, Schroeder GM, Hart AC, Inghrim J, Grebinski J, Tokarski JS, Lorenzi MV, You D, Mcdevitt T, Penhallow B, Vuppugalla R, Zhang Y, Gu X, Iyer R, Lombardo LJ, Trainor GL, Ruepp S, Lippy J, Blat Y, Sack JS, Khan JA, Stefanski K, Sleczka B, Mathur A, Sun JH, Wong MK, Wu DR, Li P, Gupta A, Arunachalam PN, Pragalathan B, Narayanan S, K C N, Kuppusamy P, Purandare AV.: Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. ACS Med Chem Lett, Volume 6 (8), 2015 ACS Med Chem Lett 2015 26288683
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Wan ZK, Follows B, Kirincich S, Wilson D, Binnun E, Xu W,...
Wan ZK, Follows B, Kirincich S, Wilson D, Binnun E, Xu W, Joseph-McCarthy D, Wu J, Smith M, Zhang YL, Tam M, Erbe D, Tam S, Saiah E, Lee J.
Probing acid replacements of thiophene PTP1B inhibitors. Wan ZK, Follows B, Kirincich S, Wilson D, Binnun E, Xu W, Joseph-McCarthy D, Wu J, Smith M, Zhang YL, Tam M, Erbe D, Tam S, Saiah E, Lee J.: Probing acid replacements of thiophene PTP1B inhibitors. Bioorg Med Chem Lett, Volume 17 (10), 2007 Bioorg Med Chem Lett 2007 17336064
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Wang AX, Chen J, Zhao Q, Sun LQ, Friborg J, Yu F, Hernandez...
Wang AX, Chen J, Zhao Q, Sun LQ, Friborg J, Yu F, Hernandez D, Good AC, Klei HE, Rajamani R, Mosure K, Knipe JO, Li D, Zhu J, Levesque PC, McPhee F, Meanwell NA, Scola PM.
Structure-activity relationships of 4-hydroxy-4-biaryl-proline acylsulfonamide tripeptides: A series of potent NS3... Wang AX, Chen J, Zhao Q, Sun LQ, Friborg J, Yu F, Hernandez D, Good AC, Klei HE, Rajamani R, Mosure K, Knipe JO, Li D, Zhu J, Levesque PC, McPhee F, Meanwell NA, Scola PM.: Structure-activity relationships of 4-hydroxy-4-biaryl-proline acylsulfonamide tripeptides: A series of potent NS3 protease inhibitors for the treatment of hepatitis C virus. Bioorg Med Chem Lett, Volume 27 (3), 2017 Bioorg Med Chem Lett 2017 28011221
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Wang B, Wang Z, Chen H, Lu CJ, Li X.
Wang B, Wang Z, Chen H, Lu CJ, Li X.
Synthesis and evaluation of 8-hydroxyquinolin derivatives substituted with (benzo[d][1,2]selenazol-3(2H)-one) as... Wang B, Wang Z, Chen H, Lu CJ, Li X.: Synthesis and evaluation of 8-hydroxyquinolin derivatives substituted with (benzo[d][1,2]selenazol-3(2H)-one) as effective inhibitor of metal-induced Aβ aggregation and antioxidant. Bioorg Med Chem, Volume 24 (19), 2016 Bioorg Med Chem 2016 27567080
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Wang C, Lin W, Playa H, Sun S, Cameron K, Buolamwini JK.
Wang C, Lin W, Playa H, Sun S, Cameron K, Buolamwini JK.
Dipyridamole analogs as pharmacological inhibitors of equilibrative nucleoside transporters. Identification of novel... Wang C, Lin W, Playa H, Sun S, Cameron K, Buolamwini JK.: Dipyridamole analogs as pharmacological inhibitors of equilibrative nucleoside transporters. Identification of novel potent and selective inhibitors of the adenosine transporter function of human equilibrative nucleoside transporter 4 (hENT4). Biochem Pharmacol, Volume 86 (11), 2013 Biochem Pharmacol 2013 24021350
Total substances: 1
Total passive interactions: 0
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Wang CC.
Wang CC.
Parasite enzymes as potential targets for antiparasitic chemotherapy. Wang CC.: Parasite enzymes as potential targets for antiparasitic chemotherapy. J Med Chem, Volume 27 (1), 1984 J Med Chem 1984 6317859
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Wang CK, Northfield SE, Swedberg JE, Colless B, Chaousis S,...
Wang CK, Northfield SE, Swedberg JE, Colless B, Chaousis S, Price DA, Liras S, Craik DJ.
Exploring experimental and computational markers of cyclic peptides: Charting islands of permeability. Wang CK, Northfield SE, Swedberg JE, Colless B, Chaousis S, Price DA, Liras S, Craik DJ.: Exploring experimental and computational markers of cyclic peptides: Charting islands of permeability. Eur J Med Chem, Volume 97, 2015 Eur J Med Chem 2015 25974856
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Wang E, Casciano CN, Clement RP, Johnson WW.
Wang E, Casciano CN, Clement RP, Johnson WW.
Cholesterol interaction with the daunorubicin binding site of P-glycoprotein. Wang E, Casciano CN, Clement RP, Johnson WW.: Cholesterol interaction with the daunorubicin binding site of P-glycoprotein. Biochem Biophys Res Commun, Volume 276 (3), 2000 Biochem Biophys Res Commun 2000 11027568
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Wang E, Lew K, Barecki M, Casciano CN, Clement RP, Johnson...
Wang E, Lew K, Barecki M, Casciano CN, Clement RP, Johnson WW.
Quantitative distinctions of active site molecular recognition by P-glycoprotein and cytochrome P450 3A4. Wang E, Lew K, Barecki M, Casciano CN, Clement RP, Johnson WW.: Quantitative distinctions of active site molecular recognition by P-glycoprotein and cytochrome P450 3A4. Chem Res Toxicol, Volume 14 (12), 2001 Chem Res Toxicol 2001 11743742
Total substances: 7
Total passive interactions: 0
Total active interactions: 7
Wang F, Good JA, Rath O, Kaan HY, Sutcliffe OB, Mackay SP,...
Wang F, Good JA, Rath O, Kaan HY, Sutcliffe OB, Mackay SP, Kozielski F.
Triphenylbutanamines: kinesin spindle protein inhibitors with in vivo antitumor activity. Wang F, Good JA, Rath O, Kaan HY, Sutcliffe OB, Mackay SP, Kozielski F.: Triphenylbutanamines: kinesin spindle protein inhibitors with in vivo antitumor activity. J Med Chem, Volume 55 (4), 2012 J Med Chem 2012 22248262
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Wang F, Jeon KO, Salovich JM, Macdonald JD, Alvarado J,...
Wang F, Jeon KO, Salovich JM, Macdonald JD, Alvarado J, Gogliotti RD, Phan J, Olejniczak ET, Sun Q, Wang S, Camper D, Yuh JP, Shaw JG, Sai J, Rossanese OW, Tansey WP, Stauffer SR, Fesik SW.
Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based... Wang F, Jeon KO, Salovich JM, Macdonald JD, Alvarado J, Gogliotti RD, Phan J, Olejniczak ET, Sun Q, Wang S, Camper D, Yuh JP, Shaw JG, Sai J, Rossanese OW, Tansey WP, Stauffer SR, Fesik SW.: Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J Med Chem, Volume 61 (13), 2018 J Med Chem 2018 29889518
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Wang GK, Russell C, Wang SY.
Wang GK, Russell C, Wang SY.
Mexiletine block of wild-type and inactivation-deficient human skeletal muscle hNav1.4 Na+ channels. Wang GK, Russell C, Wang SY.: Mexiletine block of wild-type and inactivation-deficient human skeletal muscle hNav1.4 Na+ channels. J Physiol, Volume 554 (pt 3), 2004 J Physiol 2004 14608007
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Wang H, Lim ZY, Zhou Y, Ng M, Lu T, Lee K, Sangthongpitag...
Wang H, Lim ZY, Zhou Y, Ng M, Lu T, Lee K, Sangthongpitag K, Goh KC, Wang X, Wu X, Khng HH, Goh SK, Ong WC, Bonday Z, Sun ET.
Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo... Wang H, Lim ZY, Zhou Y, Ng M, Lu T, Lee K, Sangthongpitag K, Goh KC, Wang X, Wu X, Khng HH, Goh SK, Ong WC, Bonday Z, Sun ET.: Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo antitumor activity. Bioorg Med Chem Lett, Volume 20 (11), 2010 Bioorg Med Chem Lett 2010 20451378
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Wang H, Ren B, Liu Y, Jiang B, Guo Y, Wei M, Luo L, Kuang...
Wang H, Ren B, Liu Y, Jiang B, Guo Y, Wei M, Luo L, Kuang X, Qiu M, Lv L, Xu H, Qi R, Yan H, Xu D, Wang Z, Huo CX, Zhu Y, Zhao Y, Wu Y, Qin Z, Su D, Tang T, Wang F, Sun X, Feng Y, Peng H, Wang X, Gao Y, Liu Y, Gong W, Yu F, Liu X, Wang L, Zhou C.
Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical... Wang H, Ren B, Liu Y, Jiang B, Guo Y, Wei M, Luo L, Kuang X, Qiu M, Lv L, Xu H, Qi R, Yan H, Xu D, Wang Z, Huo CX, Zhu Y, Zhao Y, Wu Y, Qin Z, Su D, Tang T, Wang F, Sun X, Feng Y, Peng H, Wang X, Gao Y, Liu Y, Gong W, Yu F, Liu X, Wang L, Zhou C.: Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development. J Med Chem, Volume 63 (24), 2020 J Med Chem 2020 33264017
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Wang H, Yu N, Chen D, Lee KC, Lye PL, Chang JW, Deng W, Ng...
Wang H, Yu N, Chen D, Lee KC, Lye PL, Chang JW, Deng W, Ng MC, Lu T, Khoo ML, Poulsen A, Sangthongpitag K, Wu X, Hu C, Goh KC, Wang X, Fang L, Goh KL, Khng HH, Goh SK, Yeo P, Liu X, Bonday Z, Wood JM, Dymock BW, Kantharaj E, Sun ET.
Discovery of (2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide (SB939), an orally... Wang H, Yu N, Chen D, Lee KC, Lye PL, Chang JW, Deng W, Ng MC, Lu T, Khoo ML, Poulsen A, Sangthongpitag K, Wu X, Hu C, Goh KC, Wang X, Fang L, Goh KL, Khng HH, Goh SK, Yeo P, Liu X, Bonday Z, Wood JM, Dymock BW, Kantharaj E, Sun ET.: Discovery of (2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide (SB939), an orally active histone deacetylase inhibitor with a superior preclinical profile. J Med Chem, Volume 54 (13), 2011 J Med Chem 2011 21634430
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Wang H, Zhao Z, Zhou J, Guo Y, Wang G, Hao H, Xu X.
Wang H, Zhao Z, Zhou J, Guo Y, Wang G, Hao H, Xu X.
A novel intestinal-restricted FXR agonist. Wang H, Zhao Z, Zhou J, Guo Y, Wang G, Hao H, Xu X.: A novel intestinal-restricted FXR agonist. Bioorg Med Chem Lett, Volume 27 (15), 2017 Bioorg Med Chem Lett 2017 28629595
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Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.
Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.
Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective... Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017 Eur J Med Chem 2017 28800459
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Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.
Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.
Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion... Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016 Bioorg Med Chem 2016 27460699
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Wang J, Zeng W, Li S, Shen L, Gu Z, Zhang Y, Li J, Chen S,...
Wang J, Zeng W, Li S, Shen L, Gu Z, Zhang Y, Li J, Chen S, Jia X.
Discovery and Assessment of Atropisomers of (±)-Lesinurad. Wang J, Zeng W, Li S, Shen L, Gu Z, Zhang Y, Li J, Chen S, Jia X.: Discovery and Assessment of Atropisomers of (±)-Lesinurad. ACS Med Chem Lett, Volume 8 (3), 2017 ACS Med Chem Lett 2017 28337320
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Wang J.
Wang J.
The plasma membrane monoamine transporter (PMAT): Structure, function, and role in organic cation disposition. Wang J.: The plasma membrane monoamine transporter (PMAT): Structure, function, and role in organic cation disposition. Clin Pharmacol Ther, Volume 100 (5), 2016 Clin Pharmacol Ther 2016 27506881
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Wang JS, Zhu HJ, Gibson BB, Markowitz JS, Donovan JL,...
Wang JS, Zhu HJ, Gibson BB, Markowitz JS, Donovan JL, DeVane CL.
Sertraline and its metabolite desmethylsertraline, but not bupropion or its three major metabolites, have high affinity... Wang JS, Zhu HJ, Gibson BB, Markowitz JS, Donovan JL, DeVane CL.: Sertraline and its metabolite desmethylsertraline, but not bupropion or its three major metabolites, have high affinity for P-glycoprotein. Biol Pharm Bull, Volume 31 (2), 2008 Biol Pharm Bull 2008 18239278
Total substances: 3
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Total active interactions: 3
Wang JS, Zhu HJ, Markowitz JS, Donovan JL, DeVane CL.
Wang JS, Zhu HJ, Markowitz JS, Donovan JL, DeVane CL.
Evaluation of antipsychotic drugs as inhibitors of multidrug resistance transporter P-glycoprotein. Wang JS, Zhu HJ, Markowitz JS, Donovan JL, DeVane CL.: Evaluation of antipsychotic drugs as inhibitors of multidrug resistance transporter P-glycoprotein. Psychopharmacology (Berl), Volume 187 (4), 2006 Psychopharmacology (Berl) 2006 16810505
Total substances: 1
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Total active interactions: 1
Wang L, Jiang J, Zhang L, Zhang Q, Zhou J, Li L, Xu X, You...
Wang L, Jiang J, Zhang L, Zhang Q, Zhou J, Li L, Xu X, You Q.
Discovery and Optimization of Small Molecules Targeting the Protein-Protein Interaction of Heat Shock Protein 90... Wang L, Jiang J, Zhang L, Zhang Q, Zhou J, Li L, Xu X, You Q.: Discovery and Optimization of Small Molecules Targeting the Protein-Protein Interaction of Heat Shock Protein 90 (Hsp90) and Cell Division Cycle 37 as Orally Active Inhibitors for the Treatment of Colorectal Cancer. J Med Chem, Volume 63 (3), 2020 J Med Chem 2020 31935086
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Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu...
Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.
Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and... Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J Med Chem, Volume 60 (9), 2017 J Med Chem 2017 28368119
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Wang L, Tang J, Huber AD, Casey MC, Kirby KA, Wilson DJ,...
Wang L, Tang J, Huber AD, Casey MC, Kirby KA, Wilson DJ, Kankanala J, Xie J, Parniak MA, Sarafianos SG, Wang Z.
6-Arylthio-3-hydroxypyrimidine-2,4-diones potently inhibited HIV reverse transcriptase-associated RNase H with... Wang L, Tang J, Huber AD, Casey MC, Kirby KA, Wilson DJ, Kankanala J, Xie J, Parniak MA, Sarafianos SG, Wang Z.: 6-Arylthio-3-hydroxypyrimidine-2,4-diones potently inhibited HIV reverse transcriptase-associated RNase H with antiviral activity. Eur J Med Chem, Volume 156, 2018 Eur J Med Chem 2018 30031976
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Wang L, Zellmer SG, Printzenhoff DM, Castle NA.
Wang L, Zellmer SG, Printzenhoff DM, Castle NA.
PF-06526290 can both enhance and inhibit conduction through voltage-gated sodium channels. Wang L, Zellmer SG, Printzenhoff DM, Castle NA.: PF-06526290 can both enhance and inhibit conduction through voltage-gated sodium channels. Br J Pharmacol, Volume 175 (14), 2018 Br J Pharmacol 2018 29791744
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J,...
Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.
Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005 Int J Pharm 2005 15620875
Total substances: 28
Total passive interactions: 28
Total active interactions: 0
Wang S, Midgley CA, Scaërou F, Grabarek JB, Griffiths G,...
Wang S, Midgley CA, Scaërou F, Grabarek JB, Griffiths G, Jackson W, Kontopidis G, McClue SJ, McInnes C, Meades C, Mezna M, Plater A, Stuart I, Thomas MP, Wood G, Clarke RG, Blake DG, Zheleva DI, Lane DP, Jackson RC, Glover DM, Fischer PM.
Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors. Wang S, Midgley CA, Scaërou F, Grabarek JB, Griffiths G, Jackson W, Kontopidis G, McClue SJ, McInnes C, Meades C, Mezna M, Plater A, Stuart I, Thomas MP, Wood G, Clarke RG, Blake DG, Zheleva DI, Lane DP, Jackson RC, Glover DM, Fischer PM.: Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors. J Med Chem, Volume 53 (11), 2010 J Med Chem 2010 20462263
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Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD,...
Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.
Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency... Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009 Bioorg Med Chem Lett 2009 19664921
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Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang...
Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.
Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018 Bioorg Med Chem Lett 2018 29748048
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Wang T, Ueda Y, Zhang Z, Yin Z, Matiskella J, Pearce BC,...
Wang T, Ueda Y, Zhang Z, Yin Z, Matiskella J, Pearce BC, Yang Z, Zheng M, Parker DD, Yamanaka GA, Gong YF, Ho HT, Colonno RJ, Langley DR, Lin PF, Meanwell NA, Kadow JF.
Discovery of the Human Immunodeficiency Virus Type 1 (HIV-1) Attachment Inhibitor Temsavir and Its Phosphonooxymethyl... Wang T, Ueda Y, Zhang Z, Yin Z, Matiskella J, Pearce BC, Yang Z, Zheng M, Parker DD, Yamanaka GA, Gong YF, Ho HT, Colonno RJ, Langley DR, Lin PF, Meanwell NA, Kadow JF.: Discovery of the Human Immunodeficiency Virus Type 1 (HIV-1) Attachment Inhibitor Temsavir and Its Phosphonooxymethyl Prodrug Fostemsavir. J Med Chem, Volume 61 (14), 2018 J Med Chem 2018 29920093
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Wang T, Yin Z, Zhang Z, Bender JA, Yang Z, Johnson G, Yang...
Wang T, Yin Z, Zhang Z, Bender JA, Yang Z, Johnson G, Yang Z, Zadjura LM, D'Arienzo CJ, DiGiugno Parker D, Gesenberg C, Yamanaka GA, Gong YF, Ho HT, Fang H, Zhou N, McAuliffe BV, Eggers BJ, Fan L, Nowicka-Sans B, Dicker IB, Gao Q, Colonno RJ, Lin PF, Meanwell NA, Kadow JF.
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading... Wang T, Yin Z, Zhang Z, Bender JA, Yang Z, Johnson G, Yang Z, Zadjura LM, D'Arienzo CJ, DiGiugno Parker D, Gesenberg C, Yamanaka GA, Gong YF, Ho HT, Fang H, Zhou N, McAuliffe BV, Eggers BJ, Fan L, Nowicka-Sans B, Dicker IB, Gao Q, Colonno RJ, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity in HIV-1-infected subjects. J Med Chem, Volume 52 (23), 2009 J Med Chem 2009 19769332
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Wang TC, Qiao JX, Clark CG, Jua J, Price LA, Wu Q, Chang M,...
Wang TC, Qiao JX, Clark CG, Jua J, Price LA, Wu Q, Chang M, Zheng J, Huang CS, Everlof G, Schumacher WA, Wong PC, Seiffert DA, Stewart AB, Bostwick JS, Crain EJ, Watson CA, Rehfuss R, Wexler RR, Lam PY.
Discovery of diarylurea P2Y(1) antagonists with improved aqueous solubility. Wang TC, Qiao JX, Clark CG, Jua J, Price LA, Wu Q, Chang M, Zheng J, Huang CS, Everlof G, Schumacher WA, Wong PC, Seiffert DA, Stewart AB, Bostwick JS, Crain EJ, Watson CA, Rehfuss R, Wexler RR, Lam PY.: Discovery of diarylurea P2Y(1) antagonists with improved aqueous solubility. Bioorg Med Chem Lett, Volume 23 (11), 2013 Bioorg Med Chem Lett 2013 23602442
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Wang W, Sasaki H, Chien DS, Lee VH.
Wang W, Sasaki H, Chien DS, Lee VH.
Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: a comparison with corneal penetration. Wang W, Sasaki H, Chien DS, Lee VH.: Lipophilicity influence on conjunctival drug penetration in the pigmented rabbit: a comparison with corneal penetration. Curr Eye Res, Volume 10 (6), 571-579, 1991 Curr Eye Res 1991 1680041
Total substances: 13
Total passive interactions: 26
Total active interactions: 0
Wang X, Barbosa J, Blomgren P, Bremer MC, Chen J, Crawford...
Wang X, Barbosa J, Blomgren P, Bremer MC, Chen J, Crawford JJ, Deng W, Dong L, Eigenbrot C, Gallion S, Hau J, Hu H, Johnson AR, Katewa A, Kropf JE, Lee SH, Liu L, Lubach JW, Macaluso J, Maciejewski P, Mitchell SA, Ortwine DF, DiPaolo J, Reif K, Scheerens H, Schmitt A, Wong H, Xiong JM, Xu J, Zhao Z, Zhou F, Currie KS, Young WB.
Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties. Wang X, Barbosa J, Blomgren P, Bremer MC, Chen J, Crawford JJ, Deng W, Dong L, Eigenbrot C, Gallion S, Hau J, Hu H, Johnson AR, Katewa A, Kropf JE, Lee SH, Liu L, Lubach JW, Macaluso J, Maciejewski P, Mitchell SA, Ortwine DF, DiPaolo J, Reif K, Scheerens H, Schmitt A, Wong H, Xiong JM, Xu J, Zhao Z, Zhou F, Currie KS, Young WB.: Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties. ACS Med Chem Lett, Volume 8 (6), 2017 ACS Med Chem Lett 2017 28626519
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Wang X, Blackaby W, Allen V, Chan GKY, Chang JH, Chiang PC,...
Wang X, Blackaby W, Allen V, Chan GKY, Chang JH, Chiang PC, Diène C, Drummond J, Do S, Fan E, Harstad EB, Hodges A, Hu H, Jia W, Kofie W, Kolesnikov A, Lyssikatos JP, Ly J, Matteucci M, Moffat JG, Munugalavadla V, Murray J, Nash D, Noland CL, Del Rosario G, Ross L, Rouse C, Sharpe A, Slaga D, Sun M, Tsui V, Wallweber H, Yu SF, Ebens AJ.
Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the... Wang X, Blackaby W, Allen V, Chan GKY, Chang JH, Chiang PC, Diène C, Drummond J, Do S, Fan E, Harstad EB, Hodges A, Hu H, Jia W, Kofie W, Kolesnikov A, Lyssikatos JP, Ly J, Matteucci M, Moffat JG, Munugalavadla V, Murray J, Nash D, Noland CL, Del Rosario G, Ross L, Rouse C, Sharpe A, Slaga D, Sun M, Tsui V, Wallweber H, Yu SF, Ebens AJ.: Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma. J Med Chem, Volume 62 (4), 2019 J Med Chem 2019 30715878
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Wang X, Kolesnikov A, Tay S, Chan G, Chao Q, Do S, Drummond...
Wang X, Kolesnikov A, Tay S, Chan G, Chao Q, Do S, Drummond J, Ebens AJ, Liu N, Ly J, Harstad E, Hu H, Moffat J, Munugalavadla V, Murray J, Slaga D, Tsui V, Volgraf M, Wallweber H, Chang JH.
Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability. Wang X, Kolesnikov A, Tay S, Chan G, Chao Q, Do S, Drummond J, Ebens AJ, Liu N, Ly J, Harstad E, Hu H, Moffat J, Munugalavadla V, Murray J, Slaga D, Tsui V, Volgraf M, Wallweber H, Chang JH.: Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability. J Med Chem, Volume 60 (10), 2017 J Med Chem 2017 28445037
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Wang X, Li Y, Deuther-Conrad W, Xie F, Chen X, Cui MC,...
Wang X, Li Y, Deuther-Conrad W, Xie F, Chen X, Cui MC, Zhang XJ, Zhang JM, Steinbach J, Brust P, Liu BL, Jia HM.
Synthesis and biological evaluation of ¹⁸F labeled fluoro-oligo-ethoxylated 4-benzylpiperazine derivatives for... Wang X, Li Y, Deuther-Conrad W, Xie F, Chen X, Cui MC, Zhang XJ, Zhang JM, Steinbach J, Brust P, Liu BL, Jia HM.: Synthesis and biological evaluation of ¹⁸F labeled fluoro-oligo-ethoxylated 4-benzylpiperazine derivatives for sigma-1 receptor imaging. Bioorg Med Chem, Volume 21 (1), 2013 Bioorg Med Chem 2013 23199475
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Wang X, Liu B, Searle X, Yeung C, Bogdan A, Greszler S,...
Wang X, Liu B, Searle X, Yeung C, Bogdan A, Greszler S, Singh A, Fan Y, Swensen AM, Vortherms T, Balut C, Jia Y, Desino K, Gao W, Yong H, Tse C, Kym P.
Discovery of... Wang X, Liu B, Searle X, Yeung C, Bogdan A, Greszler S, Singh A, Fan Y, Swensen AM, Vortherms T, Balut C, Jia Y, Desino K, Gao W, Yong H, Tse C, Kym P.: Discovery of 4-[(2R,4R)-4-({[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl}amino)-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]benzoic Acid (ABBV/GLPG-2222), a Potent Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Corrector for the Treatment of Cystic Fibrosis. J Med Chem, Volume 61 (4), 2018 J Med Chem 2018 29251932
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Wang X, Wolkoff AW, Morris ME.
Wang X, Wolkoff AW, Morris ME.
Flavonoids as a novel class of human organic anion-transporting polypeptide OATP1B1 (OATP-C) modulators. Wang X, Wolkoff AW, Morris ME.: Flavonoids as a novel class of human organic anion-transporting polypeptide OATP1B1 (OATP-C) modulators. Drug Metab Dispos, Volume 33 (11), 2005 Drug Metab Dispos 2005 16081670
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Wang XB, Yin FC, Huang M, Jiang N, Lan JS, Kong LY.
Wang XB, Yin FC, Huang M, Jiang N, Lan JS, Kong LY.
Chromone and donepezil hybrids as new multipotent cholinesterase and monoamine oxidase inhibitors for the potential... Wang XB, Yin FC, Huang M, Jiang N, Lan JS, Kong LY.: Chromone and donepezil hybrids as new multipotent cholinesterase and monoamine oxidase inhibitors for the potential treatment of Alzheimer's disease. RSC Med Chem, Volume 11 (2), 2020 RSC Med Chem 2020 33479629
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Wang Y, Chen X, Yan Y, Zhu X, Liu M, Liu X.
Wang Y, Chen X, Yan Y, Zhu X, Liu M, Liu X.
Discovery and SARs of 5-Chloro-N4-phenyl-N2-(pyridin-2-yl)pyrimidine-2,4-diamine... Wang Y, Chen X, Yan Y, Zhu X, Liu M, Liu X.: Discovery and SARs of 5-Chloro-N4-phenyl-N2-(pyridin-2-yl)pyrimidine-2,4-diamine Derivatives as Oral Available and Dual CDK 6 and 9 Inhibitors with Potent Antitumor Activity. J Med Chem, Volume 63 (6), 2020 J Med Chem 2020 32129996
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Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D,...
Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.
An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019 Sci Rep 2019 30992465
Total substances: 7
Total passive interactions: 7
Total active interactions: 0
Wang Y, Hu Y, Xu S, Zhang Y, Musharrafieh R, Hau RK, Ma C,...
Wang Y, Hu Y, Xu S, Zhang Y, Musharrafieh R, Hau RK, Ma C, Wang J.
In Vitro Pharmacokinetic Optimizations of AM2-S31N Channel Blockers Led to the Discovery of Slow-Binding Inhibitors... Wang Y, Hu Y, Xu S, Zhang Y, Musharrafieh R, Hau RK, Ma C, Wang J.: In Vitro Pharmacokinetic Optimizations of AM2-S31N Channel Blockers Led to the Discovery of Slow-Binding Inhibitors with Potent Antiviral Activity against Drug-Resistant Influenza A Viruses. J Med Chem, Volume 61 (3), 2018 J Med Chem 2018 29341607
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Wang YY, Gao YX, Gao W, Xu Y, Xu YZ, Wang YJ, Chang S, Yu...
Wang YY, Gao YX, Gao W, Xu Y, Xu YZ, Wang YJ, Chang S, Yu LG, Zhang LY, Liao H, Yang LF, Pang T, Qiu WW.
Design, synthesis and biological evaluation of tricyclic diterpene derivatives as novel neuroprotective agents against... Wang YY, Gao YX, Gao W, Xu Y, Xu YZ, Wang YJ, Chang S, Yu LG, Zhang LY, Liao H, Yang LF, Pang T, Qiu WW.: Design, synthesis and biological evaluation of tricyclic diterpene derivatives as novel neuroprotective agents against ischemic brain injury. Eur J Med Chem, Volume 103, 2015 Eur J Med Chem 2015 26375352
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Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.
Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.
Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative... Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018 J Med Chem 2018 29420891
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Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.
Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.
Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for... Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015 J Med Chem 2015 26473791
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Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang...
Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.
Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016 Bioorg Med Chem 2016 27692996
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Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY,...
Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.
Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's... Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016 Eur J Med Chem 2016 27484514
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Wängler B, Beck C, Shiue CY, Schneider S, Schwanstecher C,...
Wängler B, Beck C, Shiue CY, Schneider S, Schwanstecher C, Schwanstecher M, Feilen PJ, Alavi A, Rösch F, Schirrmacher R.
Synthesis and in vitro evaluation of... Wängler B, Beck C, Shiue CY, Schneider S, Schwanstecher C, Schwanstecher M, Feilen PJ, Alavi A, Rösch F, Schirrmacher R.: Synthesis and in vitro evaluation of (S)-2-([11C]methoxy)-4-[3-methyl-1-(2-piperidine-1-yl-phenyl)-butyl-carbamoyl]-benzoic acid ([11C]methoxy-repaglinide): a potential beta-cell imaging agent. Bioorg Med Chem Lett, Volume 14 (20), 2004 Bioorg Med Chem Lett 2004 15380228
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Wångsell F, Russo F, Sävmarker J, Rosenquist A,...
Wångsell F, Russo F, Sävmarker J, Rosenquist A, Samuelsson B, Larhed M.
Design and synthesis of BACE-1 inhibitors utilizing a tertiary hydroxyl motif as the transition state mimic. Wångsell F, Russo F, Sävmarker J, Rosenquist A, Samuelsson B, Larhed M.: Design and synthesis of BACE-1 inhibitors utilizing a tertiary hydroxyl motif as the transition state mimic. Bioorg Med Chem Lett, Volume 19 (16), 2009 Bioorg Med Chem Lett 2009 19576765
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Wanner J, Chen L, Lemoine RC, Kondru R, Jekle A, Heilek G,...
Wanner J, Chen L, Lemoine RC, Kondru R, Jekle A, Heilek G, deRosier A, Ji C, Berry PW, Rotstein DM.
Evaluation of amide replacements in CCR5 antagonists as a means to increase intrinsic permeability. Part 2: SAR... Wanner J, Chen L, Lemoine RC, Kondru R, Jekle A, Heilek G, deRosier A, Ji C, Berry PW, Rotstein DM.: Evaluation of amide replacements in CCR5 antagonists as a means to increase intrinsic permeability. Part 2: SAR optimization and pharmacokinetic profile of a homologous azacyle series. Bioorg Med Chem Lett, Volume 20 (22), 2010 Bioorg Med Chem Lett 2010 20855212
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Ward RA, Anderton MJ, Bethel P, Breed J, Cook C, Davies EJ,...
Ward RA, Anderton MJ, Bethel P, Breed J, Cook C, Davies EJ, Dobson A, Dong Z, Fairley G, Farrington P, Feron L, Flemington V, Gibbons FD, Graham MA, Greenwood R, Hanson L, Hopcroft P, Howells R, Hudson J, James M, Jones CD, Jones CR, Li Y, Lamont S, Lewis R, Lindsay N, McCabe J, McGuire T, Rawlins P, Roberts K, Sandin L, Simpson I, Swallow S, Tang J, Tomkinson G, Tonge M, Wang Z, Zhai B.
Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and... Ward RA, Anderton MJ, Bethel P, Breed J, Cook C, Davies EJ, Dobson A, Dong Z, Fairley G, Farrington P, Feron L, Flemington V, Gibbons FD, Graham MA, Greenwood R, Hanson L, Hopcroft P, Howells R, Hudson J, James M, Jones CD, Jones CR, Li Y, Lamont S, Lewis R, Lindsay N, McCabe J, McGuire T, Rawlins P, Roberts K, Sandin L, Simpson I, Swallow S, Tang J, Tomkinson G, Tonge M, Wang Z, Zhai B.: Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC). J Med Chem, Volume 62 (24), 2019 J Med Chem 2019 31710489
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Ward RA, Bethel P, Cook C, Davies E, Debreczeni JE, Fairley...
Ward RA, Bethel P, Cook C, Davies E, Debreczeni JE, Fairley G, Feron L, Flemington V, Graham MA, Greenwood R, Griffin N, Hanson L, Hopcroft P, Howard TD, Hudson J, James M, Jones CD, Jones CR, Lamont S, Lewis R, Lindsay N, Roberts K, Simpson I, St-Gallay S, Swallow S, Tang J, Tonge M, Wang Z, Zhai B.
Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical... Ward RA, Bethel P, Cook C, Davies E, Debreczeni JE, Fairley G, Feron L, Flemington V, Graham MA, Greenwood R, Griffin N, Hanson L, Hopcroft P, Howard TD, Hudson J, James M, Jones CD, Jones CR, Lamont S, Lewis R, Lindsay N, Roberts K, Simpson I, St-Gallay S, Swallow S, Tang J, Tonge M, Wang Z, Zhai B.: Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J Med Chem, Volume 60 (8), 2017 J Med Chem 2017 28376306
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Ward SE, Harries M, Aldegheri L, Andreotti D, Ballantine S,...
Ward SE, Harries M, Aldegheri L, Andreotti D, Ballantine S, Bax BD, Harris AJ, Harker AJ, Lund J, Melarange R, Mingardi A, Mookherjee C, Mosley J, Neve M, Oliosi B, Profeta R, Smith KJ, Smith PW, Spada S, Thewlis KM, Yusaf SP.
Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA... Ward SE, Harries M, Aldegheri L, Andreotti D, Ballantine S, Bax BD, Harris AJ, Harker AJ, Lund J, Melarange R, Mingardi A, Mookherjee C, Mosley J, Neve M, Oliosi B, Profeta R, Smith KJ, Smith PW, Spada S, Thewlis KM, Yusaf SP.: Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator. J Med Chem, Volume 53 (15), 2010 J Med Chem 2010 20614889
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Michael J. Waring, David S. Clarke, Mark D. Fenwick, Linda...
Michael J. Waring, David S. Clarke, Mark D. Fenwick, Linda Godfrey, Sam D. Groombridge, Craig Johnstone, Darren McKerrecher, Kurt G. Pike, John W. Rayner, Graeme R. Robb, Ingrid Wilson
Property based optimisation of glucokinase activators – discovery of the phase IIb clinical candidate AZD1656 Waring M.J., Med. Chem. Commun., 2012,3, 1077-1081, 10.1039/C2MD20077E MedChemComm 2012 10.1039/C2MD200...
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Michael J. Waring, Iain J. Brogan, Matthew Coghlan, Craig...
Michael J. Waring, Iain J. Brogan, Matthew Coghlan, Craig Johnstone, Huw B. Jones, Brendan Leighton, Darren McKerrecher, Kurt G. Pikea, Graeme R. Robba
Overcoming retinoic acid receptor-α based testicular toxicity in the optimisation of glucokinase activators Waring M.J.: Med. Chem. Commun., 2011,2, 771-774, 10.1039/C1MD00090J MedChemComm 2011 10.1039/C1MD000...
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Michael J. Waring, Craig Johnstone, Darren McKerrecher,...
Michael J. Waring, Craig Johnstone, Darren McKerrecher, Kurt G. Pikea, Graeme Robba
Matrix-based multiparameter optimisation of glucokinase activators: the discovery of AZD1092 Waring, M.J.: Med. Chem. Commun., 2011,2, 775-779, 10.1039/C1MD00092F MedChemComm 2011 10.1039/C1MD000...
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Washburn WN.
Washburn WN.
Development of the renal glucose reabsorption inhibitors: a new mechanism for the pharmacotherapy of diabetes mellitus... Washburn WN.: Development of the renal glucose reabsorption inhibitors: a new mechanism for the pharmacotherapy of diabetes mellitus type 2. J Med Chem, Volume 52 (7), 2009 J Med Chem 2009 19243175
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Watanabe K, Kakefuda A, Yasuda M, Enjo K, Kikuchi A,...
Watanabe K, Kakefuda A, Yasuda M, Enjo K, Kikuchi A, Furutani T, Naritomi Y, Otsuka Y, Okada M, Ohta M.
Discovery of 2-methyl-1-{1-[(5-methyl-1H-indol-2-yl)carbonyl]piperidin-4-yl}propan-2-ol: a novel, potent and selective... Watanabe K, Kakefuda A, Yasuda M, Enjo K, Kikuchi A, Furutani T, Naritomi Y, Otsuka Y, Okada M, Ohta M.: Discovery of 2-methyl-1-{1-[(5-methyl-1H-indol-2-yl)carbonyl]piperidin-4-yl}propan-2-ol: a novel, potent and selective type 5 17β-hydroxysteroid dehydrogenase inhibitor. Bioorg Med Chem, Volume 21 (17), 2013 Bioorg Med Chem 2013 23845281
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Watanuki S, Matsuura K, Tomura Y, Okada M, Okazaki T, Ohta...
Watanuki S, Matsuura K, Tomura Y, Okada M, Okazaki T, Ohta M, Tsukamoto S.
Synthesis and pharmacological evaluation of 1-alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide... Watanuki S, Matsuura K, Tomura Y, Okada M, Okazaki T, Ohta M, Tsukamoto S.: Synthesis and pharmacological evaluation of 1-alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives as novel antihypertensive agents. Bioorg Med Chem, Volume 19 (18), 2011 Bioorg Med Chem 2011 21875808
Total substances: 1
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Total active interactions: 1
Waterson AG, Kennedy JP, Patrone JD, Pelz NF, Feldkamp MD,...
Waterson AG, Kennedy JP, Patrone JD, Pelz NF, Feldkamp MD, Frank AO, Vangamudi B, Souza-Fagundes EM, Rossanese OW, Chazin WJ, Fesik SW.
Diphenylpyrazoles as replication protein a inhibitors. Waterson AG, Kennedy JP, Patrone JD, Pelz NF, Feldkamp MD, Frank AO, Vangamudi B, Souza-Fagundes EM, Rossanese OW, Chazin WJ, Fesik SW.: Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, Volume 6 (2), 2015 ACS Med Chem Lett 2015 25699140
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Watterson SH, Chen P, Zhao Y, Gu HH, Dhar TG, Xiao Z,...
Watterson SH, Chen P, Zhao Y, Gu HH, Dhar TG, Xiao Z, Ballentine SK, Shen Z, Fleener CA, Rouleau KA, Obermeier M, Yang Z, McIntyre KW, Shuster DJ, Witmer M, Dambach D, Chao S, Mathur A, Chen BC, Barrish JC, Robl JA, Townsend R, Iwanowicz EJ.
Acridone-based inhibitors of inosine 5'-monophosphate dehydrogenase: discovery and SAR leading to the identification of... Watterson SH, Chen P, Zhao Y, Gu HH, Dhar TG, Xiao Z, Ballentine SK, Shen Z, Fleener CA, Rouleau KA, Obermeier M, Yang Z, McIntyre KW, Shuster DJ, Witmer M, Dambach D, Chao S, Mathur A, Chen BC, Barrish JC, Robl JA, Townsend R, Iwanowicz EJ.: Acridone-based inhibitors of inosine 5'-monophosphate dehydrogenase: discovery and SAR leading to the identification of N-(2-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)propan-2-yl)-2- fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide (BMS-566419). J Med Chem, Volume 50 (15), 2007 J Med Chem 2007 17585753
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Watterson SH, De Lucca GV, Shi Q, Langevine CM, Liu Q, Batt...
Watterson SH, De Lucca GV, Shi Q, Langevine CM, Liu Q, Batt DG, Beaudoin Bertrand M, Gong H, Dai J, Yip S, Li P, Sun D, Wu DR, Wang C, Zhang Y, Traeger SC, Pattoli MA, Skala S, Cheng L, Obermeier MT, Vickery R, Discenza LN, D'Arienzo CJ, Zhang Y, Heimrich E, Gillooly KM, Taylor TL, Pulicicchio C, McIntyre KW, Galella MA, Tebben AJ, Muckelbauer JK, Chang C, Rampulla R, Mathur A, Salter-Cid L, Barrish JC, Carter PH, Fura A, Burke JR, Tino JA.
Discovery of... Watterson SH, De Lucca GV, Shi Q, Langevine CM, Liu Q, Batt DG, Beaudoin Bertrand M, Gong H, Dai J, Yip S, Li P, Sun D, Wu DR, Wang C, Zhang Y, Traeger SC, Pattoli MA, Skala S, Cheng L, Obermeier MT, Vickery R, Discenza LN, D'Arienzo CJ, Zhang Y, Heimrich E, Gillooly KM, Taylor TL, Pulicicchio C, McIntyre KW, Galella MA, Tebben AJ, Muckelbauer JK, Chang C, Rampulla R, Mathur A, Salter-Cid L, Barrish JC, Carter PH, Fura A, Burke JR, Tino JA.: Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. J Med Chem, Volume 59 (19), 2016 J Med Chem 2016 27583770
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Watterson SH, Guo J, Spergel SH, Langevine CM, Moquin RV,...
Watterson SH, Guo J, Spergel SH, Langevine CM, Moquin RV, Shen DR, Yarde M, Cvijic ME, Banas D, Liu R, Suchard SJ, Gillooly K, Taylor T, Rex-Rabe S, Shuster DJ, McIntyre KW, Cornelius G, D'Arienzo C, Marino A, Balimane P, Warrack B, Salter-Cid L, McKinnon M, Barrish JC, Carter PH, Pitts WJ, Xie J, Dyckman AJ.
Potent and Selective Agonists of Sphingosine 1-Phosphate 1 (S1P1): Discovery and SAR of a Novel Isoxazole Based Series. Watterson SH, Guo J, Spergel SH, Langevine CM, Moquin RV, Shen DR, Yarde M, Cvijic ME, Banas D, Liu R, Suchard SJ, Gillooly K, Taylor T, Rex-Rabe S, Shuster DJ, McIntyre KW, Cornelius G, D'Arienzo C, Marino A, Balimane P, Warrack B, Salter-Cid L, McKinnon M, Barrish JC, Carter PH, Pitts WJ, Xie J, Dyckman AJ.: Potent and Selective Agonists of Sphingosine 1-Phosphate 1 (S1P1): Discovery and SAR of a Novel Isoxazole Based Series. J Med Chem, Volume 59 (6), 2016 J Med Chem 2016 26924461
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Watterson SH, Liu Q, Beaudoin Bertrand M, Batt DG, Li L,...
Watterson SH, Liu Q, Beaudoin Bertrand M, Batt DG, Li L, Pattoli MA, Skala S, Cheng L, Obermeier MT, Moore R, Yang Z, Vickery R, Elzinga PA, Discenza L, D'Arienzo C, Gillooly KM, Taylor TL, Pulicicchio C, Zhang Y, Heimrich E, McIntyre KW, Ruan Q, Westhouse RA, Catlett IM, Zheng N, Chaudhry C, Dai J, Galella MA, Tebben AJ, Pokross M, Li J, Zhao R, Smith D, Rampulla R, Allentoff A, Wallace MA, Mathur A, Salter-Cid L, Macor JE, Carter PH, Fura A, Burke JR, Tino JA.
Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor... Watterson SH, Liu Q, Beaudoin Bertrand M, Batt DG, Li L, Pattoli MA, Skala S, Cheng L, Obermeier MT, Moore R, Yang Z, Vickery R, Elzinga PA, Discenza L, D'Arienzo C, Gillooly KM, Taylor TL, Pulicicchio C, Zhang Y, Heimrich E, McIntyre KW, Ruan Q, Westhouse RA, Catlett IM, Zheng N, Chaudhry C, Dai J, Galella MA, Tebben AJ, Pokross M, Li J, Zhao R, Smith D, Rampulla R, Allentoff A, Wallace MA, Mathur A, Salter-Cid L, Macor JE, Carter PH, Fura A, Burke JR, Tino JA.: Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK). J Med Chem, Volume 62 (7), 2019 J Med Chem 2019 30893553
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Watterson SH, Xiao Z, Dodd DS, Tortolani DR, Vaccaro W,...
Watterson SH, Xiao Z, Dodd DS, Tortolani DR, Vaccaro W, Potin D, Launay M, Stetsko DK, Skala S, Davis PM, Lee D, Yang X, McIntyre KW, Balimane P, Patel K, Yang Z, Marathe P, Kadiyala P, Tebben AJ, Sheriff S, Chang CY, Ziemba T, Zhang H, Chen BC, DelMonte AJ, Aranibar N, McKinnon M, Barrish JC, Suchard SJ, Murali Dhar TG.
Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading... Watterson SH, Xiao Z, Dodd DS, Tortolani DR, Vaccaro W, Potin D, Launay M, Stetsko DK, Skala S, Davis PM, Lee D, Yang X, McIntyre KW, Balimane P, Patel K, Yang Z, Marathe P, Kadiyala P, Tebben AJ, Sheriff S, Chang CY, Ziemba T, Zhang H, Chen BC, DelMonte AJ, Aranibar N, McKinnon M, Barrish JC, Suchard SJ, Murali Dhar TG.: Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). J Med Chem, Volume 53 (9), 2010 J Med Chem 2010 20405922
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Watts E, Heidenreich D, Tucker E, Raab M, Strebhardt K,...
Watts E, Heidenreich D, Tucker E, Raab M, Strebhardt K, Chesler L, Knapp S, Bellenie B, Hoelder S.
Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. Watts E, Heidenreich D, Tucker E, Raab M, Strebhardt K, Chesler L, Knapp S, Bellenie B, Hoelder S.: Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30789735
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Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega...
Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega MF, Zhang Z, Cellitti J, Yang L, Dahl R, Reed JC, Pellecchia M.
Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell... Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega MF, Zhang Z, Cellitti J, Yang L, Dahl R, Reed JC, Pellecchia M.: Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (22), 2010 J Med Chem 2010 21033669
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Wei J, Stebbins JL, Kitada S, Dash R, Placzek W, Rega MF,...
Wei J, Stebbins JL, Kitada S, Dash R, Placzek W, Rega MF, Wu B, Cellitti J, Zhai D, Yang L, Dahl R, Fisher PB, Reed JC, Pellecchia M.
BI-97C1, an optically pure Apogossypol derivative as pan-active inhibitor of antiapoptotic B-cell lymphoma/leukemia-2... Wei J, Stebbins JL, Kitada S, Dash R, Placzek W, Rega MF, Wu B, Cellitti J, Zhai D, Yang L, Dahl R, Fisher PB, Reed JC, Pellecchia M.: BI-97C1, an optically pure Apogossypol derivative as pan-active inhibitor of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (10), 2010 J Med Chem 2010 20443627
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Wei S, Chen W, Qin J, Huangli Y, Wang L, Shen Y, Tang H.
Wei S, Chen W, Qin J, Huangli Y, Wang L, Shen Y, Tang H.
Multitarget-directed oxoisoaporphine derivatives: Anti-acetylcholinesterase, anti-β-amyloid aggregation and enhanced... Wei S, Chen W, Qin J, Huangli Y, Wang L, Shen Y, Tang H.: Multitarget-directed oxoisoaporphine derivatives: Anti-acetylcholinesterase, anti-β-amyloid aggregation and enhanced autophagy activity against Alzheimer's disease. Bioorg Med Chem, Volume 24 (22), 2016 Bioorg Med Chem 2016 27720328
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Wei Z, Yang H, Liu Z, Tremblay M, Johnstone S, Béha S, Yue...
Wei Z, Yang H, Liu Z, Tremblay M, Johnstone S, Béha S, Yue SY, Srivastava S, Tomaszewski MJ, Brown W, Walpole C, St-Onge S, Lessard E, Archambault AJ, Groblewski T, Pagé D.
N-Methyl-3-(tetrahydro-2H-pyran-4-yl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamides as a novel class of cannabinoid... Wei Z, Yang H, Liu Z, Tremblay M, Johnstone S, Béha S, Yue SY, Srivastava S, Tomaszewski MJ, Brown W, Walpole C, St-Onge S, Lessard E, Archambault AJ, Groblewski T, Pagé D.: N-Methyl-3-(tetrahydro-2H-pyran-4-yl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamides as a novel class of cannabinoid receptors agonists with low CNS penetration. Bioorg Med Chem Lett, Volume 22 (12), 2012 Bioorg Med Chem Lett 2012 22607668
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Weinstabl H, Treu M, Rinnenthal J, Zahn SK, Ettmayer P,...
Weinstabl H, Treu M, Rinnenthal J, Zahn SK, Ettmayer P, Bader G, Dahmann G, Kessler D, Rumpel K, Mischerikow N, Savarese F, Gerstberger T, Mayer M, Zoephel A, Schnitzer R, Sommergruber W, Martinelli P, Arnhof H, Peric-Simov B, Hofbauer KS, Garavel G, Scherbantin Y, Mitzner S, Fett TN, Scholz G, Bruchhaus J, Burkard M, Kousek R, Ciftci T, Sharps B, Schrenk A, Harrer C, Haering D, Wolkerstorfer B, Zhang X, Lv X, Du A, Li D, Li Y, Quant J, Pearson M, McConnell DB.
Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) Inhibitor BI-4924 Disrupts Serine... Weinstabl H, Treu M, Rinnenthal J, Zahn SK, Ettmayer P, Bader G, Dahmann G, Kessler D, Rumpel K, Mischerikow N, Savarese F, Gerstberger T, Mayer M, Zoephel A, Schnitzer R, Sommergruber W, Martinelli P, Arnhof H, Peric-Simov B, Hofbauer KS, Garavel G, Scherbantin Y, Mitzner S, Fett TN, Scholz G, Bruchhaus J, Burkard M, Kousek R, Ciftci T, Sharps B, Schrenk A, Harrer C, Haering D, Wolkerstorfer B, Zhang X, Lv X, Du A, Li D, Li Y, Quant J, Pearson M, McConnell DB.: Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) Inhibitor BI-4924 Disrupts Serine Biosynthesis. J Med Chem, Volume 62 (17), 2019 J Med Chem 2019 31365252
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Weiss JM, Jimenez HN, Li G, April M, Uberti MA, Bacolod MD,...
Weiss JM, Jimenez HN, Li G, April M, Uberti MA, Bacolod MD, Brodbeck RM, Doller D.
6-Aryl-3-pyrrolidinylpyridines as mGlu5 receptor negative allosteric modulators. Weiss JM, Jimenez HN, Li G, April M, Uberti MA, Bacolod MD, Brodbeck RM, Doller D.: 6-Aryl-3-pyrrolidinylpyridines as mGlu5 receptor negative allosteric modulators. Bioorg Med Chem Lett, Volume 21 (16), 2011 Bioorg Med Chem Lett 2011 21757343
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Werner S, Mesch S, Hillig RC, Ter Laak A, Klint J, Neagoe...
Werner S, Mesch S, Hillig RC, Ter Laak A, Klint J, Neagoe I, Laux-Biehlmann A, Dahllöf H, Bräuer N, Puetter V, Nubbemeyer R, Schulz S, Bairlein M, Zollner TM, Steinmeyer A.
Discovery and Characterization of the Potent and Selective P2X4 Inhibitor... Werner S, Mesch S, Hillig RC, Ter Laak A, Klint J, Neagoe I, Laux-Biehlmann A, Dahllöf H, Bräuer N, Puetter V, Nubbemeyer R, Schulz S, Bairlein M, Zollner TM, Steinmeyer A.: Discovery and Characterization of the Potent and Selective P2X4 Inhibitor N-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile. J Med Chem, Volume 62 (24), 2019 J Med Chem 2019 31746599
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Wessling ST, Ross BP, Koda Y, Blanchfield JT, Toth I.
Wessling ST, Ross BP, Koda Y, Blanchfield JT, Toth I.
Caco-2 cell permeability and stability of two d-glucopyranuronamide conjugates of thyrotropin-releasing hormone. Wessling ST, Ross BP, Koda Y, Blanchfield JT, Toth I.: Caco-2 cell permeability and stability of two d-glucopyranuronamide conjugates of thyrotropin-releasing hormone. Bioorg Med Chem, Volume 15 (14), 2007 Bioorg Med Chem 2007 17498958
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White BH, Whalen K, Kriksciukaite K, Alargova R, Au Yeung...
White BH, Whalen K, Kriksciukaite K, Alargova R, Au Yeung T, Bazinet P, Brockman A, DuPont M, Oller H, Lemelin CA, Lim Soo P, Moreau B, Perino S, Quinn JM, Sharma G, Shinde R, Sweryda-Krawiec B, Wooster R, Bilodeau MT.
Discovery of an SSTR2-Targeting Maytansinoid Conjugate (PEN-221) with Potent Activity in Vitro and in Vivo. White BH, Whalen K, Kriksciukaite K, Alargova R, Au Yeung T, Bazinet P, Brockman A, DuPont M, Oller H, Lemelin CA, Lim Soo P, Moreau B, Perino S, Quinn JM, Sharma G, Shinde R, Sweryda-Krawiec B, Wooster R, Bilodeau MT.: Discovery of an SSTR2-Targeting Maytansinoid Conjugate (PEN-221) with Potent Activity in Vitro and in Vivo. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30735385
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White JD, Juniku R, Huang K, Yang J, Wong DT.
White JD, Juniku R, Huang K, Yang J, Wong DT.
Synthesis of 1,1-[1-naphthyloxy-2-thiophenyl]-2-methylaminomethylcyclopropanes and their evaluation as inhibitors of... White JD, Juniku R, Huang K, Yang J, Wong DT.: Synthesis of 1,1-[1-naphthyloxy-2-thiophenyl]-2-methylaminomethylcyclopropanes and their evaluation as inhibitors of serotonin, norepinephrine, and dopamine transporters. J Med Chem, Volume 52 (19), 2009 J Med Chem 2009 19791802
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White PW, Llinàs-Brunet M, Amad M, Bethell RC, Bolger G,...
White PW, Llinàs-Brunet M, Amad M, Bethell RC, Bolger G, Cordingley MG, Duan J, Garneau M, Lagacé L, Thibeault D, Kukolj G.
Preclinical characterization of BI 201335, a C-terminal carboxylic acid inhibitor of the hepatitis C virus NS3-NS4A... White PW, Llinàs-Brunet M, Amad M, Bethell RC, Bolger G, Cordingley MG, Duan J, Garneau M, Lagacé L, Thibeault D, Kukolj G.: Preclinical characterization of BI 201335, a C-terminal carboxylic acid inhibitor of the hepatitis C virus NS3-NS4A protease. Antimicrob Agents Chemother, Volume 54 (11), 2010 Antimicrob Agents Chemother 2010 20823284
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Whitlock GA, Blagg J, Fish PV.
Whitlock GA, Blagg J, Fish PV.
1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG... Whitlock GA, Blagg J, Fish PV.: 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity. Bioorg Med Chem Lett, Volume 18 (2), 2008 Bioorg Med Chem Lett 2008 18240382
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Whitlock GA, Brennan PE, Roberts LR, Stobie A.
Whitlock GA, Brennan PE, Roberts LR, Stobie A.
Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009 Bioorg Med Chem Lett 2009 19394220
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Więckowska A, Kołaczkowski M, Bucki A, Godyń J,...
Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.
Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT6... Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT6 receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016 Eur J Med Chem 2016 27560283
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Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K,...
Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.
Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation... Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015 Bioorg Med Chem 2015 25868744
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William AD, Lee AC, Blanchard S, Poulsen A, Teo EL, Nagaraj...
William AD, Lee AC, Blanchard S, Poulsen A, Teo EL, Nagaraj H, Tan E, Chen D, Williams M, Sun ET, Goh KC, Ong WC, Goh SK, Hart S, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.
Discovery of the macrocycle... William AD, Lee AC, Blanchard S, Poulsen A, Teo EL, Nagaraj H, Tan E, Chen D, Williams M, Sun ET, Goh KC, Ong WC, Goh SK, Hart S, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.: Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor for the treatment of myelofibrosis and lymphoma. J Med Chem, Volume 54 (13), 2011 J Med Chem 2011 21604762
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William AD, Lee AC, Goh KC, Blanchard S, Poulsen A, Teo EL,...
William AD, Lee AC, Goh KC, Blanchard S, Poulsen A, Teo EL, Nagaraj H, Lee CP, Wang H, Williams M, Sun ET, Hu C, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.
Discovery of kinase spectrum selective macrocycle... William AD, Lee AC, Goh KC, Blanchard S, Poulsen A, Teo EL, Nagaraj H, Lee CP, Wang H, Williams M, Sun ET, Hu C, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.: Discovery of kinase spectrum selective macrocycle (16E)-14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene (SB1317/TG02), a potent inhibitor of cyclin dependent kinases (CDKs), Janus kinase 2 (JAK2), and fms-like tyrosine kinase-3 (FLT3) for the treatment of cancer. J Med Chem, Volume 55 (1), 2012 J Med Chem 2012 22148278
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William AD, Lee AC, Poulsen A, Goh KC, Madan B, Hart S, Tan...
William AD, Lee AC, Poulsen A, Goh KC, Madan B, Hart S, Tan E, Wang H, Nagaraj H, Chen D, Lee CP, Sun ET, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.
Discovery of the macrocycle... William AD, Lee AC, Poulsen A, Goh KC, Madan B, Hart S, Tan E, Wang H, Nagaraj H, Chen D, Lee CP, Sun ET, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.: Discovery of the macrocycle (9E)-15-(2-(pyrrolidin-1-yl)ethoxy)-7,12,25-trioxa-19,21,24-triaza-tetracyclo[18.3.1.1(2,5).1(14,18)]hexacosa-1(24),2,4,9,14(26),15,17,20,22-nonaene (SB1578), a potent inhibitor of janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) for the treatment of rheumatoid arthritis. J Med Chem, Volume 55 (6), 2012 J Med Chem 2012 22339472
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Williamson DS, Smith GP, Acheson-Dossang P, Bedford ST,...
Williamson DS, Smith GP, Acheson-Dossang P, Bedford ST, Chell V, Chen IJ, Daechsel JCA, Daniels Z, David L, Dokurno P, Hentzer M, Herzig MC, Hubbard RE, Moore JD, Murray JB, Newland S, Ray SC, Shaw T, Surgenor AE, Terry L, Thirstrup K, Wang Y, Christensen KV.
Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint... Williamson DS, Smith GP, Acheson-Dossang P, Bedford ST, Chell V, Chen IJ, Daechsel JCA, Daniels Z, David L, Dokurno P, Hentzer M, Herzig MC, Hubbard RE, Moore JD, Murray JB, Newland S, Ray SC, Shaw T, Surgenor AE, Terry L, Thirstrup K, Wang Y, Christensen KV.: Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J Med Chem, Volume 60 (21), 2017 J Med Chem 2017 29023112
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Williamson DS, Smith GP, Mikkelsen GK, Jensen T,...
Williamson DS, Smith GP, Mikkelsen GK, Jensen T, Acheson-Dossang P, Badolo L, Bedford ST, Chell V, Chen IJ, Dokurno P, Hentzer M, Newland S, Ray SC, Shaw T, Surgenor AE, Terry L, Wang Y, Christensen KV.
Design and Synthesis of Pyrrolo[2,3-d]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a... Williamson DS, Smith GP, Mikkelsen GK, Jensen T, Acheson-Dossang P, Badolo L, Bedford ST, Chell V, Chen IJ, Dokurno P, Hentzer M, Newland S, Ray SC, Shaw T, Surgenor AE, Terry L, Wang Y, Christensen KV.: Design and Synthesis of Pyrrolo[2,3-d]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J Med Chem, Volume 64 (14), 2021 J Med Chem 2021 34184879
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Wilson AA, Ginovart N, Schmidt M, Meyer JH, Threlkeld PG,...
Wilson AA, Ginovart N, Schmidt M, Meyer JH, Threlkeld PG, Houle S.
Novel radiotracers for imaging the serotonin transporter by positron emission tomography: synthesis, radiosynthesis,... Wilson AA, Ginovart N, Schmidt M, Meyer JH, Threlkeld PG, Houle S.: Novel radiotracers for imaging the serotonin transporter by positron emission tomography: synthesis, radiosynthesis, and in vitro and ex vivo evaluation of (11)C-labeled 2-(phenylthio)araalkylamines. J Med Chem, Volume 43 (16), 2000 J Med Chem 2000 10956218
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Wilson C, Ray P, Zuccotto F, Hernandez J, Aggarwal A,...
Wilson C, Ray P, Zuccotto F, Hernandez J, Aggarwal A, Mackenzie C, Caldwell N, Taylor M, Huggett M, Mathieson M, Murugesan D, Smith A, Davis S, Cocco M, Parai MK, Acharya A, Tamaki F, Scullion P, Epemolu O, Riley J, Stojanovski L, Lopez-Román EM, Torres-Gómez PA, Toledo AM, Guijarro-Lopez L, Camino I, Engelhart CA, Schnappinger D, Massoudi LM, Lenaerts A, Robertson GT, Walpole C, Matthews D, Floyd D, Sacchettini JC, Read KD, Encinas L, Bates RH, Green SR, Wyatt PG.
Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical... Wilson C, Ray P, Zuccotto F, Hernandez J, Aggarwal A, Mackenzie C, Caldwell N, Taylor M, Huggett M, Mathieson M, Murugesan D, Smith A, Davis S, Cocco M, Parai MK, Acharya A, Tamaki F, Scullion P, Epemolu O, Riley J, Stojanovski L, Lopez-Román EM, Torres-Gómez PA, Toledo AM, Guijarro-Lopez L, Camino I, Engelhart CA, Schnappinger D, Massoudi LM, Lenaerts A, Robertson GT, Walpole C, Matthews D, Floyd D, Sacchettini JC, Read KD, Encinas L, Bates RH, Green SR, Wyatt PG.: Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target. J Med Chem, Volume 65 (1), 2022 J Med Chem 2022 34910486
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Wilson CR, Gessner RK, Moosa A, Seldon R, Warner DF,...
Wilson CR, Gessner RK, Moosa A, Seldon R, Warner DF, Mizrahi V, Soares de Melo C, Simelane SB, Nchinda A, Abay E, Taylor D, Njoroge M, Brunschwig C, Lawrence N, Boshoff HIM, Barry CE, Sirgel FA, van Helden P, Harris CJ, Gordon R, Ghidelli-Disse S, Pflaumer H, Boesche M, Drewes G, Sanz O, Santos G, Rebollo-Lopez MJ, Urones B, Selenski C, Lafuente-Monasterio MJ, Axtman M, Lelièvre J, Ballell L, Mueller R, Street LJ, Ghorpade SR, Chibale K.
Novel Antitubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a... Wilson CR, Gessner RK, Moosa A, Seldon R, Warner DF, Mizrahi V, Soares de Melo C, Simelane SB, Nchinda A, Abay E, Taylor D, Njoroge M, Brunschwig C, Lawrence N, Boshoff HIM, Barry CE, Sirgel FA, van Helden P, Harris CJ, Gordon R, Ghidelli-Disse S, Pflaumer H, Boesche M, Drewes G, Sanz O, Santos G, Rebollo-Lopez MJ, Urones B, Selenski C, Lafuente-Monasterio MJ, Axtman M, Lelièvre J, Ballell L, Mueller R, Street LJ, Ghorpade SR, Chibale K.: Novel Antitubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a SoftFocus Library: Structure-Activity Relationship and Target Identification Studies. J Med Chem, Volume 60 (24), 2017 J Med Chem 2017 29148755
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Wilson JE, Patel G, Patel C, Brucelle F, Huhn A, Gardberg...
Wilson JE, Patel G, Patel C, Brucelle F, Huhn A, Gardberg AS, Poy F, Cantone N, Bommi-Reddy A, Sims RJ, Cummings RT, Levell JR.
Discovery of CPI-1612: A Potent, Selective, and Orally Bioavailable EP300/CBP Histone Acetyltransferase Inhibitor. Wilson JE, Patel G, Patel C, Brucelle F, Huhn A, Gardberg AS, Poy F, Cantone N, Bommi-Reddy A, Sims RJ, Cummings RT, Levell JR.: Discovery of CPI-1612: A Potent, Selective, and Orally Bioavailable EP300/CBP Histone Acetyltransferase Inhibitor. ACS Med Chem Lett, Volume 11 (6), 2020 ACS Med Chem Lett 2020 32551019
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Winter ND, Schatz GC.
Winter ND, Schatz GC.
Coarse-grained molecular dynamics study of permeability enhancement in DPPC bilayers by incorporation of lysolipid. Winter ND, Schatz GC.: Coarse-grained molecular dynamics study of permeability enhancement in DPPC bilayers by incorporation of lysolipid. J Phys Chem B, Volume 114 (15), 5053-5060, 2010 J Phys Chem B 2010 20353246
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Wiśniowska B, Mendyk A, Fijorek K, Glinka A, Polak S.
Wiśniowska B, Mendyk A, Fijorek K, Glinka A, Polak S.
Predictive model for L-type channel inhibition: multichannel block in QT prolongation risk assessment. Wiśniowska B, Mendyk A, Fijorek K, Glinka A, Polak S.: Predictive model for L-type channel inhibition: multichannel block in QT prolongation risk assessment. J Appl Toxicol, Volume 32 (10), 2012 J Appl Toxicol 2012 22761000
Total substances: 30
Total passive interactions: 0
Total active interactions: 30
Wittgen HG, van den Heuvel JJ, van den Broek PH, Siissalo...
Wittgen HG, van den Heuvel JJ, van den Broek PH, Siissalo S, Groothuis GM, de Graaf IA, Koenderink JB, Russel FG.
Transport of the coumarin metabolite 7-hydroxycoumarin glucuronide is mediated via multidrug resistance-associated... Wittgen HG, van den Heuvel JJ, van den Broek PH, Siissalo S, Groothuis GM, de Graaf IA, Koenderink JB, Russel FG.: Transport of the coumarin metabolite 7-hydroxycoumarin glucuronide is mediated via multidrug resistance-associated proteins 3 and 4. Drug Metab Dispos, Volume 40 (6), 2012 Drug Metab Dispos 2012 22415933
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Wittman MD, Carboni JM, Yang Z, Lee FY, Antman M, Attar R,...
Wittman MD, Carboni JM, Yang Z, Lee FY, Antman M, Attar R, Balimane P, Chang C, Chen C, Discenza L, Frennesson D, Gottardis MM, Greer A, Hurlburt W, Johnson W, Langley DR, Li A, Li J, Liu P, Mastalerz H, Mathur A, Menard K, Patel K, Sack J, Sang X, Saulnier M, Smith D, Stefanski K, Trainor G, Velaparthi U, Zhang G, Zimmermann K, Vyas DM.
Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor... Wittman MD, Carboni JM, Yang Z, Lee FY, Antman M, Attar R, Balimane P, Chang C, Chen C, Discenza L, Frennesson D, Gottardis MM, Greer A, Hurlburt W, Johnson W, Langley DR, Li A, Li J, Liu P, Mastalerz H, Mathur A, Menard K, Patel K, Sack J, Sang X, Saulnier M, Smith D, Stefanski K, Trainor G, Velaparthi U, Zhang G, Zimmermann K, Vyas DM.: Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development. J Med Chem, Volume 52 (23), 2009 J Med Chem 2009 19778024
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Wittwer MB, Zur AA, Khuri N, Kido Y, Kosaka A, Zhang X,...
Wittwer MB, Zur AA, Khuri N, Kido Y, Kosaka A, Zhang X, Morrissey KM, Sali A, Huang Y, Giacomini KM.
Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through... Wittwer MB, Zur AA, Khuri N, Kido Y, Kosaka A, Zhang X, Morrissey KM, Sali A, Huang Y, Giacomini KM.: Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling. J Med Chem, Volume 56 (3), 2013 J Med Chem 2013 23241029
Total substances: 60
Total passive interactions: 0
Total active interactions: 115
Wityak J, Prime ME, Brookfield FA, Courtney SM, Erfan S,...
Wityak J, Prime ME, Brookfield FA, Courtney SM, Erfan S, Johnsen S, Johnson PD, Li M, Marston RW, Reed L, Vaidya D, Schaertl S, Pedret-Dunn A, Beconi M, Macdonald D, Muñoz-Sanjuan I, Dominguez C.
SAR Development of Lysine-Based Irreversible Inhibitors of Transglutaminase 2 for Huntington's Disease. Wityak J, Prime ME, Brookfield FA, Courtney SM, Erfan S, Johnsen S, Johnson PD, Li M, Marston RW, Reed L, Vaidya D, Schaertl S, Pedret-Dunn A, Beconi M, Macdonald D, Muñoz-Sanjuan I, Dominguez C.: SAR Development of Lysine-Based Irreversible Inhibitors of Transglutaminase 2 for Huntington's Disease. ACS Med Chem Lett, Volume 3 (12), 2012 ACS Med Chem Lett 2012 24900424
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Wlodarczyk N, Le Broc-Ryckewaert D, Gilleron P, Lemoine A,...
Wlodarczyk N, Le Broc-Ryckewaert D, Gilleron P, Lemoine A, Farce A, Chavatte P, Dubois J, Pommery N, Hénichart JP, Furman C, Millet R.
Potent farnesyltransferase inhibitors with 1,4-diazepane scaffolds as novel destabilizing microtubule agents in... Wlodarczyk N, Le Broc-Ryckewaert D, Gilleron P, Lemoine A, Farce A, Chavatte P, Dubois J, Pommery N, Hénichart JP, Furman C, Millet R.: Potent farnesyltransferase inhibitors with 1,4-diazepane scaffolds as novel destabilizing microtubule agents in hormone-resistant prostate cancer. J Med Chem, Volume 54 (5), 2011 J Med Chem 2011 21299244
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Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D,...
Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.
Nε-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis,... Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: Nε-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018 J Med Chem 2018 29664627
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Wohnsland F, Faller B.
Wohnsland F, Faller B.
High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes. Wohnsland F, Faller B.: High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes. J Med Chem, Volume 44 (6), 2001 J Med Chem 2001 11300874
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Woll MG, Qi H, Turpoff A, Zhang N, Zhang X, Chen G, Li C,...
Woll MG, Qi H, Turpoff A, Zhang N, Zhang X, Chen G, Li C, Huang S, Yang T, Moon YC, Lee CS, Choi S, Almstead NG, Naryshkin NA, Dakka A, Narasimhan J, Gabbeta V, Welch E, Zhao X, Risher N, Sheedy J, Weetall M, Karp GM.
Discovery and Optimization of Small Molecule Splicing Modifiers of Survival Motor Neuron 2 as a Treatment for Spinal... Woll MG, Qi H, Turpoff A, Zhang N, Zhang X, Chen G, Li C, Huang S, Yang T, Moon YC, Lee CS, Choi S, Almstead NG, Naryshkin NA, Dakka A, Narasimhan J, Gabbeta V, Welch E, Zhao X, Risher N, Sheedy J, Weetall M, Karp GM.: Discovery and Optimization of Small Molecule Splicing Modifiers of Survival Motor Neuron 2 as a Treatment for Spinal Muscular Atrophy. J Med Chem, Volume 59 (13), 2016 J Med Chem 2016 27299569
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Wolle P, Hardick J, Cronin SJF, Engel J, Baumann M,...
Wolle P, Hardick J, Cronin SJF, Engel J, Baumann M, Lategahn J, Penninger JM, Rauh D.
Targeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent... Wolle P, Hardick J, Cronin SJF, Engel J, Baumann M, Lategahn J, Penninger JM, Rauh D.: Targeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent Inhibitors. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30768270
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Wolman AT, Gionfriddo MR, Heindel GA, Mukhija P, Witkowski...
Wolman AT, Gionfriddo MR, Heindel GA, Mukhija P, Witkowski S, Bommareddy A, Vanwert AL.
Organic anion transporter 3 interacts selectively with lipophilic β-lactam antibiotics. Wolman AT, Gionfriddo MR, Heindel GA, Mukhija P, Witkowski S, Bommareddy A, Vanwert AL.: Organic anion transporter 3 interacts selectively with lipophilic β-lactam antibiotics. Drug Metab Dispos, Volume 41 (4), 2013 Drug Metab Dispos 2013 23344796
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Total passive interactions: 0
Total active interactions: 1
Wolosin JM, Ginsburg H.
Wolosin JM, Ginsburg H.
The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975 Biochim Biophys Acta 1975 237547
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Wong EH, Sonders MS, Amara SG, Tinholt PM, Piercey MF,...
Wong EH, Sonders MS, Amara SG, Tinholt PM, Piercey MF, Hoffmann WP, Hyslop DK, Franklin S, Porsolt RD, Bonsignori A, Carfagna N, McArthur RA.
Reboxetine: a pharmacologically potent, selective, and specific norepinephrine reuptake inhibitor. Wong EH, Sonders MS, Amara SG, Tinholt PM, Piercey MF, Hoffmann WP, Hyslop DK, Franklin S, Porsolt RD, Bonsignori A, Carfagna N, McArthur RA.: Reboxetine: a pharmacologically potent, selective, and specific norepinephrine reuptake inhibitor. Biol Psychiatry, Volume 47 (9), 2000 Biol Psychiatry 2000 10812041
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Wong IL, Chan KF, Tsang KH, Lam CY, Zhao Y, Chan TH, Chow...
Wong IL, Chan KF, Tsang KH, Lam CY, Zhao Y, Chan TH, Chow LM.
Modulation of multidrug resistance protein 1 (MRP1/ABCC1)-mediated multidrug resistance by bivalent apigenin homodimers... Wong IL, Chan KF, Tsang KH, Lam CY, Zhao Y, Chan TH, Chow LM.: Modulation of multidrug resistance protein 1 (MRP1/ABCC1)-mediated multidrug resistance by bivalent apigenin homodimers and their derivatives. J Med Chem, Volume 52 (17), 2009 J Med Chem 2009 19725578
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Wood MR, Schirripa KM, Kim JJ, Kuduk SD, Chang RK, Di Marco...
Wood MR, Schirripa KM, Kim JJ, Kuduk SD, Chang RK, Di Marco CN, DiPardo RM, Wan BL, Murphy KL, Ransom RW, Chang RS, Holahan MA, Cook JJ, Lemaire W, Mosser SD, Bednar RA, Tang C, Prueksaritanont T, Wallace AA, Mei Q, Yu J, Bohn DL, Clayton FC, Adarayn ED, Sitko GR, Leonard YM, Freidinger RM, Pettibone DJ, Bock MG.
Alpha-hydroxy amides as a novel class of bradykinin B1 selective antagonists. Wood MR, Schirripa KM, Kim JJ, Kuduk SD, Chang RK, Di Marco CN, DiPardo RM, Wan BL, Murphy KL, Ransom RW, Chang RS, Holahan MA, Cook JJ, Lemaire W, Mosser SD, Bednar RA, Tang C, Prueksaritanont T, Wallace AA, Mei Q, Yu J, Bohn DL, Clayton FC, Adarayn ED, Sitko GR, Leonard YM, Freidinger RM, Pettibone DJ, Bock MG.: Alpha-hydroxy amides as a novel class of bradykinin B1 selective antagonists. Bioorg Med Chem Lett, Volume 18 (2), 2008 Bioorg Med Chem Lett 2008 18061443
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Woolford AJ, Day PJ, Bénéton V, Berdini V, Coyle JE,...
Woolford AJ, Day PJ, Bénéton V, Berdini V, Coyle JE, Dudit Y, Grondin P, Huet P, Lee LY, Manas ES, McMenamin RL, Murray CW, Page LW, Patel VK, Potvain F, Rich SJ, Sang Y, Somers DO, Trottet L, Wan Z, Zhang X.
Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated... Woolford AJ, Day PJ, Bénéton V, Berdini V, Coyle JE, Dudit Y, Grondin P, Huet P, Lee LY, Manas ES, McMenamin RL, Murray CW, Page LW, Patel VK, Potvain F, Rich SJ, Sang Y, Somers DO, Trottet L, Wan Z, Zhang X.: Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J Med Chem, Volume 59 (23), 2016 J Med Chem 2016 27933945
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Wortmann L, Lindenthal B, Muhn P, Walter A, Nubbemeyer R,...
Wortmann L, Lindenthal B, Muhn P, Walter A, Nubbemeyer R, Heldmann D, Sobek L, Morandi F, Schrey AK, Moosmayer D, Günther J, Kuhnke J, Koppitz M, Lücking U, Röhn U, Schäfer M, Nowak-Reppel K, Kühne R, Weinmann H, Langer G.
Discovery of BAY-298 and BAY-899: Tetrahydro-1,6-naphthyridine-Based, Potent, and Selective Antagonists of the... Wortmann L, Lindenthal B, Muhn P, Walter A, Nubbemeyer R, Heldmann D, Sobek L, Morandi F, Schrey AK, Moosmayer D, Günther J, Kuhnke J, Koppitz M, Lücking U, Röhn U, Schäfer M, Nowak-Reppel K, Kühne R, Weinmann H, Langer G.: Discovery of BAY-298 and BAY-899: Tetrahydro-1,6-naphthyridine-Based, Potent, and Selective Antagonists of the Luteinizing Hormone Receptor Which Reduce Sex Hormone Levels in Vivo. J Med Chem, Volume 62 (22), 2019 J Med Chem 2019 31670515
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Wright AE, Roth GP, Hoffman JK, Divlianska DB, Pechter D,...
Wright AE, Roth GP, Hoffman JK, Divlianska DB, Pechter D, Sennett SH, Guzmán EA, Linley P, McCarthy PJ, Pitts TP, Pomponi SA, Reed JK.
Isolation, synthesis, and biological activity of aphrocallistin, an adenine-substituted bromotyramine metabolite from... Wright AE, Roth GP, Hoffman JK, Divlianska DB, Pechter D, Sennett SH, Guzmán EA, Linley P, McCarthy PJ, Pitts TP, Pomponi SA, Reed JK.: Isolation, synthesis, and biological activity of aphrocallistin, an adenine-substituted bromotyramine metabolite from the Hexactinellida sponge Aphrocallistes beatrix. J Nat Prod, Volume 72 (6), 2009 J Nat Prod 2009 19459694
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Wrobleski ST, Moslin R, Lin S, Zhang Y, Spergel S, Kempson...
Wrobleski ST, Moslin R, Lin S, Zhang Y, Spergel S, Kempson J, Tokarski JS, Strnad J, Zupa-Fernandez A, Cheng L, Shuster D, Gillooly K, Yang X, Heimrich E, McIntyre KW, Chaudhry C, Khan J, Ruzanov M, Tredup J, Mulligan D, Xie D, Sun H, Huang C, D'Arienzo C, Aranibar N, Chiney M, Chimalakonda A, Pitts WJ, Lombardo L, Carter PH, Burke JR, Weinstein DS.
Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the... Wrobleski ST, Moslin R, Lin S, Zhang Y, Spergel S, Kempson J, Tokarski JS, Strnad J, Zupa-Fernandez A, Cheng L, Shuster D, Gillooly K, Yang X, Heimrich E, McIntyre KW, Chaudhry C, Khan J, Ruzanov M, Tredup J, Mulligan D, Xie D, Sun H, Huang C, D'Arienzo C, Aranibar N, Chiney M, Chimalakonda A, Pitts WJ, Lombardo L, Carter PH, Burke JR, Weinstein DS.: Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165. J Med Chem, Volume 62 (20), 2019 J Med Chem 2019 31318208
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Wu B, Boschelli DH, Lee J, Yang X, Chaudhary D.
Wu B, Boschelli DH, Lee J, Yang X, Chaudhary D.
Second generation 4-(4-methyl-1H-indol-5-ylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile PKCtheta inhibitors. Wu B, Boschelli DH, Lee J, Yang X, Chaudhary D.: Second generation 4-(4-methyl-1H-indol-5-ylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile PKCtheta inhibitors. Bioorg Med Chem Lett, Volume 19 (3), 2009 Bioorg Med Chem Lett 2009 19111463
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Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A,...
Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.
Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human... Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009 Bioorg Med Chem Lett 2009 19464884
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Wu L, Lu K, Packiarajan M, Jubian V, Chandrasena G,...
Wu L, Lu K, Packiarajan M, Jubian V, Chandrasena G, Wolinsky TC, Walker MW.
Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists. Wu L, Lu K, Packiarajan M, Jubian V, Chandrasena G, Wolinsky TC, Walker MW.: Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists. Bioorg Med Chem Lett, Volume 22 (6), 2012 Bioorg Med Chem Lett 2012 22361135
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Wu L, Zhang C, He C, Qian D, Lu L, Sun Y, Xu M, Zhuo J, Liu...
Wu L, Zhang C, He C, Qian D, Lu L, Sun Y, Xu M, Zhuo J, Liu PCC, Klabe R, Wynn R, Covington M, Gallagher K, Leffet L, Bowman K, Diamond S, Koblish H, Zhang Y, Soloviev M, Hollis G, Burn TC, Scherle P, Yeleswaram S, Huber R, Yao W.
Discovery of Pemigatinib: A Potent and Selective Fibroblast Growth Factor Receptor (FGFR) Inhibitor. Wu L, Zhang C, He C, Qian D, Lu L, Sun Y, Xu M, Zhuo J, Liu PCC, Klabe R, Wynn R, Covington M, Gallagher K, Leffet L, Bowman K, Diamond S, Koblish H, Zhang Y, Soloviev M, Hollis G, Burn TC, Scherle P, Yeleswaram S, Huber R, Yao W.: Discovery of Pemigatinib: A Potent and Selective Fibroblast Growth Factor Receptor (FGFR) Inhibitor. J Med Chem, Volume 64 (15), 2021 J Med Chem 2021 34269576
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Wu LX, Guo CX, Chen WQ, Yu J, Qu Q, Chen Y, Tan ZR, Wang G,...
Wu LX, Guo CX, Chen WQ, Yu J, Qu Q, Chen Y, Tan ZR, Wang G, Fan L, Li Q, Zhang W, Zhou HH.
Inhibition of the organic anion-transporting polypeptide 1B1 by quercetin: an in vitro and in vivo assessment. Wu LX, Guo CX, Chen WQ, Yu J, Qu Q, Chen Y, Tan ZR, Wang G, Fan L, Li Q, Zhang W, Zhou HH.: Inhibition of the organic anion-transporting polypeptide 1B1 by quercetin: an in vitro and in vivo assessment. Br J Clin Pharmacol, Volume 73 (5), 2012 Br J Clin Pharmacol 2012 22114872
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Wu NC, Chiang CH, Lee AR.
Wu NC, Chiang CH, Lee AR.
Studies of carbonic anhydrase inhibitors: physicochemical properties and bioactivities of new thiadiazole derivatives. Wu NC, Chiang CH, Lee AR.: Studies of carbonic anhydrase inhibitors: physicochemical properties and bioactivities of new thiadiazole derivatives. J Ocul Pharmacol, Volume 9 (2), 97-108, 1993 J Ocul Pharmacol 1993 8345292
Total substances: 9
Total passive interactions: 9
Total active interactions: 0
Wu Q, Chen P, Tu G, Li M, Pan B, Guo Y, Zhai J, Fu H.
Wu Q, Chen P, Tu G, Li M, Pan B, Guo Y, Zhai J, Fu H.
Synthesis and evaluation of panaxatriol derivatives as Na+, K+-ATPase inhibitors. Wu Q, Chen P, Tu G, Li M, Pan B, Guo Y, Zhai J, Fu H.: Synthesis and evaluation of panaxatriol derivatives as Na+, K+-ATPase inhibitors. Bioorg Med Chem Lett, Volume 28 (17), 2018 Bioorg Med Chem Lett 2018 30049579
Total substances: 2
Total passive interactions: 0
Total active interactions: 9
Wu Q, Young B, Wang Y, Davidoff AM, Rankovic Z, Yang J.
Wu Q, Young B, Wang Y, Davidoff AM, Rankovic Z, Yang J.
Recent Advances with KDM4 Inhibitors and Potential Applications. Wu Q, Young B, Wang Y, Davidoff AM, Rankovic Z, Yang J.: Recent Advances with KDM4 Inhibitors and Potential Applications. J Med Chem, Volume 65 (14), 2022 J Med Chem 2022 35838529
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Wu T, Nagle A, Kuhen K, Gagaring K, Borboa R, Francek C,...
Wu T, Nagle A, Kuhen K, Gagaring K, Borboa R, Francek C, Chen Z, Plouffe D, Goh A, Lakshminarayana SB, Wu J, Ang HQ, Zeng P, Kang ML, Tan W, Tan M, Ye N, Lin X, Caldwell C, Ek J, Skolnik S, Liu F, Wang J, Chang J, Li C, Hollenbeck T, Tuntland T, Isbell J, Fischli C, Brun R, Rottmann M, Dartois V, Keller T, Diagana T, Winzeler E, Glynne R, Tully DC, Chatterjee AK.
Imidazolopiperazines: hit to lead optimization of new antimalarial agents. Wu T, Nagle A, Kuhen K, Gagaring K, Borboa R, Francek C, Chen Z, Plouffe D, Goh A, Lakshminarayana SB, Wu J, Ang HQ, Zeng P, Kang ML, Tan W, Tan M, Ye N, Lin X, Caldwell C, Ek J, Skolnik S, Liu F, Wang J, Chang J, Li C, Hollenbeck T, Tuntland T, Isbell J, Fischli C, Brun R, Rottmann M, Dartois V, Keller T, Diagana T, Winzeler E, Glynne R, Tully DC, Chatterjee AK.: Imidazolopiperazines: hit to lead optimization of new antimalarial agents. J Med Chem, Volume 54 (14), 2011 J Med Chem 2011 21644570
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Wu W, Li Z, Yang G, Teng M, Qin J, Hu Z, Hou L, Shen L,...
Wu W, Li Z, Yang G, Teng M, Qin J, Hu Z, Hou L, Shen L, Dong H, Zhang Y, Li J, Chen S, Tian J, Zhang J, Ye L.
The discovery of tetrahydropyridine analogs as hNav1.7 selective inhibitors for analgesia. Wu W, Li Z, Yang G, Teng M, Qin J, Hu Z, Hou L, Shen L, Dong H, Zhang Y, Li J, Chen S, Tian J, Zhang J, Ye L.: The discovery of tetrahydropyridine analogs as hNav1.7 selective inhibitors for analgesia. Bioorg Med Chem Lett, Volume 27 (10), 2017 Bioorg Med Chem Lett 2017 28385504
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Total passive interactions: 0
Total active interactions: 0
Wu X, Huang W, Ganapathy ME, Wang H, Kekuda R, Conway SJ,...
Wu X, Huang W, Ganapathy ME, Wang H, Kekuda R, Conway SJ, Leibach FH, Ganapathy V.
Structure, function, and regional distribution of the organic cation transporter OCT3 in the kidney. Wu X, Huang W, Ganapathy ME, Wang H, Kekuda R, Conway SJ, Leibach FH, Ganapathy V.: Structure, function, and regional distribution of the organic cation transporter OCT3 in the kidney. Am J Physiol Renal Physiol, Volume 279 (3), 2000 Am J Physiol Renal Physiol 2000 10966924
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Wu X, Ohrngren P, Joshi AA, Trejos A, Persson M, Arvela RK,...
Wu X, Ohrngren P, Joshi AA, Trejos A, Persson M, Arvela RK, Wallberg H, Vrang L, Rosenquist A, Samuelsson BB, Unge J, Larhed M.
Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease... Wu X, Ohrngren P, Joshi AA, Trejos A, Persson M, Arvela RK, Wallberg H, Vrang L, Rosenquist A, Samuelsson BB, Unge J, Larhed M.: Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease inhibitors. J Med Chem, Volume 55 (6), 2012 J Med Chem 2012 22376008
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Wu Y, Aquino CJ, Cowan DJ, Anderson DL, Ambroso JL, Bishop...
Wu Y, Aquino CJ, Cowan DJ, Anderson DL, Ambroso JL, Bishop MJ, Boros EE, Chen L, Cunningham A, Dobbins RL, Feldman PL, Harston LT, Kaldor IW, Klein R, Liang X, McIntyre MS, Merrill CL, Patterson KM, Prescott JS, Ray JS, Roller SG, Yao X, Young A, Yuen J, Collins JL.
Discovery of a highly potent, nonabsorbable apical sodium-dependent bile acid transporter inhibitor (GSK2330672) for... Wu Y, Aquino CJ, Cowan DJ, Anderson DL, Ambroso JL, Bishop MJ, Boros EE, Chen L, Cunningham A, Dobbins RL, Feldman PL, Harston LT, Kaldor IW, Klein R, Liang X, McIntyre MS, Merrill CL, Patterson KM, Prescott JS, Ray JS, Roller SG, Yao X, Young A, Yuen J, Collins JL.: Discovery of a highly potent, nonabsorbable apical sodium-dependent bile acid transporter inhibitor (GSK2330672) for treatment of type 2 diabetes. J Med Chem, Volume 56 (12), 2013 J Med Chem 2013 23678871
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Total passive interactions: 0
Total active interactions: 1
Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q,...
Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.
Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015 Bioorg Med Chem Lett 2015 25958244
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Wu Y, Jiang Z, Li Z, Gu J, You Q, Zhang X.
Wu Y, Jiang Z, Li Z, Gu J, You Q, Zhang X.
Click Chemistry-Based Discovery of [3-Hydroxy-5-(1 H-1,2,3-triazol-4-yl)picolinoyl]glycines as Orally Active... Wu Y, Jiang Z, Li Z, Gu J, You Q, Zhang X.: Click Chemistry-Based Discovery of [3-Hydroxy-5-(1 H-1,2,3-triazol-4-yl)picolinoyl]glycines as Orally Active Hypoxia-Inducing Factor Prolyl Hydroxylase Inhibitors with Favorable Safety Profiles for the Treatment of Anemia. J Med Chem, Volume 61 (12), 2018 J Med Chem 2018 29856623
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Wu Y, Kuntz JD, Carpenter AJ, Fang J, Sauls HR, Gomez DJ,...
Wu Y, Kuntz JD, Carpenter AJ, Fang J, Sauls HR, Gomez DJ, Ammala C, Xu Y, Hart S, Tadepalli S.
2,5-Disubstituted pyridines as potent GPR119 agonists. Wu Y, Kuntz JD, Carpenter AJ, Fang J, Sauls HR, Gomez DJ, Ammala C, Xu Y, Hart S, Tadepalli S.: 2,5-Disubstituted pyridines as potent GPR119 agonists. Bioorg Med Chem Lett, Volume 20 (8), 2010 Bioorg Med Chem Lett 2010 20227877
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Wu Y, Stefl M, Olzyńska A, Hof M, Yahioglu G, Yip P, Casey...
Wu Y, Stefl M, Olzyńska A, Hof M, Yahioglu G, Yip P, Casey DR, Ces O, Humpolíčková J, Kuimova MK.
Molecular rheometry: direct determination of viscosity in Lo and Ld lipid phases via fluorescence lifetime imaging. Wu Y, Stefl M, Olzyńska A, Hof M, Yahioglu G, Yip P, Casey DR, Ces O, Humpolíčková J, Kuimova MK.: Molecular rheometry: direct determination of viscosity in Lo and Ld lipid phases via fluorescence lifetime imaging. Phys Chem Chem Phys, Volume 15 (36), 14986-14993, 2013 Phys Chem Chem Phys 2013 23912893
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A,...
Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.
Discovery of non-zwitterionic aryl sulfonamides as Nav1.7 inhibitors with efficacy in preclinical behavioral... Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Nav1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017 Bioorg Med Chem 2017 28818462
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Wu YJ, Guernon J, Rajamani R, Toyn JH, Ahlijanian MK,...
Wu YJ, Guernon J, Rajamani R, Toyn JH, Ahlijanian MK, Albright CF, Muckelbauer J, Chang C, Camac D, Macor JE, Thompson LA.
Discovery of furo[2,3-d][1,3]thiazinamines as beta amyloid cleaving enzyme-1 (BACE1) inhibitors. Wu YJ, Guernon J, Rajamani R, Toyn JH, Ahlijanian MK, Albright CF, Muckelbauer J, Chang C, Camac D, Macor JE, Thompson LA.: Discovery of furo[2,3-d][1,3]thiazinamines as beta amyloid cleaving enzyme-1 (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 26 (23), 2016 Bioorg Med Chem Lett 2016 27816517
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Wu YJ, Guernon J, Shi J, Ditta J, Robbins KJ, Rajamani R,...
Wu YJ, Guernon J, Shi J, Ditta J, Robbins KJ, Rajamani R, Easton A, Newton A, Bourin C, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Bristow LJ, Meanwell NA, Olson R, Thompson LA, Dzierba C.
Development of New Benzenesulfonamides As Potent and Selective Nav1.7 Inhibitors for the Treatment of Pain. Wu YJ, Guernon J, Shi J, Ditta J, Robbins KJ, Rajamani R, Easton A, Newton A, Bourin C, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Bristow LJ, Meanwell NA, Olson R, Thompson LA, Dzierba C.: Development of New Benzenesulfonamides As Potent and Selective Nav1.7 Inhibitors for the Treatment of Pain. J Med Chem, Volume 60 (6), 2017 J Med Chem 2017 28234467
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Wu YJ, Venables B, Guernon J, Chen J, Sit SY, Rajamani R,...
Wu YJ, Venables B, Guernon J, Chen J, Sit SY, Rajamani R, Knox RJ, Matchett M, Pieschl RL, Herrington J, Bristow LJ, Meanwell NA, Thompson LA, Dzierba C.
Discovery of new indole-based acylsulfonamide Nav1.7 inhibitors. Wu YJ, Venables B, Guernon J, Chen J, Sit SY, Rajamani R, Knox RJ, Matchett M, Pieschl RL, Herrington J, Bristow LJ, Meanwell NA, Thompson LA, Dzierba C.: Discovery of new indole-based acylsulfonamide Nav1.7 inhibitors. Bioorg Med Chem Lett, Volume 29 (4), 2019 Bioorg Med Chem Lett 2019 30638874
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Wucherer-Plietker M, Merkul E, Müller TJJ, Esdar C,...
Wucherer-Plietker M, Merkul E, Müller TJJ, Esdar C, Knöchel T, Heinrich T, Buchstaller HP, Greiner H, Dorsch D, Finsinger D, Calderini M, Bruge D, Grädler U.
Discovery of novel 7-azaindoles as PDK1 inhibitors. Wucherer-Plietker M, Merkul E, Müller TJJ, Esdar C, Knöchel T, Heinrich T, Buchstaller HP, Greiner H, Dorsch D, Finsinger D, Calderini M, Bruge D, Grädler U.: Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg Med Chem Lett, Volume 26 (13), 2016 Bioorg Med Chem Lett 2016 27217002
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Wurtz NR, Johnson JA, Viet A, Shirude PS, Baligar V,...
Wurtz NR, Johnson JA, Viet A, Shirude PS, Baligar V, Madduri S, Cheney DL, Park H, Lupisella JA, Hsu MY, Abousleiman M, Galella MA, Aulakh D, Dierks EA, Garcia RA, Ostrowski J, Kick EK, Wexler RR.
Discovery of Heteroaryl Urea Isosteres for Formyl Peptide Receptor 2 Agonists. Wurtz NR, Johnson JA, Viet A, Shirude PS, Baligar V, Madduri S, Cheney DL, Park H, Lupisella JA, Hsu MY, Abousleiman M, Galella MA, Aulakh D, Dierks EA, Garcia RA, Ostrowski J, Kick EK, Wexler RR.: Discovery of Heteroaryl Urea Isosteres for Formyl Peptide Receptor 2 Agonists. ACS Med Chem Lett, Volume 13 (6), 2022 ACS Med Chem Lett 2022 35707160
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Wurtz NR, Parkhurst BL, DeLucca I, Glunz PW, Jiang W, Zhang...
Wurtz NR, Parkhurst BL, DeLucca I, Glunz PW, Jiang W, Zhang X, Cheney DL, Bozarth JM, Rendina AR, Wei A, Harper T, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.
Neutral macrocyclic factor VIIa inhibitors. Wurtz NR, Parkhurst BL, DeLucca I, Glunz PW, Jiang W, Zhang X, Cheney DL, Bozarth JM, Rendina AR, Wei A, Harper T, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Neutral macrocyclic factor VIIa inhibitors. Bioorg Med Chem Lett, Volume 27 (12), 2017 Bioorg Med Chem Lett 2017 28460818
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Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X,...
Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.
Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016 ACS Med Chem Lett 2016 27994741
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Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan...
Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.
Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents... Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017 Eur J Med Chem 2017 28242549
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Xia G, Benmohamed R, Kim J, Arvanites AC, Morimoto RI,...
Xia G, Benmohamed R, Kim J, Arvanites AC, Morimoto RI, Ferrante RJ, Kirsch DR, Silverman RB.
Pyrimidine-2,4,6-trione derivatives and their inhibition of mutant SOD1-dependent protein aggregation. Toward a... Xia G, Benmohamed R, Kim J, Arvanites AC, Morimoto RI, Ferrante RJ, Kirsch DR, Silverman RB.: Pyrimidine-2,4,6-trione derivatives and their inhibition of mutant SOD1-dependent protein aggregation. Toward a treatment for amyotrophic lateral sclerosis. J Med Chem, Volume 54 (7), 2011 J Med Chem 2011 21375347
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Xia Y, Chackalamannil S, Greenlee WJ, Wang Y, Hu Z, Root Y,...
Xia Y, Chackalamannil S, Greenlee WJ, Wang Y, Hu Z, Root Y, Wong J, Kong J, Ahn HS, Boykow G, Hsieh Y, Kurowski S, Chintala M.
Discovery of a vorapaxar analog with increased aqueous solubility. Xia Y, Chackalamannil S, Greenlee WJ, Wang Y, Hu Z, Root Y, Wong J, Kong J, Ahn HS, Boykow G, Hsieh Y, Kurowski S, Chintala M.: Discovery of a vorapaxar analog with increased aqueous solubility. Bioorg Med Chem Lett, Volume 20 (22), 2010 Bioorg Med Chem Lett 2010 20888225
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Xiang TX, Anderson BD.
Xiang TX, Anderson BD.
The relationship between permeant size and permeability in lipid bilayer membranes. Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994 J Membr Biol 1994 7932645
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Xiang Y, Hirth B, Kane JL, Liao J, Noson KD, Yee C,...
Xiang Y, Hirth B, Kane JL, Liao J, Noson KD, Yee C, Asmussen G, Fitzgerald M, Klaus C, Booker M.
Discovery of novel sphingosine kinase-1 inhibitors. Part 2. Xiang Y, Hirth B, Kane JL, Liao J, Noson KD, Yee C, Asmussen G, Fitzgerald M, Klaus C, Booker M.: Discovery of novel sphingosine kinase-1 inhibitors. Part 2. Bioorg Med Chem Lett, Volume 20 (15), 2010 Bioorg Med Chem Lett 2010 20598880
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Xiao D, Zhu X, Sofolarides M, Degrado S, Shao N, Rao A,...
Xiao D, Zhu X, Sofolarides M, Degrado S, Shao N, Rao A, Chen X, Aslanian R, Fossetta J, Tian F, Trivedi P, Lundell D, Palani A.
Discovery of a novel series of potent MK2 non-ATP competitive inhibitors using 1,2-substituted azoles as cis-amide... Xiao D, Zhu X, Sofolarides M, Degrado S, Shao N, Rao A, Chen X, Aslanian R, Fossetta J, Tian F, Trivedi P, Lundell D, Palani A.: Discovery of a novel series of potent MK2 non-ATP competitive inhibitors using 1,2-substituted azoles as cis-amide isosteres. Bioorg Med Chem Lett, Volume 24 (15), 2014 Bioorg Med Chem Lett 2014 24913714
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Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X,...
Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.
Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the... Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (3), 2017 Bioorg Med Chem 2017 28011206
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Xiao HY, Li N, Duan JJ, Jiang B, Lu Z, Ngu K, Tino J,...
Xiao HY, Li N, Duan JJ, Jiang B, Lu Z, Ngu K, Tino J, Kopcho LM, Lu H, Chen J, Tebben AJ, Sheriff S, Chang CY, Yanchunas J, Calambur D, Gao M, Shuster DJ, Susulic V, Xie JH, Guarino VR, Wu DR, Gregor KR, Goldstine CB, Hynes J, Macor JE, Salter-Cid L, Burke JR, Shaw PJ, Dhar TGM.
Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNFα Identified Using Scaffold Hopping and... Xiao HY, Li N, Duan JJ, Jiang B, Lu Z, Ngu K, Tino J, Kopcho LM, Lu H, Chen J, Tebben AJ, Sheriff S, Chang CY, Yanchunas J, Calambur D, Gao M, Shuster DJ, Susulic V, Xie JH, Guarino VR, Wu DR, Gregor KR, Goldstine CB, Hynes J, Macor JE, Salter-Cid L, Burke JR, Shaw PJ, Dhar TGM.: Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNFα Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches. J Med Chem, Volume 63 (23), 2020 J Med Chem 2020 33261314
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Xiao HY, Watterson SH, Langevine CM, Srivastava AS, Ko SS,...
Xiao HY, Watterson SH, Langevine CM, Srivastava AS, Ko SS, Zhang Y, Cherney RJ, Guo WW, Gilmore JL, Sheppeck JE, Wu DR, Li P, Ramasamy D, Arunachalam P, Mathur A, Taylor TL, Shuster DJ, McIntyre KW, Shen DR, Yarde M, Cvijic ME, Marino AM, Balimane PV, Yang Z, Banas DM, Cornelius G, D'Arienzo CJ, Warrack BM, Lehman-McKeeman L, Salter-Cid LM, Xie J, Barrish JC, Carter PH, Dyckman AJ, Dhar TG.
Identification of Tricyclic Agonists of Sphingosine-1-phosphate Receptor 1 (S1P1) Employing Ligand-Based... Xiao HY, Watterson SH, Langevine CM, Srivastava AS, Ko SS, Zhang Y, Cherney RJ, Guo WW, Gilmore JL, Sheppeck JE, Wu DR, Li P, Ramasamy D, Arunachalam P, Mathur A, Taylor TL, Shuster DJ, McIntyre KW, Shen DR, Yarde M, Cvijic ME, Marino AM, Balimane PV, Yang Z, Banas DM, Cornelius G, D'Arienzo CJ, Warrack BM, Lehman-McKeeman L, Salter-Cid LM, Xie J, Barrish JC, Carter PH, Dyckman AJ, Dhar TG.: Identification of Tricyclic Agonists of Sphingosine-1-phosphate Receptor 1 (S1P1) Employing Ligand-Based Drug Design. J Med Chem, Volume 59 (21), 2016 J Med Chem 2016 27726358
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Xiao J, Free RB, Barnaeva E, Conroy JL, Doyle T, Miller B,...
Xiao J, Free RB, Barnaeva E, Conroy JL, Doyle T, Miller B, Bryant-Genevier M, Taylor MK, Hu X, Dulcey AE, Southall N, Ferrer M, Titus S, Zheng W, Sibley DR, Marugan JJ.
Discovery, optimization, and characterization of novel D2 dopamine receptor selective antagonists. Xiao J, Free RB, Barnaeva E, Conroy JL, Doyle T, Miller B, Bryant-Genevier M, Taylor MK, Hu X, Dulcey AE, Southall N, Ferrer M, Titus S, Zheng W, Sibley DR, Marugan JJ.: Discovery, optimization, and characterization of novel D2 dopamine receptor selective antagonists. J Med Chem, Volume 57 (8), 2014 J Med Chem 2014 24666157
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Xiao J, Marugan JJ, Zheng W, Titus S, Southall N, Cherry...
Xiao J, Marugan JJ, Zheng W, Titus S, Southall N, Cherry JJ, Evans M, Androphy EJ, Austin CP.
Discovery, synthesis, and biological evaluation of novel SMN protein modulators. Xiao J, Marugan JJ, Zheng W, Titus S, Southall N, Cherry JJ, Evans M, Androphy EJ, Austin CP.: Discovery, synthesis, and biological evaluation of novel SMN protein modulators. J Med Chem, Volume 54 (18), 2011 J Med Chem 2011 21819082
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Xiao J, Westbroek W, Motabar O, Lea WA, Hu X, Velayati A,...
Xiao J, Westbroek W, Motabar O, Lea WA, Hu X, Velayati A, Zheng W, Southall N, Gustafson AM, Goldin E, Sidransky E, Liu K, Simeonov A, Tamargo RJ, Ribes A, Matalonga L, Ferrer M, Marugan JJ.
Discovery of a novel noniminosugar acid α glucosidase chaperone series. Xiao J, Westbroek W, Motabar O, Lea WA, Hu X, Velayati A, Zheng W, Southall N, Gustafson AM, Goldin E, Sidransky E, Liu K, Simeonov A, Tamargo RJ, Ribes A, Matalonga L, Ferrer M, Marugan JJ.: Discovery of a novel noniminosugar acid α glucosidase chaperone series. J Med Chem, Volume 55 (17), 2012 J Med Chem 2012 22834902
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Xiao X, Wu J, Trigili C, Chen H, Chu JW, Zhao Y, Lu P,...
Xiao X, Wu J, Trigili C, Chen H, Chu JW, Zhao Y, Lu P, Sheng L, Li Y, Sharom FJ, Barasoain I, Diaz JF, Fang WS.
Effects of C7 substitutions in a high affinity microtubule-binding taxane on antitumor activity and drug transport. Xiao X, Wu J, Trigili C, Chen H, Chu JW, Zhao Y, Lu P, Sheng L, Li Y, Sharom FJ, Barasoain I, Diaz JF, Fang WS.: Effects of C7 substitutions in a high affinity microtubule-binding taxane on antitumor activity and drug transport. Bioorg Med Chem Lett, Volume 21 (16), 2011 Bioorg Med Chem Lett 2011 21764308
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Xiao Y, Karra S, Goutopoulos A, Morse NT, Zhang S, Dhanabal...
Xiao Y, Karra S, Goutopoulos A, Morse NT, Zhang S, Dhanabal M, Tian H, Seenisamy J, Jayadevan J, Caldwell R, Potnick J, Bleich M, Chekler E, Sherer B, Sriraman V.
Synthesis and SAR development of quinoline analogs as novel P2X7 receptor antagonists. Xiao Y, Karra S, Goutopoulos A, Morse NT, Zhang S, Dhanabal M, Tian H, Seenisamy J, Jayadevan J, Caldwell R, Potnick J, Bleich M, Chekler E, Sherer B, Sriraman V.: Synthesis and SAR development of quinoline analogs as novel P2X7 receptor antagonists. Bioorg Med Chem Lett, Volume 29 (13), 2019 Bioorg Med Chem Lett 2019 31031055
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Xie S, Chen J, Li X, Su T, Wang Y, Wang Z, Huang L, Li X.
Xie S, Chen J, Li X, Su T, Wang Y, Wang Z, Huang L, Li X.
Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator... Xie S, Chen J, Li X, Su T, Wang Y, Wang Z, Huang L, Li X.: Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator against Alzheimer's disease. Bioorg Med Chem, Volume 23 (13), 2015 Bioorg Med Chem 2015 25934229
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Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang...
Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.
Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the... Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016 Bioorg Med Chem 2016 26917219
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Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD,...
Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.
Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant,... Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015 Eur J Med Chem 2015 25656088
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Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong...
Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.
Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's... Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015 Eur J Med Chem 2015 25812965
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Xin Z, Liu G, Abad-Zapatero C, Pei Z, Szczepankiewicz BG,...
Xin Z, Liu G, Abad-Zapatero C, Pei Z, Szczepankiewicz BG, Li X, Zhang T, Hutchins CW, Hajduk PJ, Ballaron SJ, Stashko MA, Lubben TH, Trevillyan JM, Jirousek MR.
Identification of a monoacid-based, cell permeable, selective inhibitor of protein tyrosine phosphatase 1B. Xin Z, Liu G, Abad-Zapatero C, Pei Z, Szczepankiewicz BG, Li X, Zhang T, Hutchins CW, Hajduk PJ, Ballaron SJ, Stashko MA, Lubben TH, Trevillyan JM, Jirousek MR.: Identification of a monoacid-based, cell permeable, selective inhibitor of protein tyrosine phosphatase 1B. Bioorg Med Chem Lett, Volume 13 (22), 2003 Bioorg Med Chem Lett 2003 14592481
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Xin Z, Peng H, Zhang A, Talreja T, Kumaravel G, Xu L, Rohde...
Xin Z, Peng H, Zhang A, Talreja T, Kumaravel G, Xu L, Rohde E, Jung MY, Shackett MN, Kocisko D, Chollate S, Dunah AW, Snodgrass-Belt PA, Arnold HM, Taveras AG, Rhodes KJ, Scannevin RH.
Discovery of 4-aminomethylphenylacetic acids as γ-secretase modulators via a scaffold design approach. Xin Z, Peng H, Zhang A, Talreja T, Kumaravel G, Xu L, Rohde E, Jung MY, Shackett MN, Kocisko D, Chollate S, Dunah AW, Snodgrass-Belt PA, Arnold HM, Taveras AG, Rhodes KJ, Scannevin RH.: Discovery of 4-aminomethylphenylacetic acids as γ-secretase modulators via a scaffold design approach. Bioorg Med Chem Lett, Volume 21 (24), 2011 Bioorg Med Chem Lett 2011 22061640
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Xiong H, Kang J, Woods JM, McCauley JP, Koether GM, Albert...
Xiong H, Kang J, Woods JM, McCauley JP, Koether GM, Albert JS, Hinkley L, Li Y, Gadient RA, Simpson TR.
Synthesis and SAR of sulfoxide substituted carboxyquinolines as NK3 receptor antagonists. Xiong H, Kang J, Woods JM, McCauley JP, Koether GM, Albert JS, Hinkley L, Li Y, Gadient RA, Simpson TR.: Synthesis and SAR of sulfoxide substituted carboxyquinolines as NK3 receptor antagonists. Bioorg Med Chem Lett, Volume 21 (6), 2011 Bioorg Med Chem Lett 2011 21320776
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Xu B, Feng Y, Cheng H, Song Y, Lv B, Wu Y, Wang C, Li S, Xu...
Xu B, Feng Y, Cheng H, Song Y, Lv B, Wu Y, Wang C, Li S, Xu M, Du J, Peng K, Dong J, Zhang W, Zhang T, Zhu L, Ding H, Sheng Z, Welihinda A, Roberge JY, Seed B, Chen Y.
C-aryl glucosides substituted at the 4'-position as potent and selective renal sodium-dependent glucose co-transporter... Xu B, Feng Y, Cheng H, Song Y, Lv B, Wu Y, Wang C, Li S, Xu M, Du J, Peng K, Dong J, Zhang W, Zhang T, Zhu L, Ding H, Sheng Z, Welihinda A, Roberge JY, Seed B, Chen Y.: C-aryl glucosides substituted at the 4'-position as potent and selective renal sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes. Bioorg Med Chem Lett, Volume 21 (15), 2011 Bioorg Med Chem Lett 2011 21737266
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Xu G, Lv B, Roberge JY, Xu B, Du J, Dong J, Chen Y, Peng K,...
Xu G, Lv B, Roberge JY, Xu B, Du J, Dong J, Chen Y, Peng K, Zhang L, Tang X, Feng Y, Xu M, Fu W, Zhang W, Zhu L, Deng Z, Sheng Z, Welihinda A, Sun X.
Design, synthesis, and biological evaluation of deuterated C-aryl glycoside as a potent and long-acting renal... Xu G, Lv B, Roberge JY, Xu B, Du J, Dong J, Chen Y, Peng K, Zhang L, Tang X, Feng Y, Xu M, Fu W, Zhang W, Zhu L, Deng Z, Sheng Z, Welihinda A, Sun X.: Design, synthesis, and biological evaluation of deuterated C-aryl glycoside as a potent and long-acting renal sodium-dependent glucose cotransporter 2 inhibitor for the treatment of type 2 diabetes. J Med Chem, Volume 57 (4), 2014 J Med Chem 2014 24456245
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Xu J, Lin S, Myers RW, Addona G, Berger JP, Campbell B,...
Xu J, Lin S, Myers RW, Addona G, Berger JP, Campbell B, Chen HS, Chen Z, Eiermann GJ, Elowe NH, Farrer BT, Feng W, Fu Q, Kats-Kagan R, Kavana M, Malkani S, McMasters DR, Mitra K, Pachanski MJ, Tong X, Trujillo ME, Xu L, Zhang B, Zhang F, Zhang R, Parmee ER.
Novel, highly potent systemic glucokinase activators for the treatment of Type 2 Diabetes Mellitus. Xu J, Lin S, Myers RW, Addona G, Berger JP, Campbell B, Chen HS, Chen Z, Eiermann GJ, Elowe NH, Farrer BT, Feng W, Fu Q, Kats-Kagan R, Kavana M, Malkani S, McMasters DR, Mitra K, Pachanski MJ, Tong X, Trujillo ME, Xu L, Zhang B, Zhang F, Zhang R, Parmee ER.: Novel, highly potent systemic glucokinase activators for the treatment of Type 2 Diabetes Mellitus. Bioorg Med Chem Lett, Volume 27 (9), 2017 Bioorg Med Chem Lett 2017 28284804
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Xu L, Hartz RA, Beno BR, Ghosh K, Shukla JK, Kumar A, Patel...
Xu L, Hartz RA, Beno BR, Ghosh K, Shukla JK, Kumar A, Patel D, Kalidindi N, Lemos N, Gautam SS, Kumar A, Ellsworth BA, Shah D, Sale H, Cheng D, Regueiro-Ren A.
Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide... Xu L, Hartz RA, Beno BR, Ghosh K, Shukla JK, Kumar A, Patel D, Kalidindi N, Lemos N, Gautam SS, Kumar A, Ellsworth BA, Shah D, Sale H, Cheng D, Regueiro-Ren A.: Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors. J Med Chem, Volume 64 (10), 2021 J Med Chem 2021 33988358
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Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang...
Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.
Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and... Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.: Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and Structure-Activity Relationship Study. J Med Chem, Volume 58 (14), 2015 J Med Chem 2015 26111355
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Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng...
Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.
Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase,... Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018 Bioorg Med Chem 2018 29500132
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Xu W, Wang X-B, Wang Z-M, Wu J-J, Li F, Wang J, Kong L-Y
Xu W, Wang X-B, Wang Z-M, Wu J-J, Li F, Wang J, Kong L-Y
Synthesis and evaluation of donepezil–ferulic acid hybrids as multi-target-directed ligands against Alzheimer's... Xu W, Wang X-B, Wang Z-M, Wu J-J, Li F, Wang J, Kong L-Y: Synthesis and evaluation of donepezil–ferulic acid hybrids as multi-target-directed ligands against Alzheimer's disease. MedChemComm, Volume 7, 990-998, 2016 MedChemComm 2016 10.1039/C6MD000...
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Xu X, Wei Y, Guo Q, Zhao S, Liu Z, Xiao T, Liu Y, Qiu Y,...
Xu X, Wei Y, Guo Q, Zhao S, Liu Z, Xiao T, Liu Y, Qiu Y, Hou Y, Zhang G, Wang K.
Pharmacological Characterization of H05, a Novel Serotonin and Noradrenaline Reuptake Inhibitor with Moderate 5-HT2A... Xu X, Wei Y, Guo Q, Zhao S, Liu Z, Xiao T, Liu Y, Qiu Y, Hou Y, Zhang G, Wang K.: Pharmacological Characterization of H05, a Novel Serotonin and Noradrenaline Reuptake Inhibitor with Moderate 5-HT2A Antagonist Activity for the Treatment of Depression. J Pharmacol Exp Ther, Volume 365 (3), 2018 J Pharmacol Exp Ther 2018 29615471
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Xu XL, Yang YR, Mo XF, Wei JL, Zhang XJ, You QD.
Xu XL, Yang YR, Mo XF, Wei JL, Zhang XJ, You QD.
Design, synthesis, and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering... Xu XL, Yang YR, Mo XF, Wei JL, Zhang XJ, You QD.: Design, synthesis, and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering the hypoxia environment by targeting HIF-1α pathway. Eur J Med Chem, Volume 137, 2017 Eur J Med Chem 2017 28554092
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Xu Y, Wang Y, Zhao M, Hou B, Peng L, Zheng M, Wu J, Peng S.
Xu Y, Wang Y, Zhao M, Hou B, Peng L, Zheng M, Wu J, Peng S.
Lead detoxification activities and ADMET hepatotoxicities of a class of novel... Xu Y, Wang Y, Zhao M, Hou B, Peng L, Zheng M, Wu J, Peng S.: Lead detoxification activities and ADMET hepatotoxicities of a class of novel 5-(1-carbonyl-L-amino-acid)-2,2-dimethyl-[1,3]dithiolane-4-carboxylic acids. Bioorg Med Chem Lett, Volume 21 (6), 2011 Bioorg Med Chem Lett 2011 21316230
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Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD,...
Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.
Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as... Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018 Eur J Med Chem 2018 29172081
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Xu YZ, Yuan S, Bowers S, Hom RK, Chan W, Sham HL, Zhu YL,...
Xu YZ, Yuan S, Bowers S, Hom RK, Chan W, Sham HL, Zhu YL, Beroza P, Pan H, Brecht E, Yao N, Lougheed J, Yan J, Tam D, Ren Z, Ruslim L, Bova MP, Artis DR.
Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors. Xu YZ, Yuan S, Bowers S, Hom RK, Chan W, Sham HL, Zhu YL, Beroza P, Pan H, Brecht E, Yao N, Lougheed J, Yan J, Tam D, Ren Z, Ruslim L, Bova MP, Artis DR.: Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors. Bioorg Med Chem Lett, Volume 23 (10), 2013 Bioorg Med Chem Lett 2013 23570791
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Xue CB, Chen L, Cao G, Zhang K, Wang A, Meloni D, Glenn J,...
Xue CB, Chen L, Cao G, Zhang K, Wang A, Meloni D, Glenn J, Anand R, Xia M, Kong L, Huang T, Feng H, Zheng C, Li M, Galya L, Zhou J, Shin N, Baribaud F, Solomon K, Scherle P, Zhao B, Diamond S, Emm T, Keller D, Contel N, Yeleswaram S, Vaddi K, Hollis G, Newton R, Friedman S, Metcalf B.
Discovery of INCB9471, a Potent, Selective, and Orally Bioavailable CCR5 Antagonist with Potent Anti-HIV-1 Activity. Xue CB, Chen L, Cao G, Zhang K, Wang A, Meloni D, Glenn J, Anand R, Xia M, Kong L, Huang T, Feng H, Zheng C, Li M, Galya L, Zhou J, Shin N, Baribaud F, Solomon K, Scherle P, Zhao B, Diamond S, Emm T, Keller D, Contel N, Yeleswaram S, Vaddi K, Hollis G, Newton R, Friedman S, Metcalf B.: Discovery of INCB9471, a Potent, Selective, and Orally Bioavailable CCR5 Antagonist with Potent Anti-HIV-1 Activity. ACS Med Chem Lett, Volume 1 (9), 2010 ACS Med Chem Lett 2010 24900235
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Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B,...
Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.
Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004 Bioorg Med Chem Lett 2004 15357971
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Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ,...
Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.
Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting... Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003 Bioorg Med Chem Lett 2003 14643313
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Xue CB, Wang A, Han Q, Zhang Y, Cao G, Feng H, Huang T,...
Xue CB, Wang A, Han Q, Zhang Y, Cao G, Feng H, Huang T, Zheng C, Xia M, Zhang K, Kong L, Glenn J, Anand R, Meloni D, Robinson DJ, Shao L, Storace L, Li M, Hughes RO, Devraj R, Morton PA, Rogier DJ, Covington M, Scherle P, Diamond S, Emm T, Yeleswaram S, Contel N, Vaddi K, Newton R, Hollis G, Metcalf B.
Discovery of INCB8761/PF-4136309, a Potent, Selective, and Orally Bioavailable CCR2 Antagonist. Xue CB, Wang A, Han Q, Zhang Y, Cao G, Feng H, Huang T, Zheng C, Xia M, Zhang K, Kong L, Glenn J, Anand R, Meloni D, Robinson DJ, Shao L, Storace L, Li M, Hughes RO, Devraj R, Morton PA, Rogier DJ, Covington M, Scherle P, Diamond S, Emm T, Yeleswaram S, Contel N, Vaddi K, Newton R, Hollis G, Metcalf B.: Discovery of INCB8761/PF-4136309, a Potent, Selective, and Orally Bioavailable CCR2 Antagonist. ACS Med Chem Lett, Volume 2 (12), 2011 ACS Med Chem Lett 2011 24900280
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Xue L, Shi DH, Harjani JR, Huang F, Beveridge JG, Dingjan...
Xue L, Shi DH, Harjani JR, Huang F, Beveridge JG, Dingjan T, Ban K, Diab S, Duffy S, Lucantoni L, Fletcher S, Chiu FCK, Blundell S, Ellis K, Ralph SA, Wirjanata G, Teguh S, Noviyanti R, Chavchich M, Creek D, Price RN, Marfurt J, Charman SA, Cuellar ME, Strasser JM, Dahlin JL, Walters MA, Edstein MD, Avery VM, Baell JB.
3,3'-Disubstituted 5,5'-Bi(1,2,4-triazine) Derivatives with Potent in Vitro and in Vivo Antimalarial Activity. Xue L, Shi DH, Harjani JR, Huang F, Beveridge JG, Dingjan T, Ban K, Diab S, Duffy S, Lucantoni L, Fletcher S, Chiu FCK, Blundell S, Ellis K, Ralph SA, Wirjanata G, Teguh S, Noviyanti R, Chavchich M, Creek D, Price RN, Marfurt J, Charman SA, Cuellar ME, Strasser JM, Dahlin JL, Walters MA, Edstein MD, Avery VM, Baell JB.: 3,3'-Disubstituted 5,5'-Bi(1,2,4-triazine) Derivatives with Potent in Vitro and in Vivo Antimalarial Activity. J Med Chem, Volume 62 (5), 2019 J Med Chem 2019 30715882
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Xue X, Zhang Y, Liu Z, Song M, Xing Y, Xiang Q, Wang Z, Tu...
Xue X, Zhang Y, Liu Z, Song M, Xing Y, Xiang Q, Wang Z, Tu Z, Zhou Y, Ding K, Xu Y.
Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual... Xue X, Zhang Y, Liu Z, Song M, Xing Y, Xiang Q, Wang Z, Tu Z, Zhou Y, Ding K, Xu Y.: Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation. J Med Chem, Volume 59 (4), 2016 J Med Chem 2016 26731490
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Yacovan A, Ozeri R, Kehat T, Mirilashvili S, Sherman D,...
Yacovan A, Ozeri R, Kehat T, Mirilashvili S, Sherman D, Aizikovich A, Shitrit A, Ben-Zeev E, Schutz N, Bohana-Kashtan O, Konson A, Behar V, Becker OM.
1-(sulfonyl)-5-(arylsulfonyl)indoline as activators of the tumor cell specific M2 isoform of pyruvate kinase. Yacovan A, Ozeri R, Kehat T, Mirilashvili S, Sherman D, Aizikovich A, Shitrit A, Ben-Zeev E, Schutz N, Bohana-Kashtan O, Konson A, Behar V, Becker OM.: 1-(sulfonyl)-5-(arylsulfonyl)indoline as activators of the tumor cell specific M2 isoform of pyruvate kinase. Bioorg Med Chem Lett, Volume 22 (20), 2012 Bioorg Med Chem Lett 2012 22963766
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Yamaguchi H, Takeuchi T, Okada M, Kobayashi M, Unno M, Abe...
Yamaguchi H, Takeuchi T, Okada M, Kobayashi M, Unno M, Abe T, Goto J, Hishinuma T, Shimada M, Mano N.
Screening of antibiotics that interact with organic anion-transporting polypeptides 1B1 and 1B3 using fluorescent... Yamaguchi H, Takeuchi T, Okada M, Kobayashi M, Unno M, Abe T, Goto J, Hishinuma T, Shimada M, Mano N.: Screening of antibiotics that interact with organic anion-transporting polypeptides 1B1 and 1B3 using fluorescent probes. Biol Pharm Bull, Volume 34 (3), 2011 Biol Pharm Bull 2011 21372390
Total substances: 23
Total passive interactions: 0
Total active interactions: 40
Yamaguchi-Sasaki T, Kawaguchi T, Okada A, Tokura S,...
Yamaguchi-Sasaki T, Kawaguchi T, Okada A, Tokura S, Tanaka-Yamamoto N, Takeuchi T, Ogata Y, Takahashi R, Kurimoto-Tsuruta R, Tamaoki T, Sugaya Y, Abe-Kumasaka T, Arikawa K, Yoshida I, Sugiyama H, Kanuma K, Yoshinaga M.
Discovery of a potent dual inhibitor of wild-type and mutant respiratory syncytial virus fusion proteins through the... Yamaguchi-Sasaki T, Kawaguchi T, Okada A, Tokura S, Tanaka-Yamamoto N, Takeuchi T, Ogata Y, Takahashi R, Kurimoto-Tsuruta R, Tamaoki T, Sugaya Y, Abe-Kumasaka T, Arikawa K, Yoshida I, Sugiyama H, Kanuma K, Yoshinaga M.: Discovery of a potent dual inhibitor of wild-type and mutant respiratory syncytial virus fusion proteins through the modulation of atropisomer interconversion properties. Bioorg Med Chem, Volume 28 (24), 2020 Bioorg Med Chem 2020 33190073
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Yamamoto T, Niwa S, Ohno S, Onishi T, Matsueda H, Koganei...
Yamamoto T, Niwa S, Ohno S, Onishi T, Matsueda H, Koganei H, Uneyama H, Fujita S, Takeda T, Kito M, Ono Y, Saitou Y, Takahara A, Iwata S, Shoji M.
Structure-activity relationship study of 1,4-dihydropyridine derivatives blocking N-type calcium channels. Yamamoto T, Niwa S, Ohno S, Onishi T, Matsueda H, Koganei H, Uneyama H, Fujita S, Takeda T, Kito M, Ono Y, Saitou Y, Takahara A, Iwata S, Shoji M.: Structure-activity relationship study of 1,4-dihydropyridine derivatives blocking N-type calcium channels. Bioorg Med Chem Lett, Volume 16 (4), 2006 Bioorg Med Chem Lett 2006 16309909
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Yamashita DS, Marquis RW, Xie R, Nidamarthy SD, Oh HJ,...
Yamashita DS, Marquis RW, Xie R, Nidamarthy SD, Oh HJ, Jeong JU, Erhard KF, Ward KW, Roethke TJ, Smith BR, Cheng HY, Geng X, Lin F, Offen PH, Wang B, Nevins N, Head MS, Haltiwanger RC, Narducci Sarjeant AA, Liable-Sands LM, Zhao B, Smith WW, Janson CA, Gao E, Tomaszek T, McQueney M, James IE, Gress CJ, Zembryki DL, Lark MW, Veber DF.
Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. Yamashita DS, Marquis RW, Xie R, Nidamarthy SD, Oh HJ, Jeong JU, Erhard KF, Ward KW, Roethke TJ, Smith BR, Cheng HY, Geng X, Lin F, Offen PH, Wang B, Nevins N, Head MS, Haltiwanger RC, Narducci Sarjeant AA, Liable-Sands LM, Zhao B, Smith WW, Janson CA, Gao E, Tomaszek T, McQueney M, James IE, Gress CJ, Zembryki DL, Lark MW, Veber DF.: Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. J Med Chem, Volume 49 (5), 2006 J Med Chem 2006 16509577
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Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T.,...
Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H.
Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells Yamashita, S., Furubayashi, T., Kataoka, M., Sakane, T., Sezaki, H., Tokuda, H. Optimized conditions for prediction of intestinal drug permeability using Caco-2 cells. Europ. J. Pharm. Sci. 2000, 10(3) 195-204 Europ. J. Pharm. Sci. 2000 10.1016/S0928-0...
Total substances: 16
Total passive interactions: 16
Total active interactions: 0
Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang...
Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.
2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological... Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017 Eur J Med Chem 2017 28624701
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Yan J, Hu J, Liu A, He L, Li X, Wei H.
Yan J, Hu J, Liu A, He L, Li X, Wei H.
Design, synthesis, and evaluation of multitarget-directed ligands against Alzheimer's disease based on the fusion of... Yan J, Hu J, Liu A, He L, Li X, Wei H.: Design, synthesis, and evaluation of multitarget-directed ligands against Alzheimer's disease based on the fusion of donepezil and curcumin. Bioorg Med Chem, Volume 25 (12), 2017 Bioorg Med Chem 2017 28454848
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Yan J, Wang G, Dang X, Guo B, Chen W, Wang T, Zeng L, Wang...
Yan J, Wang G, Dang X, Guo B, Chen W, Wang T, Zeng L, Wang H, Hu Y.
Discovery of a low-systemic-exposure DGAT-1 inhibitor with a picolinoylpyrrolidine-2-carboxylic acid moiety. Yan J, Wang G, Dang X, Guo B, Chen W, Wang T, Zeng L, Wang H, Hu Y.: Discovery of a low-systemic-exposure DGAT-1 inhibitor with a picolinoylpyrrolidine-2-carboxylic acid moiety. Bioorg Med Chem, Volume 25 (17), 2017 Bioorg Med Chem 2017 28739155
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Yang B, Smith DE.
Yang B, Smith DE.
Significance of peptide transporter 1 in the intestinal permeability of valacyclovir in wild-type and PepT1 knockout... Yang B, Smith DE.: Significance of peptide transporter 1 in the intestinal permeability of valacyclovir in wild-type and PepT1 knockout mice. Drug Metab Dispos, Volume 41 (3), 2013 Drug Metab Dispos 2013 23264448
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Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj...
Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.
Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of... Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018 J Med Chem 2018 29683667
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Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C,...
Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.
Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's... Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017 Bioorg Med Chem 2017 28988627
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Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang...
Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.
Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and... Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017 Eur J Med Chem 2017 28728104
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Yang J, Gharagozloo P, Yao J, Ilyin VI, Carter RB, Nguyen...
Yang J, Gharagozloo P, Yao J, Ilyin VI, Carter RB, Nguyen P, Robledo S, Woodward RM, Hogenkamp DJ.
3-(4-phenoxyphenyl)pyrazoles: a novel class of sodium channel blockers. Yang J, Gharagozloo P, Yao J, Ilyin VI, Carter RB, Nguyen P, Robledo S, Woodward RM, Hogenkamp DJ.: 3-(4-phenoxyphenyl)pyrazoles: a novel class of sodium channel blockers. J Med Chem, Volume 47 (6), 2004 J Med Chem 2004 14998340
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Yang JU, Kim S, Lee KC, Lee YJ, Kim JY, Park JA.
Yang JU, Kim S, Lee KC, Lee YJ, Kim JY, Park JA.
Development of Brain-Tumor-Targeted Benzothiazole-Based Boron Complex for Boron Neutron Capture Therapy. Yang JU, Kim S, Lee KC, Lee YJ, Kim JY, Park JA.: Development of Brain-Tumor-Targeted Benzothiazole-Based Boron Complex for Boron Neutron Capture Therapy. ACS Med Chem Lett, Volume 13 (10), 2022 ACS Med Chem Lett 2022 36262402
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Yang MG, Beaudoin-Bertrand M, Xiao Z, Marcoux D, Weigelt...
Yang MG, Beaudoin-Bertrand M, Xiao Z, Marcoux D, Weigelt CA, Yip S, Wu DR, Ruzanov M, Sack JS, Wang J, Yarde M, Li S, Shuster DJ, Xie JH, Sherry T, Obermeier MT, Fura A, Stefanski K, Cornelius G, Khandelwal P, Karmakar A, Basha M, Babu V, Gupta AK, Mathur A, Salter-Cid L, Denton R, Zhao Q, Dhar TGM.
Tricyclic-Carbocyclic RORγt Inverse Agonists-Discovery of BMS-986313. Yang MG, Beaudoin-Bertrand M, Xiao Z, Marcoux D, Weigelt CA, Yip S, Wu DR, Ruzanov M, Sack JS, Wang J, Yarde M, Li S, Shuster DJ, Xie JH, Sherry T, Obermeier MT, Fura A, Stefanski K, Cornelius G, Khandelwal P, Karmakar A, Basha M, Babu V, Gupta AK, Mathur A, Salter-Cid L, Denton R, Zhao Q, Dhar TGM.: Tricyclic-Carbocyclic RORγt Inverse Agonists-Discovery of BMS-986313. J Med Chem, Volume 64 (5), 2021 J Med Chem 2021 33591748
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Yang MG, Xiao Z, Cherney RJ, Tebben AJ, Batt DG, Brown GD,...
Yang MG, Xiao Z, Cherney RJ, Tebben AJ, Batt DG, Brown GD, Chen J, Cvijic ME, Dabros M, Duncia JV, Galella M, Gardner DS, Khandelwal P, Ko SS, Malley MF, Mo R, Pang J, Rose AV, Santella JB, Shi H, Srivastava A, Traeger SC, Wang B, Xu S, Zhao R, Barrish JC, Mandlekar S, Zhao Q, Carter PH.
Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672. Yang MG, Xiao Z, Cherney RJ, Tebben AJ, Batt DG, Brown GD, Chen J, Cvijic ME, Dabros M, Duncia JV, Galella M, Gardner DS, Khandelwal P, Ko SS, Malley MF, Mo R, Pang J, Rose AV, Santella JB, Shi H, Srivastava A, Traeger SC, Wang B, Xu S, Zhao R, Barrish JC, Mandlekar S, Zhao Q, Carter PH.: Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672. ACS Med Chem Lett, Volume 10 (3), 2019 ACS Med Chem Lett 2019 30891130
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Yang MG, Xiao Z, Zhao R, Tebben AJ, Wang B, Cherney RJ,...
Yang MG, Xiao Z, Zhao R, Tebben AJ, Wang B, Cherney RJ, Batt DG, Brown GD, Cvijic ME, Duncia JV, Gallela MA, Gardner DS, Khandelwal P, Malley MF, Pang J, Rose AV, Santella JB, Sarjeant AA, Xu S, Mathur A, Mandlekar S, Vuppugalla R, Zhao Q, Carter PH.
Discovery of BMS-753426: A Potent Orally Bioavailable Antagonist of CC Chemokine Receptor 2. Yang MG, Xiao Z, Zhao R, Tebben AJ, Wang B, Cherney RJ, Batt DG, Brown GD, Cvijic ME, Duncia JV, Gallela MA, Gardner DS, Khandelwal P, Malley MF, Pang J, Rose AV, Santella JB, Sarjeant AA, Xu S, Mathur A, Mandlekar S, Vuppugalla R, Zhao Q, Carter PH.: Discovery of BMS-753426: A Potent Orally Bioavailable Antagonist of CC Chemokine Receptor 2. ACS Med Chem Lett, Volume 12 (6), 2021 ACS Med Chem Lett 2021 34141082
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Yang SM, Martinez NJ, Yasgar A, Danchik C, Johansson C,...
Yang SM, Martinez NJ, Yasgar A, Danchik C, Johansson C, Wang Y, Baljinnyam B, Wang AQ, Xu X, Shah P, Cheff D, Wang XS, Roth J, Lal-Nag M, Dunford JE, Oppermann U, Vasiliou V, Simeonov A, Jadhav A, Maloney DJ.
Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular... Yang SM, Martinez NJ, Yasgar A, Danchik C, Johansson C, Wang Y, Baljinnyam B, Wang AQ, Xu X, Shah P, Cheff D, Wang XS, Roth J, Lal-Nag M, Dunford JE, Oppermann U, Vasiliou V, Simeonov A, Jadhav A, Maloney DJ.: Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. J Med Chem, Volume 61 (11), 2018 J Med Chem 2018 29767973
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Yang SM, Urban DJ, Yoshioka M, Strovel JW, Fletcher S, Wang...
Yang SM, Urban DJ, Yoshioka M, Strovel JW, Fletcher S, Wang AQ, Xu X, Shah P, Hu X, Hall MD, Jadhav A, Maloney DJ.
Discovery and lead identification of quinazoline-based BRD4 inhibitors. Yang SM, Urban DJ, Yoshioka M, Strovel JW, Fletcher S, Wang AQ, Xu X, Shah P, Hu X, Hall MD, Jadhav A, Maloney DJ.: Discovery and lead identification of quinazoline-based BRD4 inhibitors. Bioorg Med Chem Lett, Volume 28 (21), 2018 Bioorg Med Chem Lett 2018 30268702
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Yang SM, Yoshioka M, Strovel JW, Urban DJ, Hu X, Hall MD,...
Yang SM, Yoshioka M, Strovel JW, Urban DJ, Hu X, Hall MD, Jadhav A, Maloney DJ.
Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer... Yang SM, Yoshioka M, Strovel JW, Urban DJ, Hu X, Hall MD, Jadhav A, Maloney DJ.: Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases. Bioorg Med Chem Lett, Volume 29 (10), 2019 Bioorg Med Chem Lett 2019 30905542
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Yang T, Cui X, Tang M, Qi W, Zhu Z, Shi M, Yang L, Pei H,...
Yang T, Cui X, Tang M, Qi W, Zhu Z, Shi M, Yang L, Pei H, Zhang W, Xie L, Xu Y, Yang Z, Chen L.
Identification of a Novel 2,8-Diazaspiro[4.5]decan-1-one Derivative as a Potent and Selective Dual TYK2/JAK1 Inhibitor... Yang T, Cui X, Tang M, Qi W, Zhu Z, Shi M, Yang L, Pei H, Zhang W, Xie L, Xu Y, Yang Z, Chen L.: Identification of a Novel 2,8-Diazaspiro[4.5]decan-1-one Derivative as a Potent and Selective Dual TYK2/JAK1 Inhibitor for the Treatment of Inflammatory Bowel Disease. J Med Chem, Volume 65 (4), 2022 J Med Chem 2022 35113547
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Yang W, Wang Y, Lai A, Clark CG, Corte JR, Fang T, Gilligan...
Yang W, Wang Y, Lai A, Clark CG, Corte JR, Fang T, Gilligan PJ, Jeon Y, Pabbisetty KB, Rampulla RA, Mathur A, Kaspady M, Neithnadka PR, Arumugam A, Raju S, Rossi KA, Myers JE, Sheriff S, Lou Z, Zheng JJ, Chacko SA, Bozarth JM, Wu Y, Crain EJ, Wong PC, Seiffert DA, Luettgen JM, Lam PYS, Wexler RR, Ewing WR.
Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in... Yang W, Wang Y, Lai A, Clark CG, Corte JR, Fang T, Gilligan PJ, Jeon Y, Pabbisetty KB, Rampulla RA, Mathur A, Kaspady M, Neithnadka PR, Arumugam A, Raju S, Rossi KA, Myers JE, Sheriff S, Lou Z, Zheng JJ, Chacko SA, Bozarth JM, Wu Y, Crain EJ, Wong PC, Seiffert DA, Luettgen JM, Lam PYS, Wexler RR, Ewing WR.: Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J Med Chem, Volume 63 (13), 2020 J Med Chem 2020 32456431
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Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.
Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.
Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against... Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018 Bioorg Med Chem 2018 29729985
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Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.
Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.
Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007 Bioorg Med Chem Lett 2007 17118653
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Yang Z, Song Q, Cao Z, Yu G, Liu Z, Tan Z, Deng Y.
Yang Z, Song Q, Cao Z, Yu G, Liu Z, Tan Z, Deng Y.
Design, synthesis and evaluation of flurbiprofen-clioquinol hybrids as multitarget-directed ligands against Alzheimer's... Yang Z, Song Q, Cao Z, Yu G, Liu Z, Tan Z, Deng Y.: Design, synthesis and evaluation of flurbiprofen-clioquinol hybrids as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 28 (7), 2020 Bioorg Med Chem 2020 32089390
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Yang Z, Wang JR, Niu T, Gao S, Yin T, You M, Jiang ZH, Hu M.
Yang Z, Wang JR, Niu T, Gao S, Yin T, You M, Jiang ZH, Hu M.
Inhibition of P-glycoprotein leads to improved oral bioavailability of compound K, an anticancer metabolite of red... Yang Z, Wang JR, Niu T, Gao S, Yin T, You M, Jiang ZH, Hu M.: Inhibition of P-glycoprotein leads to improved oral bioavailability of compound K, an anticancer metabolite of red ginseng extract produced by gut microflora. Drug Metab Dispos, Volume 40 (8), 2012 Drug Metab Dispos 2012 22584255
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Yang ZQ, Barrow JC, Shipe WD, Schlegel KA, Shu Y, Yang FV,...
Yang ZQ, Barrow JC, Shipe WD, Schlegel KA, Shu Y, Yang FV, Lindsley CW, Rittle KE, Bock MG, Hartman GD, Uebele VN, Nuss CE, Fox SV, Kraus RL, Doran SM, Connolly TM, Tang C, Ballard JE, Kuo Y, Adarayan ED, Prueksaritanont T, Zrada MM, Marino MJ, Graufelds VK, DiLella AG, Reynolds IJ, Vargas HM, Bunting PB, Woltmann RF, Magee MM, Koblan KS, Renger JJ.
Discovery of 1,4-substituted piperidines as potent and selective inhibitors of T-type calcium channels. Yang ZQ, Barrow JC, Shipe WD, Schlegel KA, Shu Y, Yang FV, Lindsley CW, Rittle KE, Bock MG, Hartman GD, Uebele VN, Nuss CE, Fox SV, Kraus RL, Doran SM, Connolly TM, Tang C, Ballard JE, Kuo Y, Adarayan ED, Prueksaritanont T, Zrada MM, Marino MJ, Graufelds VK, DiLella AG, Reynolds IJ, Vargas HM, Bunting PB, Woltmann RF, Magee MM, Koblan KS, Renger JJ.: Discovery of 1,4-substituted piperidines as potent and selective inhibitors of T-type calcium channels. J Med Chem, Volume 51 (20), 2008 J Med Chem 2008 18817368
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Yao CH, Song JS, Chen CT, Yeh TK, Hsieh TC, Wu SH, Huang...
Yao CH, Song JS, Chen CT, Yeh TK, Hsieh TC, Wu SH, Huang CY, Huang YL, Wang MH, Liu YW, Tsai CH, Kumar CR, Lee JC.
Synthesis and biological evaluation of novel C-indolylxylosides as sodium-dependent glucose co-transporter 2 inhibitors. Yao CH, Song JS, Chen CT, Yeh TK, Hsieh TC, Wu SH, Huang CY, Huang YL, Wang MH, Liu YW, Tsai CH, Kumar CR, Lee JC.: Synthesis and biological evaluation of novel C-indolylxylosides as sodium-dependent glucose co-transporter 2 inhibitors. Eur J Med Chem, Volume 55, 2012 Eur J Med Chem 2012 22818040
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Yao CH, Song JS, Chen CT, Yeh TK, Hung MS, Chang CC, Liu...
Yao CH, Song JS, Chen CT, Yeh TK, Hung MS, Chang CC, Liu YW, Yuan MC, Hsieh CJ, Huang CY, Wang MH, Chiu CH, Hsieh TC, Wu SH, Hsiao WC, Chu KF, Tsai CH, Chao YS, Lee JC.
Discovery of novel N-β-D-xylosylindole derivatives as sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for... Yao CH, Song JS, Chen CT, Yeh TK, Hung MS, Chang CC, Liu YW, Yuan MC, Hsieh CJ, Huang CY, Wang MH, Chiu CH, Hsieh TC, Wu SH, Hsiao WC, Chu KF, Tsai CH, Chao YS, Lee JC.: Discovery of novel N-β-D-xylosylindole derivatives as sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the management of hyperglycemia in diabetes. J Med Chem, Volume 54 (1), 2011 J Med Chem 2011 21128592
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Yasui T, Yamamoto T, Sakai N, Asano K, Takai T, Yoshitomi...
Yasui T, Yamamoto T, Sakai N, Asano K, Takai T, Yoshitomi Y, Davis M, Takagi T, Sakamoto K, Sogabe S, Kamada Y, Lane W, Snell G, Iwata M, Goto M, Inooka H, Sakamoto JI, Nakada Y, Imaeda Y.
Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug... Yasui T, Yamamoto T, Sakai N, Asano K, Takai T, Yoshitomi Y, Davis M, Takagi T, Sakamoto K, Sogabe S, Kamada Y, Lane W, Snell G, Iwata M, Goto M, Inooka H, Sakamoto JI, Nakada Y, Imaeda Y.: Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design. Bioorg Med Chem, Volume 25 (17), 2017 Bioorg Med Chem 2017 28760529
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Yazdanian M, Glynn SL, Wright JL, Hawi A.
Yazdanian M, Glynn SL, Wright JL, Hawi A.
Correlating partitioning and caco-2 cell permeability of structurally diverse small molecular weight compounds. Yazdanian M, Glynn SL, Wright JL, Hawi A.: Correlating partitioning and caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res, Volume 15 (9), 1490-1494, 1998 Pharm Res 1998 9755906
Total substances: 50
Total passive interactions: 50
Total active interactions: 0
Ye N, Ding Y, Wild C, Shen Q, Zhou J.
Ye N, Ding Y, Wild C, Shen Q, Zhou J.
Small molecule inhibitors targeting activator protein 1 (AP-1). Ye N, Ding Y, Wild C, Shen Q, Zhou J.: Small molecule inhibitors targeting activator protein 1 (AP-1). J Med Chem, Volume 57 (16), 2014 J Med Chem 2014 24831826
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Ye P, Kuhn C, Juan M, Sharma R, Connolly B, Alton G, Liu H,...
Ye P, Kuhn C, Juan M, Sharma R, Connolly B, Alton G, Liu H, Stanton R, Kablaoui NM.
Potent and selective thiophene urea-templated inhibitors of S6K. Ye P, Kuhn C, Juan M, Sharma R, Connolly B, Alton G, Liu H, Stanton R, Kablaoui NM.: Potent and selective thiophene urea-templated inhibitors of S6K. Bioorg Med Chem Lett, Volume 21 (2), 2011 Bioorg Med Chem Lett 2011 21185721
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Yee S.
Yee S.
In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or... Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766 Pharm Res 1997
Total substances: 35
Total passive interactions: 35
Total active interactions: 0
Yeh VS, Beno DW, Brodjian S, Brune ME, Cullen SC, Dayton...
Yeh VS, Beno DW, Brodjian S, Brune ME, Cullen SC, Dayton BD, Dhaon MK, Falls HD, Gao J, Grihalde N, Hajduk P, Hansen TM, Judd AS, King AJ, Klix RC, Larson KJ, Lau YY, Marsh KC, Mittelstadt SW, Plata D, Rozema MJ, Segreti JA, Stoner EJ, Voorbach MJ, Wang X, Xin X, Zhao G, Collins CA, Cox BF, Reilly RM, Kym PR, Souers AJ.
Identification and preliminary characterization of a potent, safe, and orally efficacious inhibitor of... Yeh VS, Beno DW, Brodjian S, Brune ME, Cullen SC, Dayton BD, Dhaon MK, Falls HD, Gao J, Grihalde N, Hajduk P, Hansen TM, Judd AS, King AJ, Klix RC, Larson KJ, Lau YY, Marsh KC, Mittelstadt SW, Plata D, Rozema MJ, Segreti JA, Stoner EJ, Voorbach MJ, Wang X, Xin X, Zhao G, Collins CA, Cox BF, Reilly RM, Kym PR, Souers AJ.: Identification and preliminary characterization of a potent, safe, and orally efficacious inhibitor of acyl-CoA:diacylglycerol acyltransferase 1. J Med Chem, Volume 55 (4), 2012 J Med Chem 2012 22263872
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Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA,...
Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.
Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018 ACS Med Chem Lett 2018 30613329
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Yeung KS, Beno BR, Parcella K, Bender JA, Grant-Young KA,...
Yeung KS, Beno BR, Parcella K, Bender JA, Grant-Young KA, Nickel A, Gunaga P, Anjanappa P, Bora RO, Selvakumar K, Rigat K, Wang YK, Liu M, Lemm J, Mosure K, Sheriff S, Wan C, Witmer M, Kish K, Hanumegowda U, Zhuo X, Shu YZ, Parker D, Haskell R, Ng A, Gao Q, Colston E, Raybon J, Grasela DM, Santone K, Gao M, Meanwell NA, Sinz M, Soars MG, Knipe JO, Roberts SB, Kadow JF.
Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1... Yeung KS, Beno BR, Parcella K, Bender JA, Grant-Young KA, Nickel A, Gunaga P, Anjanappa P, Bora RO, Selvakumar K, Rigat K, Wang YK, Liu M, Lemm J, Mosure K, Sheriff S, Wan C, Witmer M, Kish K, Hanumegowda U, Zhuo X, Shu YZ, Parker D, Haskell R, Ng A, Gao Q, Colston E, Raybon J, Grasela DM, Santone K, Gao M, Meanwell NA, Sinz M, Soars MG, Knipe JO, Roberts SB, Kadow JF.: Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J Med Chem, Volume 60 (10), 2017 J Med Chem 2017 28430437
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Yeung KS, Qiu Z, Xue Q, Fang H, Yang Z, Zadjura L,...
Yeung KS, Qiu Z, Xue Q, Fang H, Yang Z, Zadjura L, D'Arienzo CJ, Eggers BJ, Riccardi K, Shi PY, Gong YF, Browning MR, Gao Q, Hansel S, Santone K, Lin PF, Meanwell NA, Kadow JF.
Inhibitors of HIV-1 attachment. Part 7: indole-7-carboxamides as potent and orally bioavailable antiviral agents. Yeung KS, Qiu Z, Xue Q, Fang H, Yang Z, Zadjura L, D'Arienzo CJ, Eggers BJ, Riccardi K, Shi PY, Gong YF, Browning MR, Gao Q, Hansel S, Santone K, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of HIV-1 attachment. Part 7: indole-7-carboxamides as potent and orally bioavailable antiviral agents. Bioorg Med Chem Lett, Volume 23 (1), 2013 Bioorg Med Chem Lett 2013 23200252
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Yeung KS, Qiu Z, Yang Z, Zadjura L, D'Arienzo CJ, Browning...
Yeung KS, Qiu Z, Yang Z, Zadjura L, D'Arienzo CJ, Browning MR, Hansel S, Huang XS, Eggers BJ, Riccardi K, Lin PF, Meanwell NA, Kadow JF.
Inhibitors of HIV-1 attachment. Part 9: an assessment of oral prodrug approaches to improve the plasma exposure of a... Yeung KS, Qiu Z, Yang Z, Zadjura L, D'Arienzo CJ, Browning MR, Hansel S, Huang XS, Eggers BJ, Riccardi K, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of HIV-1 attachment. Part 9: an assessment of oral prodrug approaches to improve the plasma exposure of a tetrazole-containing derivative. Bioorg Med Chem Lett, Volume 23 (1), 2013 Bioorg Med Chem Lett 2013 23200244
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Yeung KS, Qiu Z, Yin Z, Trehan A, Fang H, Pearce B, Yang Z,...
Yeung KS, Qiu Z, Yin Z, Trehan A, Fang H, Pearce B, Yang Z, Zadjura L, D'Arienzo CJ, Riccardi K, Shi PY, Spicer TP, Gong YF, Browning MR, Hansel S, Santone K, Barker J, Coulter T, Lin PF, Meanwell NA, Kadow JF.
Inhibitors of HIV-1 attachment. Part 8: the effect of C7-heteroaryl substitution on the potency, and in vitro and in... Yeung KS, Qiu Z, Yin Z, Trehan A, Fang H, Pearce B, Yang Z, Zadjura L, D'Arienzo CJ, Riccardi K, Shi PY, Spicer TP, Gong YF, Browning MR, Hansel S, Santone K, Barker J, Coulter T, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of HIV-1 attachment. Part 8: the effect of C7-heteroaryl substitution on the potency, and in vitro and in vivo profiles of indole-based inhibitors. Bioorg Med Chem Lett, Volume 23 (1), 2013 Bioorg Med Chem Lett 2013 23200249
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Ulrika Yngve, Kim Paulsen, Istvan Macsari, Marie...
Ulrika Yngve, Kim Paulsen, Istvan Macsari, Marie Sundström, Ellen Santangelo, Christian Linde, Krisztian Bogar, Fredrik Lake, Yevgeni Besidski, Jonas Malmborg, Kia Strömberg, Paulina Appelkvist, Ann-Cathrine Radesäter, Fredrik Olsson, Daniel Bergström, Rebecka Klintenberg, Per I. Arvidsson
Triazolopyrimidinones as γ-secretase modulators: structure–activity relationship, modulator profile, and in vivo... Yngve, Ulrika; Kim Paulsen, Istvan Macsari, Marie Sundström, Ellen Santangelo, Christian Linde, Krisztian Bogar, Fredrik Lake, Yevgeni Besidski, Jonas Malmborg, Kia Strömberg, Paulina Appelkvist, Ann-Cathrine Radesäter, Fredrik Olsson, Daniel Bergström, Rebecka Klintenberg, Per I. Arvidsson: Triazolopyrimidinones as γ-secretase modulators: structure–activity relationship, modulator profile, and in vivo profiling.Med. Chem. Commun., 2013,4, 422-431, 10.1039/C2MD20312J MedChemComm 2013 10.1039/C2MD203...
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Yokokawa F, Nilar S, Noble CG, Lim SP, Rao R, Tania S, Wang...
Yokokawa F, Nilar S, Noble CG, Lim SP, Rao R, Tania S, Wang G, Lee G, Hunziker J, Karuna R, Manjunatha U, Shi PY, Smith PW.
Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using... Yokokawa F, Nilar S, Noble CG, Lim SP, Rao R, Tania S, Wang G, Lee G, Hunziker J, Karuna R, Manjunatha U, Shi PY, Smith PW.: Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design. J Med Chem, Volume 59 (8), 2016 J Med Chem 2016 26984786
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Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio...
Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.
Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018 Bioorg Med Chem 2018 29454703
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Yonezawa A, Masuda S, Yokoo S, Katsura T, Inui K.
Yonezawa A, Masuda S, Yokoo S, Katsura T, Inui K.
Cisplatin and oxaliplatin, but not carboplatin and nedaplatin, are substrates for human organic cation transporters... Yonezawa A, Masuda S, Yokoo S, Katsura T, Inui K.: Cisplatin and oxaliplatin, but not carboplatin and nedaplatin, are substrates for human organic cation transporters (SLC22A1-3 and multidrug and toxin extrusion family). J Pharmacol Exp Ther, Volume 319 (2), 2006 J Pharmacol Exp Ther 2006 16914559
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Yoon HC, Choi E, Park JE, Cho M, Seo JJ, Oh SJ, Kang JS,...
Yoon HC, Choi E, Park JE, Cho M, Seo JJ, Oh SJ, Kang JS, Kim HM, Park SK, Lee K, Han G.
Property based optimization of δ-lactam HDAC inhibitors for metabolic stability. Yoon HC, Choi E, Park JE, Cho M, Seo JJ, Oh SJ, Kang JS, Kim HM, Park SK, Lee K, Han G.: Property based optimization of δ-lactam HDAC inhibitors for metabolic stability. Bioorg Med Chem Lett, Volume 20 (22), 2010 Bioorg Med Chem Lett 2010 20850971
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Yoon SH, Seo S, Lee Y, Hwang S, Kim DY.
Yoon SH, Seo S, Lee Y, Hwang S, Kim DY.
Syntheses of 2-[(3,5-dimethyl-4-methoxypyridyl)alkyl]-benzothiazolidine derivatives as a potential gastric... Yoon SH, Seo S, Lee Y, Hwang S, Kim DY.: Syntheses of 2-[(3,5-dimethyl-4-methoxypyridyl)alkyl]-benzothiazolidine derivatives as a potential gastric H+/K(+)-ATPase inhibitor. Bioorg Med Chem Lett, Volume 8 (14), 1998 Bioorg Med Chem Lett 1998 9873457
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma...
Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.
Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant... Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010 Bioorg Med Chem 2010 21050768
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Yoshitani, T., Yamazaka, M.
Yoshitani, T., Yamazaka, M.
Water permeability of lipid membranes of GUVs and its dependence on actin cytoskeletons inside the GUVs Yoshitani, T., Yamazaka, M., Water permeability of lipid membranes of GUVs and its dependence on actin cytoskeletons inside the GUVs. 2008, 2008 International Symposium on Micro-NanoMechatronics and Human Science,130-134 2008 International Symposium on Micro-NanoMechatronics and Human Science 2008 10.1109/MHS.200...
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Total active interactions: 0
Yu H, Moore ML, Erhard K, Hardwicke MA, Lin H, Luengo JI,...
Yu H, Moore ML, Erhard K, Hardwicke MA, Lin H, Luengo JI, McSurdy-Freed J, Plant R, Qu J, Raha K, Rominger CM, Schaber MD, Spengler MD, Rivero RA.
[3a,4]-Dihydropyrazolo[1,5a]pyrimidines: Novel, Potent, and Selective Phosphatidylinositol-3-kinase β Inhibitors. Yu H, Moore ML, Erhard K, Hardwicke MA, Lin H, Luengo JI, McSurdy-Freed J, Plant R, Qu J, Raha K, Rominger CM, Schaber MD, Spengler MD, Rivero RA.: [3a,4]-Dihydropyrazolo[1,5a]pyrimidines: Novel, Potent, and Selective Phosphatidylinositol-3-kinase β Inhibitors. ACS Med Chem Lett, Volume 4 (2), 2013 ACS Med Chem Lett 2013 24900655
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Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze...
Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.
Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007 Bioorg Med Chem Lett 2007 17169560
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Yu M, Lizarzaburu M, Motani A, Fu Z, Du X, Liu JJ, Jiao X,...
Yu M, Lizarzaburu M, Motani A, Fu Z, Du X, Liu JJ, Jiao X, Lai S, Fan P, Fu A, Liu Q, Murakoshi M, Nara F, Oda K, Okuyama R, Reagan JD, Watanabe N, Yamazaki M, Xiong Y, Zhang Y, Zhuang R, Lin DC, Houze JB, Medina JC, Li L.
Aminopyrazole-Phenylalanine Based GPR142 Agonists: Discovery of Tool Compound and in Vivo Efficacy Studies. Yu M, Lizarzaburu M, Motani A, Fu Z, Du X, Liu JJ, Jiao X, Lai S, Fan P, Fu A, Liu Q, Murakoshi M, Nara F, Oda K, Okuyama R, Reagan JD, Watanabe N, Yamazaki M, Xiong Y, Zhang Y, Zhuang R, Lin DC, Houze JB, Medina JC, Li L.: Aminopyrazole-Phenylalanine Based GPR142 Agonists: Discovery of Tool Compound and in Vivo Efficacy Studies. ACS Med Chem Lett, Volume 4 (9), 2013 ACS Med Chem Lett 2013 24900757
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Yu S, Oh J, Li F, Kwon Y, Cho H, Shin J, Lee SK, Kim S.
Yu S, Oh J, Li F, Kwon Y, Cho H, Shin J, Lee SK, Kim S.
New Scaffold for Angiogenesis Inhibitors Discovered by Targeted Chemical Transformations of Wondonin Natural Products. Yu S, Oh J, Li F, Kwon Y, Cho H, Shin J, Lee SK, Kim S.: New Scaffold for Angiogenesis Inhibitors Discovered by Targeted Chemical Transformations of Wondonin Natural Products. ACS Med Chem Lett, Volume 8 (10), 2017 ACS Med Chem Lett 2017 29057052
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Yu T, Zhang Y, Kerekes AD, Tagat JR, Doll RJ, Xiao Y,...
Yu T, Zhang Y, Kerekes AD, Tagat JR, Doll RJ, Xiao Y, Esposite S, Hruza A, Belanger DB, Voss M, Rainka MP, Basso A, Liu M, Liang L, Sui N, Prelusky D, Rindgen D, Zhang L.
Discovery of a highly potent orally bioavailable imidazo-[1, 2-a]pyrazine Aurora inhibitor. Yu T, Zhang Y, Kerekes AD, Tagat JR, Doll RJ, Xiao Y, Esposite S, Hruza A, Belanger DB, Voss M, Rainka MP, Basso A, Liu M, Liang L, Sui N, Prelusky D, Rindgen D, Zhang L.: Discovery of a highly potent orally bioavailable imidazo-[1, 2-a]pyrazine Aurora inhibitor. Bioorg Med Chem Lett, Volume 28 (8), 2018 Bioorg Med Chem Lett 2018 29545102
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Yu XC, Zhang W, Oldham A, Buxton E, Patel S, Nghi N, Tran...
Yu XC, Zhang W, Oldham A, Buxton E, Patel S, Nghi N, Tran D, Lanthorn TH, Bomont C, Shi ZC, Liu Q.
Discovery and characterization of potent small molecule inhibitors of the high affinity proline transporter. Yu XC, Zhang W, Oldham A, Buxton E, Patel S, Nghi N, Tran D, Lanthorn TH, Bomont C, Shi ZC, Liu Q.: Discovery and characterization of potent small molecule inhibitors of the high affinity proline transporter. Neurosci Lett, Volume 451 (3), 2009 Neurosci Lett 2009 19159658
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Yu Z, Fong WP, Cheng CH.
Yu Z, Fong WP, Cheng CH.
Morin (3,5,7,2',4'-pentahydroxyflavone) exhibits potent inhibitory actions on urate transport by the human urate anion... Yu Z, Fong WP, Cheng CH.: Morin (3,5,7,2',4'-pentahydroxyflavone) exhibits potent inhibitory actions on urate transport by the human urate anion transporter (hURAT1) expressed in human embryonic kidney cells. Drug Metab Dispos, Volume 35 (6), 2007 Drug Metab Dispos 2007 17325024
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Total active interactions: 1
Yuan MC, Yeh TK, Chen CT, Song JS, Huang YC, Hsieh TC,...
Yuan MC, Yeh TK, Chen CT, Song JS, Huang YC, Hsieh TC, Huang CY, Huang YL, Wang MH, Wu SH, Yao CH, Chao YS, Lee JC.
Identification of an oxime-containing C-glucosylarene as a potential inhibitor of sodium-dependent glucose... Yuan MC, Yeh TK, Chen CT, Song JS, Huang YC, Hsieh TC, Huang CY, Huang YL, Wang MH, Wu SH, Yao CH, Chao YS, Lee JC.: Identification of an oxime-containing C-glucosylarene as a potential inhibitor of sodium-dependent glucose co-transporter 2. Eur J Med Chem, Volume 143, 2018 Eur J Med Chem 2018 29216560
Total substances: 2
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Yue EW, Douty B, Wayland B, Bower M, Liu X, Leffet L, Wang...
Yue EW, Douty B, Wayland B, Bower M, Liu X, Leffet L, Wang Q, Bowman KJ, Hansbury MJ, Liu C, Wei M, Li Y, Wynn R, Burn TC, Koblish HK, Fridman JS, Metcalf B, Scherle PA, Combs AP.
Discovery of potent competitive inhibitors of indoleamine 2,3-dioxygenase with in vivo pharmacodynamic activity and... Yue EW, Douty B, Wayland B, Bower M, Liu X, Leffet L, Wang Q, Bowman KJ, Hansbury MJ, Liu C, Wei M, Li Y, Wynn R, Burn TC, Koblish HK, Fridman JS, Metcalf B, Scherle PA, Combs AP.: Discovery of potent competitive inhibitors of indoleamine 2,3-dioxygenase with in vivo pharmacodynamic activity and efficacy in a mouse melanoma model. J Med Chem, Volume 52 (23), 2009 J Med Chem 2009 19507862
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Yue EW, Li YL, Douty B, He C, Mei S, Wayland B, Maduskuie...
Yue EW, Li YL, Douty B, He C, Mei S, Wayland B, Maduskuie T, Falahatpisheh N, Sparks RB, Polam P, Zhu W, Glenn J, Feng H, Zhang K, Li Y, He X, Katiyar K, Covington M, Feldman P, Shin N, Wang KH, Diamond S, Li Y, Koblish HK, Hall L, Scherle P, Yeleswaram S, Xue CB, Metcalf B, Combs AP, Yao W.
INCB050465 (Parsaclisib), a Novel Next-Generation Inhibitor of Phosphoinositide 3-Kinase Delta (PI3Kδ). Yue EW, Li YL, Douty B, He C, Mei S, Wayland B, Maduskuie T, Falahatpisheh N, Sparks RB, Polam P, Zhu W, Glenn J, Feng H, Zhang K, Li Y, He X, Katiyar K, Covington M, Feldman P, Shin N, Wang KH, Diamond S, Li Y, Koblish HK, Hall L, Scherle P, Yeleswaram S, Xue CB, Metcalf B, Combs AP, Yao W.: INCB050465 (Parsaclisib), a Novel Next-Generation Inhibitor of Phosphoinositide 3-Kinase Delta (PI3Kδ). ACS Med Chem Lett, Volume 10 (11), 2019 ACS Med Chem Lett 2019 31749910
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Yukawa T, Nakahata T, Okamoto R, Ishichi Y, Miyamoto Y,...
Yukawa T, Nakahata T, Okamoto R, Ishichi Y, Miyamoto Y, Nishimura S, Oikawa T, Kubo K, Adachi R, Satomi Y, Nakakariya M, Amano N, Kamaura M, Matsunaga N.
Discovery of 1,8-naphthyridin-2-one derivative as a potent and selective sphingomyelin synthase 2 inhibitor. Yukawa T, Nakahata T, Okamoto R, Ishichi Y, Miyamoto Y, Nishimura S, Oikawa T, Kubo K, Adachi R, Satomi Y, Nakakariya M, Amano N, Kamaura M, Matsunaga N.: Discovery of 1,8-naphthyridin-2-one derivative as a potent and selective sphingomyelin synthase 2 inhibitor. Bioorg Med Chem, Volume 28 (7), 2020 Bioorg Med Chem 2020 32088125
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Yum EK, Kang SK, Kim SS, Choi JK, Cheon HG.
Yum EK, Kang SK, Kim SS, Choi JK, Cheon HG.
Synthesis and pharmacological profile of 1-aryl-3-substituted pyrrolo[3,2-c]quinolines. Yum EK, Kang SK, Kim SS, Choi JK, Cheon HG.: Synthesis and pharmacological profile of 1-aryl-3-substituted pyrrolo[3,2-c]quinolines. Bioorg Med Chem Lett, Volume 9 (19), 1999 Bioorg Med Chem Lett 1999 10522698
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Total passive interactions: 0
Total active interactions: 2
Yun J, Han M, Song C, Cheon SH, Choi K, Hahn HG.
Yun J, Han M, Song C, Cheon SH, Choi K, Hahn HG.
Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors. Yun J, Han M, Song C, Cheon SH, Choi K, Hahn HG.: Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors. Bioorg Med Chem Lett, Volume 24 (15), 2014 Bioorg Med Chem Lett 2014 24974340
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Zablocki JA, Elzein E, Li X, Koltun DO, Parkhill EQ,...
Zablocki JA, Elzein E, Li X, Koltun DO, Parkhill EQ, Kobayashi T, Martinez R, Corkey B, Jiang H, Perry T, Kalla R, Notte GT, Saunders O, Graupe M, Lu Y, Venkataramani C, Guerrero J, Perry J, Osier M, Strickley R, Liu G, Wang WQ, Hu L, Li XJ, El-Bizri N, Hirakawa R, Kahlig K, Xie C, Li CH, Dhalla AK, Rajamani S, Mollova N, Soohoo D, Lepist EI, Murray B, Rhodes G, Belardinelli L, Desai MC.
Discovery of Dihydrobenzoxazepinone (GS-6615) Late Sodium Current Inhibitor (Late INai), a Phase II Agent... Zablocki JA, Elzein E, Li X, Koltun DO, Parkhill EQ, Kobayashi T, Martinez R, Corkey B, Jiang H, Perry T, Kalla R, Notte GT, Saunders O, Graupe M, Lu Y, Venkataramani C, Guerrero J, Perry J, Osier M, Strickley R, Liu G, Wang WQ, Hu L, Li XJ, El-Bizri N, Hirakawa R, Kahlig K, Xie C, Li CH, Dhalla AK, Rajamani S, Mollova N, Soohoo D, Lepist EI, Murray B, Rhodes G, Belardinelli L, Desai MC.: Discovery of Dihydrobenzoxazepinone (GS-6615) Late Sodium Current Inhibitor (Late INai), a Phase II Agent with Demonstrated Preclinical Anti-Ischemic and Antiarrhythmic Properties. J Med Chem, Volume 59 (19), 2016 J Med Chem 2016 27690427
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Zahanich I, Kondratov I, Naumchyk V, Kheylik Y, Platonov M,...
Zahanich I, Kondratov I, Naumchyk V, Kheylik Y, Platonov M, Zozulya S, Krasavin M.
Phenoxymethyl 1,3-oxazoles and 1,2,4-oxadiazoles as potent and selective agonists of free fatty acid receptor 1 (GPR40). Zahanich I, Kondratov I, Naumchyk V, Kheylik Y, Platonov M, Zozulya S, Krasavin M.: Phenoxymethyl 1,3-oxazoles and 1,2,4-oxadiazoles as potent and selective agonists of free fatty acid receptor 1 (GPR40). Bioorg Med Chem Lett, Volume 25 (16), 2015 Bioorg Med Chem Lett 2015 26096679
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Zak M, Hanan EJ, Lupardus P, Brown DG, Robinson C, Siu M,...
Zak M, Hanan EJ, Lupardus P, Brown DG, Robinson C, Siu M, Lyssikatos JP, Romero FA, Zhao G, Kellar T, Mendonca R, Ray NC, Goodacre SC, Crackett PH, McLean N, Hurley CA, Yuen PW, Cheng YX, Liu X, Liimatta M, Kohli PB, Nonomiya J, Salmon G, Buckley G, Lloyd J, Gibbons P, Ghilardi N, Kenny JR, Johnson A.
Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade... Zak M, Hanan EJ, Lupardus P, Brown DG, Robinson C, Siu M, Lyssikatos JP, Romero FA, Zhao G, Kellar T, Mendonca R, Ray NC, Goodacre SC, Crackett PH, McLean N, Hurley CA, Yuen PW, Cheng YX, Liu X, Liimatta M, Kohli PB, Nonomiya J, Salmon G, Buckley G, Lloyd J, Gibbons P, Ghilardi N, Kenny JR, Johnson A.: Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg Med Chem Lett, Volume 29 (12), 2019 Bioorg Med Chem Lett 2019 30981576
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Zak M, Hurley CA, Ward SI, Bergeron P, Barrett K, Balazs M,...
Zak M, Hurley CA, Ward SI, Bergeron P, Barrett K, Balazs M, Blair WS, Bull R, Chakravarty P, Chang C, Crackett P, Deshmukh G, DeVoss J, Dragovich PS, Eigenbrot C, Ellwood C, Gaines S, Ghilardi N, Gibbons P, Gradl S, Gribling P, Hamman C, Harstad E, Hewitt P, Johnson A, Johnson T, Kenny JR, Koehler MF, Bir Kohli P, Labadie S, Lee WP, Liao J, Liimatta M, Mendonca R, Narukulla R, Pulk R, Reeve A, Savage S, Shia S, Steffek M, Ubhayakar S, van Abbema A, Aliagas I, Avitabile-Woo B, Xiao Y, Yang J, Kulagowski JJ.
Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical... Zak M, Hurley CA, Ward SI, Bergeron P, Barrett K, Balazs M, Blair WS, Bull R, Chakravarty P, Chang C, Crackett P, Deshmukh G, DeVoss J, Dragovich PS, Eigenbrot C, Ellwood C, Gaines S, Ghilardi N, Gibbons P, Gradl S, Gribling P, Hamman C, Harstad E, Hewitt P, Johnson A, Johnson T, Kenny JR, Koehler MF, Bir Kohli P, Labadie S, Lee WP, Liao J, Liimatta M, Mendonca R, Narukulla R, Pulk R, Reeve A, Savage S, Shia S, Steffek M, Ubhayakar S, van Abbema A, Aliagas I, Avitabile-Woo B, Xiao Y, Yang J, Kulagowski JJ.: Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical properties and high selectivity over JAK2. J Med Chem, Volume 56 (11), 2013 J Med Chem 2013 23659214
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Zak M, Liederer BM, Sampath D, Yuen PW, Bair KW, Baumeister...
Zak M, Liederer BM, Sampath D, Yuen PW, Bair KW, Baumeister T, Buckmelter AJ, Clodfelter KH, Cheng E, Crocker L, Fu B, Han B, Li G, Ho YC, Lin J, Liu X, Ly J, O'Brien T, Reynolds DJ, Skelton N, Smith CC, Tay S, Wang W, Wang Z, Xiao Y, Zhang L, Zhao G, Zheng X, Dragovich PS.
Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent... Zak M, Liederer BM, Sampath D, Yuen PW, Bair KW, Baumeister T, Buckmelter AJ, Clodfelter KH, Cheng E, Crocker L, Fu B, Han B, Li G, Ho YC, Lin J, Liu X, Ly J, O'Brien T, Reynolds DJ, Skelton N, Smith CC, Tay S, Wang W, Wang Z, Xiao Y, Zhang L, Zhao G, Zheng X, Dragovich PS.: Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility. Bioorg Med Chem Lett, Volume 25 (3), 2015 Bioorg Med Chem Lett 2015 25556090
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Zak M, Mendonca R, Balazs M, Barrett K, Bergeron P, Blair...
Zak M, Mendonca R, Balazs M, Barrett K, Bergeron P, Blair WS, Chang C, Deshmukh G, Devoss J, Dragovich PS, Eigenbrot C, Ghilardi N, Gibbons P, Gradl S, Hamman C, Hanan EJ, Harstad E, Hewitt PR, Hurley CA, Jin T, Johnson A, Johnson T, Kenny JR, Koehler MF, Bir Kohli P, Kulagowski JJ, Labadie S, Liao J, Liimatta M, Lin Z, Lupardus PJ, Maxey RJ, Murray JM, Pulk R, Rodriguez M, Savage S, Shia S, Steffek M, Ubhayakar S, Ultsch M, van Abbema A, Ward SI, Xiao L, Xiao Y.
Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with... Zak M, Mendonca R, Balazs M, Barrett K, Bergeron P, Blair WS, Chang C, Deshmukh G, Devoss J, Dragovich PS, Eigenbrot C, Ghilardi N, Gibbons P, Gradl S, Hamman C, Hanan EJ, Harstad E, Hewitt PR, Hurley CA, Jin T, Johnson A, Johnson T, Kenny JR, Koehler MF, Bir Kohli P, Kulagowski JJ, Labadie S, Liao J, Liimatta M, Lin Z, Lupardus PJ, Maxey RJ, Murray JM, Pulk R, Rodriguez M, Savage S, Shia S, Steffek M, Ubhayakar S, Ultsch M, van Abbema A, Ward SI, Xiao L, Xiao Y.: Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J Med Chem, Volume 55 (13), 2012 J Med Chem 2012 22698084
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Zak M, Yuen PW, Liu X, Patel S, Sampath D, Oeh J, Liederer...
Zak M, Yuen PW, Liu X, Patel S, Sampath D, Oeh J, Liederer BM, Wang W, O'Brien T, Xiao Y, Skelton N, Hua R, Sodhi J, Wang Y, Zhang L, Zhao G, Zheng X, Ho YC, Bair KW, Dragovich PS.
Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors. Zak M, Yuen PW, Liu X, Patel S, Sampath D, Oeh J, Liederer BM, Wang W, O'Brien T, Xiao Y, Skelton N, Hua R, Sodhi J, Wang Y, Zhang L, Zhao G, Zheng X, Ho YC, Bair KW, Dragovich PS.: Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors. J Med Chem, Volume 59 (18), 2016 J Med Chem 2016 27541271
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Zaldivar-Diez J, Li L, Garcia AM, Zhao WN, Medina-Menendez...
Zaldivar-Diez J, Li L, Garcia AM, Zhao WN, Medina-Menendez C, Haggarty SJ, Gil C, Morales AV, Martinez A.
Benzothiazole-Based LRRK2 Inhibitors as Wnt Enhancers and Promoters of Oligodendrocytic Fate. Zaldivar-Diez J, Li L, Garcia AM, Zhao WN, Medina-Menendez C, Haggarty SJ, Gil C, Morales AV, Martinez A.: Benzothiazole-Based LRRK2 Inhibitors as Wnt Enhancers and Promoters of Oligodendrocytic Fate. J Med Chem, Volume 63 (5), 2020 J Med Chem 2020 31825616
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Zambrowicz B, Freiman J, Brown PM, Frazier KS, Turnage A,...
Zambrowicz B, Freiman J, Brown PM, Frazier KS, Turnage A, Bronner J, Ruff D, Shadoan M, Banks P, Mseeh F, Rawlins DB, Goodwin NC, Mabon R, Harrison BA, Wilson A, Sands A, Powell DR.
LX4211, a dual SGLT1/SGLT2 inhibitor, improved glycemic control in patients with type 2 diabetes in a randomized,... Zambrowicz B, Freiman J, Brown PM, Frazier KS, Turnage A, Bronner J, Ruff D, Shadoan M, Banks P, Mseeh F, Rawlins DB, Goodwin NC, Mabon R, Harrison BA, Wilson A, Sands A, Powell DR.: LX4211, a dual SGLT1/SGLT2 inhibitor, improved glycemic control in patients with type 2 diabetes in a randomized, placebo-controlled trial. Clin Pharmacol Ther, Volume 92 (2), 2012 Clin Pharmacol Ther 2012 22739142
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Zamek-Gliszczynski MJ, Hoffmaster KA, Nezasa K, Tallman MN,...
Zamek-Gliszczynski MJ, Hoffmaster KA, Nezasa K, Tallman MN, Brouwer KL.
Integration of hepatic drug transporters and phase II metabolizing enzymes: mechanisms of hepatic excretion of sulfate,... Zamek-Gliszczynski MJ, Hoffmaster KA, Nezasa K, Tallman MN, Brouwer KL.: Integration of hepatic drug transporters and phase II metabolizing enzymes: mechanisms of hepatic excretion of sulfate, glucuronide, and glutathione metabolites. Eur J Pharm Sci, Volume 27 (5), 2006 Eur J Pharm Sci 2006 16472997
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Zanaletti R, Bettinetti L, Castaldo C, Cocconcelli G,...
Zanaletti R, Bettinetti L, Castaldo C, Cocconcelli G, Comery T, Dunlop J, Gaviraghi G, Ghiron C, Haydar SN, Jow F, Maccari L, Micco I, Nencini A, Scali C, Turlizzi E, Valacchi M.
Discovery of a novel alpha-7 nicotinic acetylcholine receptor agonist series and characterization of the potent,... Zanaletti R, Bettinetti L, Castaldo C, Cocconcelli G, Comery T, Dunlop J, Gaviraghi G, Ghiron C, Haydar SN, Jow F, Maccari L, Micco I, Nencini A, Scali C, Turlizzi E, Valacchi M.: Discovery of a novel alpha-7 nicotinic acetylcholine receptor agonist series and characterization of the potent, selective, and orally efficacious agonist 5-(4-acetyl[1,4]diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H-pyrazol-3-yl] amide (SEN15924, WAY-361789). J Med Chem, Volume 55 (10), 2012 J Med Chem 2012 22468936
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Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J,...
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024 Nucleic Acids Res 2024 37933841
Total substances: 1204
Total passive interactions: 0
Total active interactions: 3557
Zehnder L, Bennett M, Meng J, Huang B, Ninkovic S, Wang F,...
Zehnder L, Bennett M, Meng J, Huang B, Ninkovic S, Wang F, Braganza J, Tatlock J, Jewell T, Zhou JZ, Burke B, Wang J, Maegley K, Mehta PP, Yin MJ, Gajiwala KS, Hickey MJ, Yamazaki S, Smith E, Kang P, Sistla A, Dovalsantos E, Gehring MR, Kania R, Wythes M, Kung PP.
Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock... Zehnder L, Bennett M, Meng J, Huang B, Ninkovic S, Wang F, Braganza J, Tatlock J, Jewell T, Zhou JZ, Burke B, Wang J, Maegley K, Mehta PP, Yin MJ, Gajiwala KS, Hickey MJ, Yamazaki S, Smith E, Kang P, Sistla A, Dovalsantos E, Gehring MR, Kania R, Wythes M, Kung PP.: Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J Med Chem, Volume 54 (9), 2011 J Med Chem 2011 21438541
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Zelcer N, Reid G, Wielinga P, Kuil A, van der Heijden I,...
Zelcer N, Reid G, Wielinga P, Kuil A, van der Heijden I, Schuetz JD, Borst P.
Steroid and bile acid conjugates are substrates of human multidrug-resistance protein (MRP) 4 (ATP-binding cassette C4). Zelcer N, Reid G, Wielinga P, Kuil A, van der Heijden I, Schuetz JD, Borst P.: Steroid and bile acid conjugates are substrates of human multidrug-resistance protein (MRP) 4 (ATP-binding cassette C4). Biochem J, Volume 371 (pt 2), 2003 Biochem J 2003 12523936
Total substances: 7
Total passive interactions: 0
Total active interactions: 7
Zembruski NC, Haefeli WE, Weiss J.
Zembruski NC, Haefeli WE, Weiss J.
Interaction potential of etravirine with drug transporters assessed in vitro. Zembruski NC, Haefeli WE, Weiss J.: Interaction potential of etravirine with drug transporters assessed in vitro. Antimicrob Agents Chemother, Volume 55 (3), 2011 Antimicrob Agents Chemother 2011 21189339
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Zeng F, Mun J, Jarkas N, Stehouwer JS, Voll RJ, Tamagnan...
Zeng F, Mun J, Jarkas N, Stehouwer JS, Voll RJ, Tamagnan GD, Howell L, Votaw JR, Kilts CD, Nemeroff CB, Goodman MM.
Synthesis, radiosynthesis, and biological evaluation of carbon-11 and fluorine-18 labeled reboxetine analogues:... Zeng F, Mun J, Jarkas N, Stehouwer JS, Voll RJ, Tamagnan GD, Howell L, Votaw JR, Kilts CD, Nemeroff CB, Goodman MM.: Synthesis, radiosynthesis, and biological evaluation of carbon-11 and fluorine-18 labeled reboxetine analogues: potential positron emission tomography radioligands for in vivo imaging of the norepinephrine transporter. J Med Chem, Volume 52 (1), 2009 J Med Chem 2009 19067522
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Zeng H, Belanger DB, Curran PJ, Shipps GW, Miao H, Bracken...
Zeng H, Belanger DB, Curran PJ, Shipps GW, Miao H, Bracken JB, Arshad Siddiqui M, Malkowski M, Wang Y.
Discovery of novel imidazo[1,2-a]pyrazin-8-amines as Brk/PTK6 inhibitors. Zeng H, Belanger DB, Curran PJ, Shipps GW, Miao H, Bracken JB, Arshad Siddiqui M, Malkowski M, Wang Y.: Discovery of novel imidazo[1,2-a]pyrazin-8-amines as Brk/PTK6 inhibitors. Bioorg Med Chem Lett, Volume 21 (19), 2011 Bioorg Med Chem Lett 2011 21855335
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Zeng J, Chong PL.
Zeng J, Chong PL.
Effect of ethanol-induced lipid interdigitation on the membrane solubility of Prodan, Acdan, and Laurdan. Zeng J, Chong PL.: Effect of ethanol-induced lipid interdigitation on the membrane solubility of Prodan, Acdan, and Laurdan. Biophys J, Volume 68 (2), 567-573, 1995 Biophys J 1995 7696509
Total substances: 3
Total passive interactions: 3
Total active interactions: 0
Zhan W, Visone J, Ouellette T, Harris JC, Wang R, Zhang H,...
Zhan W, Visone J, Ouellette T, Harris JC, Wang R, Zhang H, Singh PK, Ginn J, Sukenick G, Wong TT, Okoro JI, Scales RM, Tumwebaze PK, Rosenthal PJ, Kafsack BFC, Cooper RA, Meinke PT, Kirkman LA, Lin G.
Improvement of Asparagine Ethylenediamines as Anti-malarial Plasmodium-Selective Proteasome Inhibitors. Zhan W, Visone J, Ouellette T, Harris JC, Wang R, Zhang H, Singh PK, Ginn J, Sukenick G, Wong TT, Okoro JI, Scales RM, Tumwebaze PK, Rosenthal PJ, Kafsack BFC, Cooper RA, Meinke PT, Kirkman LA, Lin G.: Improvement of Asparagine Ethylenediamines as Anti-malarial Plasmodium-Selective Proteasome Inhibitors. J Med Chem, Volume 62 (13), 2019 J Med Chem 2019 31177777
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Zhang A, Wang C, Liu Q, Meng Q, Peng J, Sun H, Ma X, Huo X,...
Zhang A, Wang C, Liu Q, Meng Q, Peng J, Sun H, Ma X, Huo X, Liu K.
Involvement of organic anion-transporting polypeptides in the hepatic uptake of dioscin in rats and humans. Zhang A, Wang C, Liu Q, Meng Q, Peng J, Sun H, Ma X, Huo X, Liu K.: Involvement of organic anion-transporting polypeptides in the hepatic uptake of dioscin in rats and humans. Drug Metab Dispos, Volume 41 (5), 2013 Drug Metab Dispos 2013 23396419
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Zhang CH, Spasov KA, Reilly RA, Hollander K, Stone EA,...
Zhang CH, Spasov KA, Reilly RA, Hollander K, Stone EA, Ippolito JA, Liosi ME, Deshmukh MG, Tirado-Rives J, Zhang S, Liang Z, Miller SJ, Isaacs F, Lindenbach BD, Anderson KS, Jorgensen WL.
Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency. Zhang CH, Spasov KA, Reilly RA, Hollander K, Stone EA, Ippolito JA, Liosi ME, Deshmukh MG, Tirado-Rives J, Zhang S, Liang Z, Miller SJ, Isaacs F, Lindenbach BD, Anderson KS, Jorgensen WL.: Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency. ACS Med Chem Lett, Volume 12 (8), 2021 ACS Med Chem Lett 2021 34408808
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Zhang D, He K, Herbst JJ, Kolb J, Shou W, Wang L, Balimane...
Zhang D, He K, Herbst JJ, Kolb J, Shou W, Wang L, Balimane PV, Han YH, Gan J, Frost CE, Humphreys WG.
Characterization of efflux transporters involved in distribution and disposition of apixaban. Zhang D, He K, Herbst JJ, Kolb J, Shou W, Wang L, Balimane PV, Han YH, Gan J, Frost CE, Humphreys WG.: Characterization of efflux transporters involved in distribution and disposition of apixaban. Drug Metab Dispos, Volume 41 (4), 2013 Drug Metab Dispos 2013 23382458
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Zhang H, Ginn J, Zhan W, Liu YJ, Leung A, Toita A, Okamoto...
Zhang H, Ginn J, Zhan W, Liu YJ, Leung A, Toita A, Okamoto R, Wong TT, Imaeda T, Hara R, Yukawa T, Michino M, Vendome J, Beuming T, Sato K, Aso K, Meinke PT, Nathan CF, Kirkman LA, Lin G.
Design, Synthesis, and Optimization of Macrocyclic Peptides as Species-Selective Antimalaria Proteasome Inhibitors. Zhang H, Ginn J, Zhan W, Liu YJ, Leung A, Toita A, Okamoto R, Wong TT, Imaeda T, Hara R, Yukawa T, Michino M, Vendome J, Beuming T, Sato K, Aso K, Meinke PT, Nathan CF, Kirkman LA, Lin G.: Design, Synthesis, and Optimization of Macrocyclic Peptides as Species-Selective Antimalaria Proteasome Inhibitors. J Med Chem, Volume 65 (13), 2022 J Med Chem 2022 35727231
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Zhang H, Hsu HC, Kahne SC, Hara R, Zhan W, Jiang X,...
Zhang H, Hsu HC, Kahne SC, Hara R, Zhan W, Jiang X, Burns-Huang K, Ouellette T, Imaeda T, Okamoto R, Kawasaki M, Michino M, Wong TT, Toita A, Yukawa T, Moraca F, Vendome J, Saha P, Sato K, Aso K, Ginn J, Meinke PT, Foley M, Nathan CF, Darwin KH, Li H, Lin G.
Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome. Zhang H, Hsu HC, Kahne SC, Hara R, Zhan W, Jiang X, Burns-Huang K, Ouellette T, Imaeda T, Okamoto R, Kawasaki M, Michino M, Wong TT, Toita A, Yukawa T, Moraca F, Vendome J, Saha P, Sato K, Aso K, Ginn J, Meinke PT, Foley M, Nathan CF, Darwin KH, Li H, Lin G.: Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome. J Med Chem, Volume 64 (9), 2021 J Med Chem 2021 33949190
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Zhang J, Zhang J, Hao G, Xin W, Yang F, Zhu M, Zhou H.
Zhang J, Zhang J, Hao G, Xin W, Yang F, Zhu M, Zhou H.
Design, Synthesis, and Structure-Activity Relationship of 7-Propanamide Benzoxaboroles as Potent Anticancer Agents. Zhang J, Zhang J, Hao G, Xin W, Yang F, Zhu M, Zhou H.: Design, Synthesis, and Structure-Activity Relationship of 7-Propanamide Benzoxaboroles as Potent Anticancer Agents. J Med Chem, Volume 62 (14), 2019 J Med Chem 2019 31264855
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Zhang K, Ji M, Lin S, Peng S, Zhang Z, Zhang M, Zhang J,...
Zhang K, Ji M, Lin S, Peng S, Zhang Z, Zhang M, Zhang J, Zhang Y, Wu D, Tian H, Chen X, Xu H.
Design, Synthesis, and Biological Evaluation of a Novel Photocaged PI3K Inhibitor toward Precise Cancer Treatment. Zhang K, Ji M, Lin S, Peng S, Zhang Z, Zhang M, Zhang J, Zhang Y, Wu D, Tian H, Chen X, Xu H.: Design, Synthesis, and Biological Evaluation of a Novel Photocaged PI3K Inhibitor toward Precise Cancer Treatment. J Med Chem, Volume 64 (11), 2021 J Med Chem 2021 33876637
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Zhang L, Brodney MA, Candler J, Doran AC, Duplantier AJ,...
Zhang L, Brodney MA, Candler J, Doran AC, Duplantier AJ, Efremov IV, Evrard E, Kraus K, Ganong AH, Haas JA, Hanks AN, Jenza K, Lazzaro JT, Maklad N, McCarthy SA, Qian W, Rogers BN, Rottas MD, Schmidt CJ, Siuciak JA, Tingley FD, Zhang AQ.
1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-phenylpiperidines as mGluR2 positive allosteric modulators for the treatment of... Zhang L, Brodney MA, Candler J, Doran AC, Duplantier AJ, Efremov IV, Evrard E, Kraus K, Ganong AH, Haas JA, Hanks AN, Jenza K, Lazzaro JT, Maklad N, McCarthy SA, Qian W, Rogers BN, Rottas MD, Schmidt CJ, Siuciak JA, Tingley FD, Zhang AQ.: 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-phenylpiperidines as mGluR2 positive allosteric modulators for the treatment of psychosis. J Med Chem, Volume 54 (6), 2011 J Med Chem 2011 21366332
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Zhang L, Cherney EC, Zhu X, Lin TA, Gullo-Brown J, Maley D,...
Zhang L, Cherney EC, Zhu X, Lin TA, Gullo-Brown J, Maley D, Johnston-Allegretto K, Kopcho L, Fereshteh M, Huang C, Li X, Traeger SC, Dhar G, Anandam A, Mahankali S, Padmanabhan S, Rajanna P, Murali V, Mariappan T, Borzilleri R, Vite G, Hunt JT, Balog A.
Discovery of Imidazopyridines as Potent Inhibitors of Indoleamine 2,3-Dioxygenase 1 for Cancer Immunotherapy. Zhang L, Cherney EC, Zhu X, Lin TA, Gullo-Brown J, Maley D, Johnston-Allegretto K, Kopcho L, Fereshteh M, Huang C, Li X, Traeger SC, Dhar G, Anandam A, Mahankali S, Padmanabhan S, Rajanna P, Murali V, Mariappan T, Borzilleri R, Vite G, Hunt JT, Balog A.: Discovery of Imidazopyridines as Potent Inhibitors of Indoleamine 2,3-Dioxygenase 1 for Cancer Immunotherapy. ACS Med Chem Lett, Volume 12 (3), 2021 ACS Med Chem Lett 2021 33738077
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Zhang L, Dresser MJ, Gray AT, Yost SC, Terashita S,...
Zhang L, Dresser MJ, Gray AT, Yost SC, Terashita S, Giacomini KM.
Cloning and functional expression of a human liver organic cation transporter. Zhang L, Dresser MJ, Gray AT, Yost SC, Terashita S, Giacomini KM.: Cloning and functional expression of a human liver organic cation transporter. Mol Pharmacol, Volume 51 (6), 1997 Mol Pharmacol 1997 9187257
Total substances: 3
Total passive interactions: 0
Total active interactions: 4
Zhang L, Fan J, Chong JH, Cesena A, Tam BY, Gilson C,...
Zhang L, Fan J, Chong JH, Cesena A, Tam BY, Gilson C, Boykin C, Wang D, Aivazian D, Marcotte D, Xiao G, Le Brazidec JY, Piao J, Lundgren K, Hong K, Vu K, Nguyen K, Gan LS, Silvian L, Ling L, Teng M, Reff M, Takeda N, Timple N, Wang Q, Morena R, Khan S, Zhao S, Li T, Lee WC, Taveras AG, Chao J.
Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK)... Zhang L, Fan J, Chong JH, Cesena A, Tam BY, Gilson C, Boykin C, Wang D, Aivazian D, Marcotte D, Xiao G, Le Brazidec JY, Piao J, Lundgren K, Hong K, Vu K, Nguyen K, Gan LS, Silvian L, Ling L, Teng M, Reff M, Takeda N, Timple N, Wang Q, Morena R, Khan S, Zhao S, Li T, Lee WC, Taveras AG, Chao J.: Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg Med Chem Lett, Volume 21 (18), 2011 Bioorg Med Chem Lett 2011 21798738
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Zhang L, Schaner ME, Giacomini KM.
Zhang L, Schaner ME, Giacomini KM.
Functional characterization of an organic cation transporter (hOCT1) in a transiently transfected human cell line... Zhang L, Schaner ME, Giacomini KM.: Functional characterization of an organic cation transporter (hOCT1) in a transiently transfected human cell line (HeLa). J Pharmacol Exp Ther, Volume 286 (1), 1998 J Pharmacol Exp Ther 1998 9655880
Total substances: 55
Total passive interactions: 0
Total active interactions: 69
Zhang M, Jovic F, Vickers T, Dyck B, Tamiya J, Grey J, Tran...
Zhang M, Jovic F, Vickers T, Dyck B, Tamiya J, Grey J, Tran JA, Fleck BA, Pick R, Foster AC, Chen C.
Studies on the structure-activity relationship of bicifadine analogs as monoamine transporter inhibitors. Zhang M, Jovic F, Vickers T, Dyck B, Tamiya J, Grey J, Tran JA, Fleck BA, Pick R, Foster AC, Chen C.: Studies on the structure-activity relationship of bicifadine analogs as monoamine transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (13), 2008 Bioorg Med Chem Lett 2008 18539031
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Zhang N, Ayral-Kaloustian S, Anderson JT, Nguyen T, Das S,...
Zhang N, Ayral-Kaloustian S, Anderson JT, Nguyen T, Das S, Venkatesan AM, Brooijmans N, Lucas J, Yu K, Hollander I, Mallon R.
5-ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of... Zhang N, Ayral-Kaloustian S, Anderson JT, Nguyen T, Das S, Venkatesan AM, Brooijmans N, Lucas J, Yu K, Hollander I, Mallon R.: 5-ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer. Bioorg Med Chem Lett, Volume 20 (12), 2010 Bioorg Med Chem Lett 2010 20483602
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Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.
Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.
Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Zhang N, Qi R, Chen Y, Ji X, Han Y, Wang Y.: Partition of Glutamic Acid-Based Single-Chain and Gemini Amphiphiles into Phospholipid Membranes. Langmuir, Volume 34 (45), 13652-13661, 2018 Langmuir 2018 30350992
Total substances: 2
Total passive interactions: 8
Total active interactions: 0
Zhang P, Jørgensen TN, Loland CJ, Newman AH.
Zhang P, Jørgensen TN, Loland CJ, Newman AH.
A rhodamine-labeled citalopram analogue as a high-affinity fluorescent probe for the serotonin transporter. Zhang P, Jørgensen TN, Loland CJ, Newman AH.: A rhodamine-labeled citalopram analogue as a high-affinity fluorescent probe for the serotonin transporter. Bioorg Med Chem Lett, Volume 23 (1), 2013 Bioorg Med Chem Lett 2013 23168018
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Zhang P, Terefenko EA, Bray J, Deecher D, Fensome A,...
Zhang P, Terefenko EA, Bray J, Deecher D, Fensome A, Harrison J, Kim C, Koury E, Mark L, McComas CC, Mugford CA, Trybulski EJ, Vu AT, Whiteside GT, Mahaney PE.
1- or 3-(3-Amino-2-hydroxy-1-phenyl propyl)-1,3-dihydro-2H-benzimidazol-2-ones: potent, selective, and orally... Zhang P, Terefenko EA, Bray J, Deecher D, Fensome A, Harrison J, Kim C, Koury E, Mark L, McComas CC, Mugford CA, Trybulski EJ, Vu AT, Whiteside GT, Mahaney PE.: 1- or 3-(3-Amino-2-hydroxy-1-phenyl propyl)-1,3-dihydro-2H-benzimidazol-2-ones: potent, selective, and orally efficacious norepinephrine reuptake inhibitors. J Med Chem, Volume 52 (18), 2009 J Med Chem 2009 19722525
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.
Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.
2-Substituted 3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diones as specific L-shaped NQO1-mediated redox modulators for the... Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.: 2-Substituted 3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diones as specific L-shaped NQO1-mediated redox modulators for the treatment of non-small cell lung cancer. Eur J Med Chem, Volume 138, 2017 Eur J Med Chem 2017 28710963
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Zhang X, Cai C, Sui Z, Macielag M, Wang Y, Yan W, Suckow A,...
Zhang X, Cai C, Sui Z, Macielag M, Wang Y, Yan W, Suckow A, Hua H, Bell A, Haug P, Clapper W, Jenkinson C, Gunnet J, Leonard J, Murray WV.
Discovery of an Isothiazole-Based Phenylpropanoic Acid GPR120 Agonist as a Development Candidate for Type 2 Diabetes. Zhang X, Cai C, Sui Z, Macielag M, Wang Y, Yan W, Suckow A, Hua H, Bell A, Haug P, Clapper W, Jenkinson C, Gunnet J, Leonard J, Murray WV.: Discovery of an Isothiazole-Based Phenylpropanoic Acid GPR120 Agonist as a Development Candidate for Type 2 Diabetes. ACS Med Chem Lett, Volume 8 (9), 2017 ACS Med Chem Lett 2017 28947942
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Zhang X, Dong G, Li H, Chen W, Li J, Feng C, Gu Z, Zhu F,...
Zhang X, Dong G, Li H, Chen W, Li J, Feng C, Gu Z, Zhu F, Zhang R, Li M, Tang W, Liu H, Xu Y.
Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to... Zhang X, Dong G, Li H, Chen W, Li J, Feng C, Gu Z, Zhu F, Zhang R, Li M, Tang W, Liu H, Xu Y.: Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J Med Chem, Volume 62 (11), 2019 J Med Chem 2019 31099559
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Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S,...
Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.
Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor... Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016 J Med Chem 2016 27455395
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Zhang X, Hufnagel H, Hou C, Opas E, McKenney S, Crysler C,...
Zhang X, Hufnagel H, Hou C, Opas E, McKenney S, Crysler C, O'Neill J, Johnson D, Sui Z.
Design, synthesis and SAR of indazole and benzoisoxazole containing 4-azetidinyl-1-aryl-cyclohexanes as CCR2... Zhang X, Hufnagel H, Hou C, Opas E, McKenney S, Crysler C, O'Neill J, Johnson D, Sui Z.: Design, synthesis and SAR of indazole and benzoisoxazole containing 4-azetidinyl-1-aryl-cyclohexanes as CCR2 antagonists. Bioorg Med Chem Lett, Volume 21 (20), 2011 Bioorg Med Chem Lett 2011 21917454
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Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng...
Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.
Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014 ACS Med Chem Lett 2014 24900796
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Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang...
Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.
Garcinia xanthones as orally active antitumor agents. Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013 J Med Chem 2013 23167526
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Zhang X, Tellew JE, Luo Z, Moorjani M, Lin E, Lanier MC,...
Zhang X, Tellew JE, Luo Z, Moorjani M, Lin E, Lanier MC, Chen Y, Williams JP, Saunders J, Lechner SM, Markison S, Joswig T, Petroski R, Piercey J, Kargo W, Malany S, Santos M, Gross RS, Wen J, Jalali K, O'Brien Z, Stotz CE, Crespo MI, Díaz JL, Slee DH.
Lead optimization of 4-acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A adenosine receptor... Zhang X, Tellew JE, Luo Z, Moorjani M, Lin E, Lanier MC, Chen Y, Williams JP, Saunders J, Lechner SM, Markison S, Joswig T, Petroski R, Piercey J, Kargo W, Malany S, Santos M, Gross RS, Wen J, Jalali K, O'Brien Z, Stotz CE, Crespo MI, Díaz JL, Slee DH.: Lead optimization of 4-acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson's disease. J Med Chem, Volume 51 (22), 2008 J Med Chem 2008 18947224
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Zhang X, Zhu B, Guo L, Bakaj I, Rankin M, Ho G, Kauffman J,...
Zhang X, Zhu B, Guo L, Bakaj I, Rankin M, Ho G, Kauffman J, Lee SP, Norquay L, Macielag MJ.
Discovery of a Novel Series of Pyridone-Based EP3 Antagonists for the Treatment of Type 2 Diabetes. Zhang X, Zhu B, Guo L, Bakaj I, Rankin M, Ho G, Kauffman J, Lee SP, Norquay L, Macielag MJ.: Discovery of a Novel Series of Pyridone-Based EP3 Antagonists for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 12 (3), 2021 ACS Med Chem Lett 2021 33738072
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Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA,...
Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.
Evaluation of Diarylureas for Activity Against Plasmodium falciparum. Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010 ACS Med Chem Lett 2010 21243104
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Zhang Y, Benmohamed R, Huang H, Chen T, Voisine C, Morimoto...
Zhang Y, Benmohamed R, Huang H, Chen T, Voisine C, Morimoto RI, Kirsch DR, Silverman RB.
Arylazanylpyrazolone derivatives as inhibitors of mutant superoxide dismutase 1 dependent protein aggregation for the... Zhang Y, Benmohamed R, Huang H, Chen T, Voisine C, Morimoto RI, Kirsch DR, Silverman RB.: Arylazanylpyrazolone derivatives as inhibitors of mutant superoxide dismutase 1 dependent protein aggregation for the treatment of amyotrophic lateral sclerosis. J Med Chem, Volume 56 (6), 2013 J Med Chem 2013 23445362
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Zhang Y, Benmohamed R, Zhang W, Kim J, Edgerly CK, Zhu Y,...
Zhang Y, Benmohamed R, Zhang W, Kim J, Edgerly CK, Zhu Y, Morimoto RI, Ferrante RJ, Kirsch DR, Silverman RB.
Chiral cyclohexane 1,3-diones as inhibitors of mutant SOD1-dependent protein aggregation for the treatment of ALS. Zhang Y, Benmohamed R, Zhang W, Kim J, Edgerly CK, Zhu Y, Morimoto RI, Ferrante RJ, Kirsch DR, Silverman RB.: Chiral cyclohexane 1,3-diones as inhibitors of mutant SOD1-dependent protein aggregation for the treatment of ALS. ACS Med Chem Lett, Volume 3 (7), 2012 ACS Med Chem Lett 2012 22837812
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Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA,...
Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.
Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012 J Med Chem 2012 22435599
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Zhang Y, Guiguemde WA, Sigal M, Zhu F, Connelly MC, Nwaka...
Zhang Y, Guiguemde WA, Sigal M, Zhu F, Connelly MC, Nwaka S, Guy RK.
Synthesis and structure-activity relationships of antimalarial 4-oxo-3-carboxyl quinolones. Zhang Y, Guiguemde WA, Sigal M, Zhu F, Connelly MC, Nwaka S, Guy RK.: Synthesis and structure-activity relationships of antimalarial 4-oxo-3-carboxyl quinolones. Bioorg Med Chem, Volume 18 (7), 2010 Bioorg Med Chem 2010 20206533
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Zhang Z, Kil KE, Poutiainen P, Choi JK, Kang HJ, Huang XP,...
Zhang Z, Kil KE, Poutiainen P, Choi JK, Kang HJ, Huang XP, Roth BL, Brownell AL.
Re-exploring the N-phenylpicolinamide derivatives to develop mGlu4 ligands with improved affinity and in vitro... Zhang Z, Kil KE, Poutiainen P, Choi JK, Kang HJ, Huang XP, Roth BL, Brownell AL.: Re-exploring the N-phenylpicolinamide derivatives to develop mGlu4 ligands with improved affinity and in vitro microsomal stability. Bioorg Med Chem Lett, Volume 25 (18), 2015 Bioorg Med Chem Lett 2015 26231155
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Zhang Z, Kodumuru V, Sviridov S, Liu S, Chafeev M,...
Zhang Z, Kodumuru V, Sviridov S, Liu S, Chafeev M, Chowdhury S, Chakka N, Sun J, Gauthier SJ, Mattice M, Ratkay LG, Kwan R, Thompson J, Cutts AB, Fu J, Kamboj R, Goldberg YP, Cadieux JA.
Discovery of benzylisothioureas as potent divalent metal transporter 1 (DMT1) inhibitors. Zhang Z, Kodumuru V, Sviridov S, Liu S, Chafeev M, Chowdhury S, Chakka N, Sun J, Gauthier SJ, Mattice M, Ratkay LG, Kwan R, Thompson J, Cutts AB, Fu J, Kamboj R, Goldberg YP, Cadieux JA.: Discovery of benzylisothioureas as potent divalent metal transporter 1 (DMT1) inhibitors. Bioorg Med Chem Lett, Volume 22 (15), 2012 Bioorg Med Chem Lett 2012 22749870
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Zhang Z, Sun S, Kodumuru V, Hou D, Liu S, Chakka N,...
Zhang Z, Sun S, Kodumuru V, Hou D, Liu S, Chakka N, Sviridov S, Chowdhury S, McLaren DG, Ratkay LG, Khakh K, Cheng X, Gschwend HW, Kamboj R, Fu J, Winther MD.
Discovery of piperazin-1-ylpyridazine-based potent and selective stearoyl-CoA desaturase-1 inhibitors for the treatment... Zhang Z, Sun S, Kodumuru V, Hou D, Liu S, Chakka N, Sviridov S, Chowdhury S, McLaren DG, Ratkay LG, Khakh K, Cheng X, Gschwend HW, Kamboj R, Fu J, Winther MD.: Discovery of piperazin-1-ylpyridazine-based potent and selective stearoyl-CoA desaturase-1 inhibitors for the treatment of obesity and metabolic syndrome. J Med Chem, Volume 56 (2), 2013 J Med Chem 2013 23245208
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Zhao F, Zhang J, Zhang L, Hao Y, Shi C, Xia G, Yu J, Liu Y.
Zhao F, Zhang J, Zhang L, Hao Y, Shi C, Xia G, Yu J, Liu Y.
Discovery and optimization of a series of imidazo[4,5-b]pyrazine derivatives as highly potent and exquisitely selective... Zhao F, Zhang J, Zhang L, Hao Y, Shi C, Xia G, Yu J, Liu Y.: Discovery and optimization of a series of imidazo[4,5-b]pyrazine derivatives as highly potent and exquisitely selective inhibitors of the mesenchymal-epithelial transition factor (c-Met) protein kinase. Bioorg Med Chem, Volume 24 (18), 2016 Bioorg Med Chem 2016 27448775
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Zhao H, Wang B, Fu L, Li G, Lu H, Liu Y, Sheng L, Li Y,...
Zhao H, Wang B, Fu L, Li G, Lu H, Liu Y, Sheng L, Li Y, Zhang B, Lu Y, Ma C, Huang H, Zhang D, Lu Y.
Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment... Zhao H, Wang B, Fu L, Li G, Lu H, Liu Y, Sheng L, Li Y, Zhang B, Lu Y, Ma C, Huang H, Zhang D, Lu Y.: Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis. J Med Chem, Volume 63 (17), 2020 J Med Chem 2020 32666789
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Zhao L, Li Y, Wang Y, Qiao Z, Miao Z, Yang J, Huang L, Tian...
Zhao L, Li Y, Wang Y, Qiao Z, Miao Z, Yang J, Huang L, Tian C, Li L, Chen D, Yang S.
Discovery of 4H-Chromen-4-one Derivatives as a New Class of Selective Rho Kinase (ROCK) Inhibitors, which Showed... Zhao L, Li Y, Wang Y, Qiao Z, Miao Z, Yang J, Huang L, Tian C, Li L, Chen D, Yang S.: Discovery of 4H-Chromen-4-one Derivatives as a New Class of Selective Rho Kinase (ROCK) Inhibitors, which Showed Potent Activity in ex Vivo Diabetic Retinopathy Models. J Med Chem, Volume 62 (23), 2019 J Med Chem 2019 31693351
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Zhao X, Sun B, Zheng H, Liu J, Qian L, Wang X, Lou H.
Zhao X, Sun B, Zheng H, Liu J, Qian L, Wang X, Lou H.
Synthesis and biological evaluation of 6-hydroxyl C-aryl glucoside derivatives as novel sodium glucose co-transporter 2... Zhao X, Sun B, Zheng H, Liu J, Qian L, Wang X, Lou H.: Synthesis and biological evaluation of 6-hydroxyl C-aryl glucoside derivatives as novel sodium glucose co-transporter 2 (SGLT2) inhibitors. Bioorg Med Chem Lett, Volume 28 (12), 2018 Bioorg Med Chem Lett 2018 29764742
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Zhao Z, O'Brien JA, Lemaire W, Williams DL, Jacobson MA,...
Zhao Z, O'Brien JA, Lemaire W, Williams DL, Jacobson MA, Sur C, Pettibone DJ, Tiller PR, Smith S, Hartman GD, Wolkenberg SE, Lindsley CW.
Synthesis and SAR of GlyT1 inhibitors derived from a series of... Zhao Z, O'Brien JA, Lemaire W, Williams DL, Jacobson MA, Sur C, Pettibone DJ, Tiller PR, Smith S, Hartman GD, Wolkenberg SE, Lindsley CW.: Synthesis and SAR of GlyT1 inhibitors derived from a series of N-((4-(morpholine-4-carbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamides. Bioorg Med Chem Lett, Volume 16 (23), 2006 Bioorg Med Chem Lett 2006 16987662
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Zheng B, D'Andrea SV, Sun LQ, Wang AX, Chen Y, Hrnciar P,...
Zheng B, D'Andrea SV, Sun LQ, Wang AX, Chen Y, Hrnciar P, Friborg J, Falk P, Hernandez D, Yu F, Sheaffer AK, Knipe JO, Mosure K, Rajamani R, Good AC, Kish K, Tredup J, Klei HE, Paruchuri M, Ng A, Gao Q, Rampulla RA, Mathur A, Meanwell NA, McPhee F, Scola PM.
Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor. Zheng B, D'Andrea SV, Sun LQ, Wang AX, Chen Y, Hrnciar P, Friborg J, Falk P, Hernandez D, Yu F, Sheaffer AK, Knipe JO, Mosure K, Rajamani R, Good AC, Kish K, Tredup J, Klei HE, Paruchuri M, Ng A, Gao Q, Rampulla RA, Mathur A, Meanwell NA, McPhee F, Scola PM.: Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor. ACS Med Chem Lett, Volume 9 (2), 2018 ACS Med Chem Lett 2018 29456803
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Zheng BZ, D'Andrea SV, Hanumegowda U, Knipe JO, Mosure K,...
Zheng BZ, D'Andrea SV, Hanumegowda U, Knipe JO, Mosure K, Zhuo X, Lemm JA, Liu M, Rigat KL, Wang YK, Fang H, Poronsky C, Cutrone J, Wu DR, Arunachalam PN, Balapragalathan TJ, Arumugam A, Mathur A, Meanwell NA, Gao M, Roberts SB, Kadow JF.
Discovery of BMS-961955, an allosteric inhibitor of the hepatitis C virus NS5B polymerase. Zheng BZ, D'Andrea SV, Hanumegowda U, Knipe JO, Mosure K, Zhuo X, Lemm JA, Liu M, Rigat KL, Wang YK, Fang H, Poronsky C, Cutrone J, Wu DR, Arunachalam PN, Balapragalathan TJ, Arumugam A, Mathur A, Meanwell NA, Gao M, Roberts SB, Kadow JF.: Discovery of BMS-961955, an allosteric inhibitor of the hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 27 (15), 2017 Bioorg Med Chem Lett 2017 28633899
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Zheng J, Wen R, Luo X, Lin G, Zhang J, Xu L, Guo L, Jiang H.
Zheng J, Wen R, Luo X, Lin G, Zhang J, Xu L, Guo L, Jiang H.
Design, synthesis, and biological evaluation of the N-diarylalkenyl-piperidinecarboxylic acid derivatives as GABA... Zheng J, Wen R, Luo X, Lin G, Zhang J, Xu L, Guo L, Jiang H.: Design, synthesis, and biological evaluation of the N-diarylalkenyl-piperidinecarboxylic acid derivatives as GABA uptake inhibitors (I). Bioorg Med Chem Lett, Volume 16 (1), 2006 Bioorg Med Chem Lett 2006 16246548
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Total active interactions: 1
Zheng M, Li C, Zhou M, Jia R, Cai G, She F, Wei L, Wang S,...
Zheng M, Li C, Zhou M, Jia R, Cai G, She F, Wei L, Wang S, Yu J, Wang D, Calcul L, Sun X, Luo X, Cheng F, Li Q, Wang Y, Cai J.
Discovery of Cyclic Peptidomimetic Ligands Targeting the Extracellular Domain of EGFR. Zheng M, Li C, Zhou M, Jia R, Cai G, She F, Wei L, Wang S, Yu J, Wang D, Calcul L, Sun X, Luo X, Cheng F, Li Q, Wang Y, Cai J.: Discovery of Cyclic Peptidomimetic Ligands Targeting the Extracellular Domain of EGFR. J Med Chem, Volume 64 (15), 2021 J Med Chem 2021 34297567
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Zheng M, Yang Y, Zhao M, Zhang X, Wu J, Chen G, Peng L,...
Zheng M, Yang Y, Zhao M, Zhang X, Wu J, Chen G, Peng L, Wang Y, Peng S.
A class of novel N-isoquinoline-3-carbonyl-L-amino acid benzylesters: synthesis, anti-tumor evaluation and 3D QSAR... Zheng M, Yang Y, Zhao M, Zhang X, Wu J, Chen G, Peng L, Wang Y, Peng S.: A class of novel N-isoquinoline-3-carbonyl-L-amino acid benzylesters: synthesis, anti-tumor evaluation and 3D QSAR analysis. Eur J Med Chem, Volume 46 (5), 2011 Eur J Med Chem 2011 21414693
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Zheng X, Bair KW, Bauer P, Baumeister T, Bowman KK,...
Zheng X, Bair KW, Bauer P, Baumeister T, Bowman KK, Buckmelter AJ, Caligiuri M, Clodfelter KH, Feng Y, Han B, Ho YC, Kley N, Li H, Liang X, Liederer BM, Lin J, Ly J, O'Brien T, Oeh J, Oh A, Reynolds DJ, Sampath D, Sharma G, Skelton N, Smith CC, Tremayne J, Wang L, Wang W, Wang Z, Wu H, Wu J, Xiao Y, Yang G, Yuen PW, Zak M, Dragovich PS.
Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human... Zheng X, Bair KW, Bauer P, Baumeister T, Bowman KK, Buckmelter AJ, Caligiuri M, Clodfelter KH, Feng Y, Han B, Ho YC, Kley N, Li H, Liang X, Liederer BM, Lin J, Ly J, O'Brien T, Oeh J, Oh A, Reynolds DJ, Sampath D, Sharma G, Skelton N, Smith CC, Tremayne J, Wang L, Wang W, Wang Z, Wu H, Wu J, Xiao Y, Yang G, Yuen PW, Zak M, Dragovich PS.: Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg Med Chem Lett, Volume 23 (20), 2013 Bioorg Med Chem Lett 2013 24021463
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Zheng X, Bauer P, Baumeister T, Buckmelter AJ, Caligiuri M,...
Zheng X, Bauer P, Baumeister T, Buckmelter AJ, Caligiuri M, Clodfelter KH, Han B, Ho YC, Kley N, Lin J, Reynolds DJ, Sharma G, Smith CC, Wang Z, Dragovich PS, Gunzner-Toste J, Liederer BM, Ly J, O'Brien T, Oh A, Wang L, Wang W, Xiao Y, Zak M, Zhao G, Yuen PW, Bair KW.
Structure-based discovery of novel amide-containing nicotinamide phosphoribosyltransferase (nampt) inhibitors. Zheng X, Bauer P, Baumeister T, Buckmelter AJ, Caligiuri M, Clodfelter KH, Han B, Ho YC, Kley N, Lin J, Reynolds DJ, Sharma G, Smith CC, Wang Z, Dragovich PS, Gunzner-Toste J, Liederer BM, Ly J, O'Brien T, Oh A, Wang L, Wang W, Xiao Y, Zak M, Zhao G, Yuen PW, Bair KW.: Structure-based discovery of novel amide-containing nicotinamide phosphoribosyltransferase (nampt) inhibitors. J Med Chem, Volume 56 (16), 2013 J Med Chem 2013 23859118
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Zheng X, Liang C, Wang L, Wang B, Liu Y, Feng S, Wu JZ, Gao...
Zheng X, Liang C, Wang L, Wang B, Liu Y, Feng S, Wu JZ, Gao L, Feng L, Chen L, Guo T, Shen HC, Yun H.
Discovery of Benzoazepinequinoline (BAQ) Derivatives as Novel, Potent, Orally Bioavailable Respiratory Syncytial Virus... Zheng X, Liang C, Wang L, Wang B, Liu Y, Feng S, Wu JZ, Gao L, Feng L, Chen L, Guo T, Shen HC, Yun H.: Discovery of Benzoazepinequinoline (BAQ) Derivatives as Novel, Potent, Orally Bioavailable Respiratory Syncytial Virus Fusion Inhibitors. J Med Chem, Volume 61 (22), 2018 J Med Chem 2018 30339388
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Zheng X, Wang L, Wang B, Miao K, Xiang K, Feng S, Gao L,...
Zheng X, Wang L, Wang B, Miao K, Xiang K, Feng S, Gao L, Shen HC, Yun H.
Discovery of Piperazinylquinoline Derivatives as Novel Respiratory Syncytial Virus Fusion Inhibitors. Zheng X, Wang L, Wang B, Miao K, Xiang K, Feng S, Gao L, Shen HC, Yun H.: Discovery of Piperazinylquinoline Derivatives as Novel Respiratory Syncytial Virus Fusion Inhibitors. ACS Med Chem Lett, Volume 7 (6), 2016 ACS Med Chem Lett 2016 27326326
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Zheng YY, Guo L, Zhen XC, Li JQ.
Zheng YY, Guo L, Zhen XC, Li JQ.
Synthesis and antidepressant activity of arylalkanol-piperidine derivatives as triple reuptake inhibitors. Zheng YY, Guo L, Zhen XC, Li JQ.: Synthesis and antidepressant activity of arylalkanol-piperidine derivatives as triple reuptake inhibitors. Eur J Med Chem, Volume 54, 2012 Eur J Med Chem 2012 22608762
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Total passive interactions: 0
Total active interactions: 1
Zheng YY, Weng ZJ, Xie P, Zhu MY, Xing LX, Li JQ.
Zheng YY, Weng ZJ, Xie P, Zhu MY, Xing LX, Li JQ.
Synthesis and pharmacological investigation of aralkyl diamine derivatives as potential triple reuptake inhibitors. Zheng YY, Weng ZJ, Xie P, Zhu MY, Xing LX, Li JQ.: Synthesis and pharmacological investigation of aralkyl diamine derivatives as potential triple reuptake inhibitors. Eur J Med Chem, Volume 86, 2014 Eur J Med Chem 2014 25164761
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Total passive interactions: 0
Total active interactions: 1
Zhong M, Shen W, Barr KJ, Arbitrario JP, Arkin MR, Bui M,...
Zhong M, Shen W, Barr KJ, Arbitrario JP, Arkin MR, Bui M, Chen T, Cunningham BC, Evanchik MJ, Hanan EJ, Hoch U, Huen K, Hyde J, Kumer JL, Lac T, Lawrence CE, Martell JR, Oslob JD, Paulvannan K, Prabhu S, Silverman JA, Wright J, Yu CH, Zhu J, Flanagan WM.
Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. Zhong M, Shen W, Barr KJ, Arbitrario JP, Arkin MR, Bui M, Chen T, Cunningham BC, Evanchik MJ, Hanan EJ, Hoch U, Huen K, Hyde J, Kumer JL, Lac T, Lawrence CE, Martell JR, Oslob JD, Paulvannan K, Prabhu S, Silverman JA, Wright J, Yu CH, Zhu J, Flanagan WM.: Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. Bioorg Med Chem Lett, Volume 20 (17), 2010 Bioorg Med Chem Lett 2010 20655213
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Zhou D, Gross JL, Adedoyin AB, Aschmies SB, Brennan J,...
Zhou D, Gross JL, Adedoyin AB, Aschmies SB, Brennan J, Bowlby M, Di L, Kubek K, Platt BJ, Wang Z, Zhang G, Brandon N, Comery TA, Robichaud AJ.
2-(Pyrrolidin-1-yl)ethyl-3,4-dihydroisoquinolin-1(2H)-one derivatives as potent and selective histamine-3 receptor... Zhou D, Gross JL, Adedoyin AB, Aschmies SB, Brennan J, Bowlby M, Di L, Kubek K, Platt BJ, Wang Z, Zhang G, Brandon N, Comery TA, Robichaud AJ.: 2-(Pyrrolidin-1-yl)ethyl-3,4-dihydroisoquinolin-1(2H)-one derivatives as potent and selective histamine-3 receptor antagonists. J Med Chem, Volume 55 (5), 2012 J Med Chem 2012 22313242
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Zhou G, Ting PC, Wishart G, Zorn N, Aslanian RG, Lin M,...
Zhou G, Ting PC, Wishart G, Zorn N, Aslanian RG, Lin M, Smith M, Walker SS, Cook J, Van Heek M, Lachowicz J.
Discovery of novel quinoline carboxylic acid series as DGAT1 inhibitors. Zhou G, Ting PC, Wishart G, Zorn N, Aslanian RG, Lin M, Smith M, Walker SS, Cook J, Van Heek M, Lachowicz J.: Discovery of novel quinoline carboxylic acid series as DGAT1 inhibitors. Bioorg Med Chem Lett, Volume 24 (7), 2014 Bioorg Med Chem Lett 2014 24618302
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Zhou G, Zorn N, Ting P, Aslanian R, Lin M, Cook J,...
Zhou G, Zorn N, Ting P, Aslanian R, Lin M, Cook J, Lachowicz J, Lin A, Smith M, Hwa J, van Heek M, Walker S.
Development of novel benzomorpholine class of diacylglycerol acyltransferase I inhibitors. Zhou G, Zorn N, Ting P, Aslanian R, Lin M, Cook J, Lachowicz J, Lin A, Smith M, Hwa J, van Heek M, Walker S.: Development of novel benzomorpholine class of diacylglycerol acyltransferase I inhibitors. ACS Med Chem Lett, Volume 5 (5), 2014 ACS Med Chem Lett 2014 24900877
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Zhou HJ, Wang J, Yao B, Wong S, Djakovic S, Kumar B, Rice...
Zhou HJ, Wang J, Yao B, Wong S, Djakovic S, Kumar B, Rice J, Valle E, Soriano F, Menon MK, Madriaga A, Kiss von Soly S, Kumar A, Parlati F, Yakes FM, Shawver L, Le Moigne R, Anderson DJ, Rolfe M, Wustrow D.
Discovery of a First-in-Class, Potent, Selective, and Orally Bioavailable Inhibitor of the p97 AAA ATPase (CB-5083). Zhou HJ, Wang J, Yao B, Wong S, Djakovic S, Kumar B, Rice J, Valle E, Soriano F, Menon MK, Madriaga A, Kiss von Soly S, Kumar A, Parlati F, Yakes FM, Shawver L, Le Moigne R, Anderson DJ, Rolfe M, Wustrow D.: Discovery of a First-in-Class, Potent, Selective, and Orally Bioavailable Inhibitor of the p97 AAA ATPase (CB-5083). J Med Chem, Volume 58 (24), 2015 J Med Chem 2015 26565666
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Zhou HS, Hu LB, Zhang H, Shan WX, Wang Y, Li X, Liu T, Zhao...
Zhou HS, Hu LB, Zhang H, Shan WX, Wang Y, Li X, Liu T, Zhao J, You QD, Jiang ZY.
Design, Synthesis, and Structure-Activity Relationships of Indoline-Based Kelch-like ECH-Associated Protein 1-Nuclear... Zhou HS, Hu LB, Zhang H, Shan WX, Wang Y, Li X, Liu T, Zhao J, You QD, Jiang ZY.: Design, Synthesis, and Structure-Activity Relationships of Indoline-Based Kelch-like ECH-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-Like 2 (Keap1-Nrf2) Protein-Protein Interaction Inhibitors. J Med Chem, Volume 63 (19), 2020 J Med Chem 2020 32902980
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Zhou J, He R, Johnson KM, Ye Y, Kozikowski AP.
Zhou J, He R, Johnson KM, Ye Y, Kozikowski AP.
Piperidine-based nocaine/modafinil hybrid ligands as highly potent monoamine transporter inhibitors: efficient drug... Zhou J, He R, Johnson KM, Ye Y, Kozikowski AP.: Piperidine-based nocaine/modafinil hybrid ligands as highly potent monoamine transporter inhibitors: efficient drug discovery by rational lead hybridization. J Med Chem, Volume 47 (24), 2004 J Med Chem 2004 15537337
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Total passive interactions: 0
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Zhou J, Xu J, Huang Z, Wang M.
Zhou J, Xu J, Huang Z, Wang M.
Transporter-mediated tissue targeting of therapeutic molecules in drug discovery. Zhou J, Xu J, Huang Z, Wang M.: Transporter-mediated tissue targeting of therapeutic molecules in drug discovery. Bioorg Med Chem Lett, Volume 25 (5), 2015 Bioorg Med Chem Lett 2015 25650254
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Total active interactions: 1
Zhou L, Dockens RC, Liu-Kreyche P, Grossman SJ, Iyer RA.
Zhou L, Dockens RC, Liu-Kreyche P, Grossman SJ, Iyer RA.
In vitro and in vivo metabolism and pharmacokinetics of BMS-562086, a potent and orally bioavailable... Zhou L, Dockens RC, Liu-Kreyche P, Grossman SJ, Iyer RA.: In vitro and in vivo metabolism and pharmacokinetics of BMS-562086, a potent and orally bioavailable corticotropin-releasing factor-1 receptor antagonist. Drug Metab Dispos, Volume 40 (6), 2012 Drug Metab Dispos 2012 22381334
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Zhou Y, Fu Y, Yin W, Li J, Wang W, Bai F, Xu S, Gong Q,...
Zhou Y, Fu Y, Yin W, Li J, Wang W, Bai F, Xu S, Gong Q, Peng T, Hong Y, Zhang D, Zhang D, Liu Q, Xu Y, Xu HE, Zhang H, Jiang H, Liu H.
Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. Zhou Y, Fu Y, Yin W, Li J, Wang W, Bai F, Xu S, Gong Q, Peng T, Hong Y, Zhang D, Zhang D, Liu Q, Xu Y, Xu HE, Zhang H, Jiang H, Liu H.: Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J Med Chem, Volume 64 (4), 2021 J Med Chem 2021 33570950
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Zhou Y, Liu G, Chen J, Reddy PS, Yoon IS, Zhang M, Zhang B,...
Zhou Y, Liu G, Chen J, Reddy PS, Yoon IS, Zhang M, Zhang B, Barber JR, Ng SC.
Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives: their cytoprotection effect from rotenone toxicity and... Zhou Y, Liu G, Chen J, Reddy PS, Yoon IS, Zhang M, Zhang B, Barber JR, Ng SC.: Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives: their cytoprotection effect from rotenone toxicity and preliminary DMPK properties. Bioorg Med Chem Lett, Volume 19 (21), 2009 Bioorg Med Chem Lett 2009 19786349
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Zhou Y, Manka JT, Rodriguez AL, Weaver CD, Days EL, Vinson...
Zhou Y, Manka JT, Rodriguez AL, Weaver CD, Days EL, Vinson PN, Jadhav S, Hermann EJ, Jones CK, Conn PJ, Lindsley CW, Stauffer SR.
Discovery of N-Aryl Piperazines as Selective mGlu(5) Potentiators with Efficacy in a Rodent Model Predictive of... Zhou Y, Manka JT, Rodriguez AL, Weaver CD, Days EL, Vinson PN, Jadhav S, Hermann EJ, Jones CK, Conn PJ, Lindsley CW, Stauffer SR.: Discovery of N-Aryl Piperazines as Selective mGlu(5) Potentiators with Efficacy in a Rodent Model Predictive of Anti-Psychotic Activity. ACS Med Chem Lett, Volume 1 (8), 2010 ACS Med Chem Lett 2010 23308336
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Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu...
Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.
The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019 Bioorg Med Chem Lett 2019 31444085
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Zhu PJ, Yu ZZ, Lv YF, Zhao JL, Tong YY, You QD, Jiang ZY.
Zhu PJ, Yu ZZ, Lv YF, Zhao JL, Tong YY, You QD, Jiang ZY.
Discovery of 3,5-Dimethyl-4-Sulfonyl-1H-Pyrrole-Based Myeloid Cell Leukemia 1 Inhibitors with High Affinity,... Zhu PJ, Yu ZZ, Lv YF, Zhao JL, Tong YY, You QD, Jiang ZY.: Discovery of 3,5-Dimethyl-4-Sulfonyl-1H-Pyrrole-Based Myeloid Cell Leukemia 1 Inhibitors with High Affinity, Selectivity, and Oral Bioavailability. J Med Chem, Volume 64 (15), 2021 J Med Chem 2021 34342996
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Zhu Z, Buolamwini JK.
Zhu Z, Buolamwini JK.
Constrained NBMPR analogue synthesis, pharmacophore mapping and 3D-QSAR modeling of equilibrative nucleoside... Zhu Z, Buolamwini JK.: Constrained NBMPR analogue synthesis, pharmacophore mapping and 3D-QSAR modeling of equilibrative nucleoside transporter 1 (ENT1) inhibitory activity. Bioorg Med Chem, Volume 16 (7), 2008 Bioorg Med Chem 2008 18289860
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Zidar N, Jakopin Ž, Madge DJ, Chan F, Tytgat J, Peigneur...
Zidar N, Jakopin Ž, Madge DJ, Chan F, Tytgat J, Peigneur S, Dolenc MS, Tomašić T, Ilaš J, Mašič LP, Kikelj D.
Substituted 4-phenyl-2-aminoimidazoles and 4-phenyl-4,5-dihydro-2-aminoimidazoles as voltage-gated sodium channel... Zidar N, Jakopin Ž, Madge DJ, Chan F, Tytgat J, Peigneur S, Dolenc MS, Tomašić T, Ilaš J, Mašič LP, Kikelj D.: Substituted 4-phenyl-2-aminoimidazoles and 4-phenyl-4,5-dihydro-2-aminoimidazoles as voltage-gated sodium channel modulators. Eur J Med Chem, Volume 74, 2014 Eur J Med Chem 2014 24440379
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Zidar N, Žula A, Tomašič T, Rogers M, Kirby RW, Tytgat...
Zidar N, Žula A, Tomašič T, Rogers M, Kirby RW, Tytgat J, Peigneur S, Kikelj D, Ilaš J, Mašič LP.
Clathrodin, hymenidin and oroidin, and their synthetic analogues as inhibitors of the voltage-gated potassium channels. Zidar N, Žula A, Tomašič T, Rogers M, Kirby RW, Tytgat J, Peigneur S, Kikelj D, Ilaš J, Mašič LP.: Clathrodin, hymenidin and oroidin, and their synthetic analogues as inhibitors of the voltage-gated potassium channels. Eur J Med Chem, Volume 139, 2017 Eur J Med Chem 2017 28802123
Total substances: 2
Total passive interactions: 0
Total active interactions: 4
Zimmermann K, Sang X, Mastalerz HA, Johnson WL, Zhang G,...
Zimmermann K, Sang X, Mastalerz HA, Johnson WL, Zhang G, Liu Q, Batt D, Lombardo LJ, Vyas D, Trainor GL, Tokarski JS, Lorenzi MV, You D, Gottardis MM, Lippy J, Khan J, Sack JS, Purandare AV.
9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors. Zimmermann K, Sang X, Mastalerz HA, Johnson WL, Zhang G, Liu Q, Batt D, Lombardo LJ, Vyas D, Trainor GL, Tokarski JS, Lorenzi MV, You D, Gottardis MM, Lippy J, Khan J, Sack JS, Purandare AV.: 9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors. Bioorg Med Chem Lett, Volume 25 (14), 2015 Bioorg Med Chem Lett 2015 25987372
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Zindell R, Walker ER, Scott J, Amouzegh P, Wu L, Ermann M,...
Zindell R, Walker ER, Scott J, Amouzegh P, Wu L, Ermann M, Thomson D, Fisher MB, Fullenwider CL, Grbic H, Kaplita P, Linehan B, Patel M, Patel M, Löbbe S, Block S, Albrecht C, Gemkow MJ, Shih DT, Riether D.
Aryl 1,4-diazepane compounds as potent and selective CB2 agonists: optimization of drug-like properties and target... Zindell R, Walker ER, Scott J, Amouzegh P, Wu L, Ermann M, Thomson D, Fisher MB, Fullenwider CL, Grbic H, Kaplita P, Linehan B, Patel M, Patel M, Löbbe S, Block S, Albrecht C, Gemkow MJ, Shih DT, Riether D.: Aryl 1,4-diazepane compounds as potent and selective CB2 agonists: optimization of drug-like properties and target independent parameters. Bioorg Med Chem Lett, Volume 21 (14), 2011 Bioorg Med Chem Lett 2011 21689933
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Zischinsky G, Stragies R, Schaudt M, Pfeifer JR, Gibson C,...
Zischinsky G, Stragies R, Schaudt M, Pfeifer JR, Gibson C, Locardi E, Scharn D, Richter U, Kalkhof H, Dinkel K, Schnatbaum K.
Novel small molecule bradykinin B1 receptor antagonists. Part 2: 5-membered diaminoheterocycles. Zischinsky G, Stragies R, Schaudt M, Pfeifer JR, Gibson C, Locardi E, Scharn D, Richter U, Kalkhof H, Dinkel K, Schnatbaum K.: Novel small molecule bradykinin B1 receptor antagonists. Part 2: 5-membered diaminoheterocycles. Bioorg Med Chem Lett, Volume 20 (3), 2010 Bioorg Med Chem Lett 2010 20015651
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Zorbaz T, Malinak D, Maraković N, Maček Hrvat N, Zandona...
Zorbaz T, Malinak D, Maraković N, Maček Hrvat N, Zandona A, Novotny M, Skarka A, Andrys R, Benkova M, Soukup O, Katalinić M, Kuca K, Kovarik Z, Musilek K.
Pyridinium Oximes with Ortho-Positioned Chlorine Moiety Exhibit Improved Physicochemical Properties and Efficient... Zorbaz T, Malinak D, Maraković N, Maček Hrvat N, Zandona A, Novotny M, Skarka A, Andrys R, Benkova M, Soukup O, Katalinić M, Kuca K, Kovarik Z, Musilek K.: Pyridinium Oximes with Ortho-Positioned Chlorine Moiety Exhibit Improved Physicochemical Properties and Efficient Reactivation of Human Acetylcholinesterase Inhibited by Several Nerve Agents. J Med Chem, Volume 61 (23), 2018 J Med Chem 2018 30383374
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Zou F, Pusch S, Hua J, Ma T, Yang L, Zhu Q, Xu Y, Gu Y, von...
Zou F, Pusch S, Hua J, Ma T, Yang L, Zhu Q, Xu Y, Gu Y, von Deimling A, Zha X.
Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual... Zou F, Pusch S, Hua J, Ma T, Yang L, Zhu Q, Xu Y, Gu Y, von Deimling A, Zha X.: Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual screening. Bioorg Med Chem Lett, Volume 28 (3), 2018 Bioorg Med Chem Lett 2018 29290542
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Zwick V, Simões-Pires CA, Nurisso A, Petit C, Dos Santos...
Zwick V, Simões-Pires CA, Nurisso A, Petit C, Dos Santos Passos C, Randazzo GM, Martinet N, Bertrand P, Cuendet M.
Synthesis of a selective HDAC6 inhibitor active in neuroblasts. Zwick V, Simões-Pires CA, Nurisso A, Petit C, Dos Santos Passos C, Randazzo GM, Martinet N, Bertrand P, Cuendet M.: Synthesis of a selective HDAC6 inhibitor active in neuroblasts. Bioorg Med Chem Lett, Volume 26 (20), 2016 Bioorg Med Chem Lett 2016 27650925
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