Datasets
Authors Title Journal Year PMID/DOI Actions
Abate C, Selivanova SV, Müller A, Krämer SD, Schibli R,...
Abate C, Selivanova SV, Müller A, Krämer SD, Schibli R, Marottoli R, Perrone R, Berardi F, Niso M, Ametamey SM.
Development of 3,4-dihydroisoquinolin-1(2H)-one derivatives for the Positron Emission Tomography (PET) imaging of σ₂... Abate C, Selivanova SV, Müller A, Krämer SD, Schibli R, Marottoli R, Perrone R, Berardi F, Niso M, Ametamey SM.: Development of 3,4-dihydroisoquinolin-1(2H)-one derivatives for the Positron Emission Tomography (PET) imaging of σ₂ receptors. Eur J Med Chem, Volume 69, 2013 Eur J Med Chem 2013 24161678
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Abdel-Magid AF.
Abdel-Magid AF.
Nav1.7 Inhibitors: Potential Effective Therapy for the Treatment of Chronic Pain. Abdel-Magid AF.: Nav1.7 Inhibitors: Potential Effective Therapy for the Treatment of Chronic Pain. ACS Med Chem Lett, Volume 6 (9), 2015 ACS Med Chem Lett 2015 26396679
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
Abdel-Magid AF.
Abdel-Magid AF.
Potential of Renal Outer Medullary Potassium (ROMK) Channel as Treatments for Hypertension and Heart Failure. Abdel-Magid AF.: Potential of Renal Outer Medullary Potassium (ROMK) Channel as Treatments for Hypertension and Heart Failure. ACS Med Chem Lett, Volume 8 (1), 2017 ACS Med Chem Lett 2017 28105264
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
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: 7
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: 7
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
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
Total passive interactions: 0
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: 7
Adams GL, Velazquez F, Jayne C, Shah U, Miao S, Ashley ER,...
Adams GL, Velazquez F, Jayne C, Shah U, Miao S, Ashley ER, Madeira M, Akiyama TE, Di Salvo J, Suzuki T, Wang N, Truong Q, Gilbert E, Zhou D, Verras A, Kirkland M, Pachanski M, Powles M, Yin W, Ujjainwalla F, Venkatraman S, Edmondson SD.
Discovery of Chromane Propionic Acid Analogues as Selective Agonists of GPR120 with in Vivo Activity in Rodents. Adams GL, Velazquez F, Jayne C, Shah U, Miao S, Ashley ER, Madeira M, Akiyama TE, Di Salvo J, Suzuki T, Wang N, Truong Q, Gilbert E, Zhou D, Verras A, Kirkland M, Pachanski M, Powles M, Yin W, Ujjainwalla F, Venkatraman S, Edmondson SD.: Discovery of Chromane Propionic Acid Analogues as Selective Agonists of GPR120 with in Vivo Activity in Rodents. ACS Med Chem Lett, Volume 8 (1), 2017 ACS Med Chem Lett 2017 28105282
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
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
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: 46
Total passive interactions: 0
Total active interactions: 90
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: 22
Total passive interactions: 0
Total active interactions: 25
Ahmad S, Ngu K, Combs DW, Wu SC, Weinstein DS, Liu W, Chen...
Ahmad S, Ngu K, Combs DW, Wu SC, Weinstein DS, Liu W, Chen BC, Chandrasena G, Dorso CR, Kirby M, Atwal KS.
Aminoimidazoles as bioisosteres of acylguanidines: novel, potent, selective and orally bioavailable inhibitors of the... Ahmad S, Ngu K, Combs DW, Wu SC, Weinstein DS, Liu W, Chen BC, Chandrasena G, Dorso CR, Kirby M, Atwal KS.: Aminoimidazoles as bioisosteres of acylguanidines: novel, potent, selective and orally bioavailable inhibitors of the sodium hydrogen exchanger isoform-1. Bioorg Med Chem Lett, Volume 14 (1), 2004 Bioorg Med Chem Lett 2004 14684323
Total substances: 19
Total passive interactions: 0
Total active interactions: 19
Ahmed I., Gokhale R. D., Shah M. V., Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the... Ahmed I., Gokhale R. D., Shah M. V., Patton T. F.: Physicochemical Determinants of Drug Diffusion Across the Conjunctiva, Sclera, and Cornea. J. Pharm. Sci., 76, 583–586,1987. https://doi.or...
Total substances: 6
Total passive interactions: 6
Total active interactions: 0
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: 4
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
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: 2
Total passive interactions: 0
Total active interactions: 3
Alberati D, Ceccarelli SM, Jolidon S, Krafft EA, Kurt A,...
Alberati D, Ceccarelli SM, Jolidon S, Krafft EA, Kurt A, Maier A, Pinard E, Stalder H, Studer D, Thomas AW, Zimmerli D.
Design and synthesis of 4-substituted-8-(2-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one as a novel class of GlyT1... Alberati D, Ceccarelli SM, Jolidon S, Krafft EA, Kurt A, Maier A, Pinard E, Stalder H, Studer D, Thomas AW, Zimmerli D.: Design and synthesis of 4-substituted-8-(2-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one as a novel class of GlyT1 inhibitors: achieving selectivity against the mu opioid and nociceptin/orphanin FQ peptide (NOP) receptors. Bioorg Med Chem Lett, Volume 16 (16), 2006 Bioorg Med Chem Lett 2006 16762548
Total substances: 14
Total passive interactions: 0
Total active interactions: 20
Alberati D, Hainzl D, Jolidon S, Krafft EA, Kurt A, Maier...
Alberati D, Hainzl D, Jolidon S, Krafft EA, Kurt A, Maier A, Pinard E, Thomas AW, Zimmerli D.
Discovery of 4-substituted-8-(2-hydroxy-2-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one as a novel class of highly... Alberati D, Hainzl D, Jolidon S, Krafft EA, Kurt A, Maier A, Pinard E, Thomas AW, Zimmerli D.: Discovery of 4-substituted-8-(2-hydroxy-2-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one as a novel class of highly selective GlyT1 inhibitors with improved metabolic stability. Bioorg Med Chem Lett, Volume 16 (16), 2006 Bioorg Med Chem Lett 2006 16757170
Total substances: 22
Total passive interactions: 0
Total active interactions: 26
Alberati D, Hainzl D, Jolidon S, Kurt A, Pinard E, Thomas...
Alberati D, Hainzl D, Jolidon S, Kurt A, Pinard E, Thomas AW, Zimmerli D.
4-Substituted-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one as a novel class of highly selective GlyT1... Alberati D, Hainzl D, Jolidon S, Kurt A, Pinard E, Thomas AW, Zimmerli D.: 4-Substituted-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one as a novel class of highly selective GlyT1 inhibitors with superior pharmacological and pharmacokinetic parameters. Bioorg Med Chem Lett, Volume 16 (16), 2006 Bioorg Med Chem Lett 2006 16762550
Total substances: 43
Total passive interactions: 0
Total active interactions: 53
Alcalde E, Mesquida N, López-Pérez S, Frigola J, Mercè...
Alcalde E, Mesquida N, López-Pérez S, Frigola J, Mercè R, Holenz J, Pujol M, Hernández E.
Indene-based frameworks targeting the 5-HT6 serotonin receptor: ring constraint in indenylsulfonamides using cyclic... Alcalde E, Mesquida N, López-Pérez S, Frigola J, Mercè R, Holenz J, Pujol M, Hernández E.: Indene-based frameworks targeting the 5-HT6 serotonin receptor: ring constraint in indenylsulfonamides using cyclic amines and structurally abbreviated counterparts. Bioorg Med Chem, Volume 17 (20), 2009 Bioorg Med Chem 2009 19758807
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Alcalde E, Mesquida N, López-Pérez S, Frigola J, Mercè R.
Alcalde E, Mesquida N, López-Pérez S, Frigola J, Mercè R.
Indene-based scaffolds. 2. An indole-indene switch: discovery of novel indenylsulfonamides as 5-HT6 serotonin receptor... Alcalde E, Mesquida N, López-Pérez S, Frigola J, Mercè R.: Indene-based scaffolds. 2. An indole-indene switch: discovery of novel indenylsulfonamides as 5-HT6 serotonin receptor agonists. J Med Chem, Volume 52 (3), 2009 J Med Chem 2009 19159187
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Alexander RL, Bates DJ, Wright MW, King SB, Morrow CS.
Alexander RL, Bates DJ, Wright MW, King SB, Morrow CS.
Modulation of nitrated lipid signaling by multidrug resistance protein 1 (MRP1): glutathione conjugation and... Alexander RL, Bates DJ, Wright MW, King SB, Morrow CS.: Modulation of nitrated lipid signaling by multidrug resistance protein 1 (MRP1): glutathione conjugation and MRP1-mediated efflux inhibit nitrolinoleic acid-induced, PPARgamma-dependent transcription activation. Biochemistry, Volume 45 (25), 2006 Biochemistry 2006 16784241
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Altenkämper M, Bechem B, Perruchon J, Heinrich S, Mädel...
Altenkämper M, Bechem B, Perruchon J, Heinrich S, Mädel A, Ortmann R, Dahse HM, Freunscht E, Wang Y, Rath J, Stich A, Hitzler M, Chiba P, Lanzer M, Schlitzer M.
Antimalarial and antitrypanosomal activity of a series of amide and sulfonamide derivatives of a... Altenkämper M, Bechem B, Perruchon J, Heinrich S, Mädel A, Ortmann R, Dahse HM, Freunscht E, Wang Y, Rath J, Stich A, Hitzler M, Chiba P, Lanzer M, Schlitzer M.: Antimalarial and antitrypanosomal activity of a series of amide and sulfonamide derivatives of a 2,5-diaminobenzophenone. Bioorg Med Chem, Volume 17 (22), 2009 Bioorg Med Chem 2009 19819706
Total substances: 16
Total passive interactions: 0
Total active interactions: 16
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
Total substances: 5
Total passive interactions: 0
Total active interactions: 6
Amato G, Roeloffs R, Rigdon GC, Antonio B, Mersch T,...
Amato G, Roeloffs R, Rigdon GC, Antonio B, Mersch T, McNaughton-Smith G, Wickenden AD, Fritch P, Suto MJ.
N-Pyridyl and Pyrimidine Benzamides as KCNQ2/Q3 Potassium Channel Openers for the Treatment of Epilepsy. Amato G, Roeloffs R, Rigdon GC, Antonio B, Mersch T, McNaughton-Smith G, Wickenden AD, Fritch P, Suto MJ.: N-Pyridyl and Pyrimidine Benzamides as KCNQ2/Q3 Potassium Channel Openers for the Treatment of Epilepsy. ACS Med Chem Lett, Volume 2 (6), 2011 ACS Med Chem Lett 2011 24900334
Total substances: 1
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
Total substances: 1
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: 4
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
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Andrés JI, De Angelis M, Alcázar J, Iturrino L, Langlois...
Andrés JI, De Angelis M, Alcázar J, Iturrino L, Langlois X, Dedeurwaerdere S, Lenaerts I, Vanhoof G, Celen S, Bormans G.
Synthesis, in vivo occupancy, and radiolabeling of potent phosphodiesterase subtype-10 inhibitors as candidates for... Andrés JI, De Angelis M, Alcázar J, Iturrino L, Langlois X, Dedeurwaerdere S, Lenaerts I, Vanhoof G, Celen S, Bormans G.: Synthesis, in vivo occupancy, and radiolabeling of potent phosphodiesterase subtype-10 inhibitors as candidates for positron emission tomography imaging. J Med Chem, Volume 54 (16), 2011 J Med Chem 2011 21777010
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
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: 23
Total passive interactions: 0
Total active interactions: 62
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: 26
Total passive interactions: 0
Total active interactions: 68
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: 25
Total passive interactions: 0
Total active interactions: 75
Annedi SC, Ramnauth J, Maddaford SP, Renton P, Rakhit S,...
Annedi SC, Ramnauth J, Maddaford SP, Renton P, Rakhit S, Mladenova G, Dove P, Silverman S, Andrews JS, Felice MD, Porreca F.
Discovery of cis-N-(1-(4-(methylamino)cyclohexyl)indolin-6-yl)thiophene-2-carboximidamide: a 1,6-disubstituted indoline... Annedi SC, Ramnauth J, Maddaford SP, Renton P, Rakhit S, Mladenova G, Dove P, Silverman S, Andrews JS, Felice MD, Porreca F.: Discovery of cis-N-(1-(4-(methylamino)cyclohexyl)indolin-6-yl)thiophene-2-carboximidamide: a 1,6-disubstituted indoline derivative as a highly selective inhibitor of human neuronal nitric oxide synthase (nNOS) without any cardiovascular liabilities. J Med Chem, Volume 55 (2), 2012 J Med Chem 2012 22175766
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
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: 14
Total passive interactions: 0
Total active interactions: 31
Arisawa M, Kasaya Y, Obata T, Sasaki T, Nakamura T, Araki...
Arisawa M, Kasaya Y, Obata T, Sasaki T, Nakamura T, Araki T, Yamamoto K, Sasaki A, Yamano A, Ito M, Abe H, Ito Y, Shuto S.
Design and synthesis of indomethacin analogues that inhibit P-glycoprotein and/or multidrug resistant protein without... Arisawa M, Kasaya Y, Obata T, Sasaki T, Nakamura T, Araki T, Yamamoto K, Sasaki A, Yamano A, Ito M, Abe H, Ito Y, Shuto S.: Design and synthesis of indomethacin analogues that inhibit P-glycoprotein and/or multidrug resistant protein without COX inhibitory activity. J Med Chem, Volume 55 (18), 2012 J Med Chem 2012 22916727
Total substances: 8
Total passive interactions: 0
Total active interactions: 8
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
Arnaud O, Koubeissi A, Ettouati L, Terreux R, Alamé G,...
Arnaud O, Koubeissi A, Ettouati L, Terreux R, Alamé G, Grenot C, Dumontet C, Di Pietro A, Paris J, Falson P.
Potent and fully noncompetitive peptidomimetic inhibitor of multidrug resistance P-glycoprotein. Arnaud O, Koubeissi A, Ettouati L, Terreux R, Alamé G, Grenot C, Dumontet C, Di Pietro A, Paris J, Falson P.: Potent and fully noncompetitive peptidomimetic inhibitor of multidrug resistance P-glycoprotein. J Med Chem, Volume 53 (18), 2010 J Med Chem 2010 20731360
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Artursson, P. & Karlsson, J.: Correlation between oral drug absorption in humans and apparent drug permeability... 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., 175, 880–885, 1991. 0.1016/0006-291...
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: 12
Total passive interactions: 0
Total active interactions: 22
Asagarasu A, Matsui T, Hayashi H, Tamaoki S, Yamauchi Y,...
Asagarasu A, Matsui T, Hayashi H, Tamaoki S, Yamauchi Y, Minato K, Sato M.
Discovery of a novel 5-HT(3) antagonist/5-HT(1A) agonist... Asagarasu A, Matsui T, Hayashi H, Tamaoki S, Yamauchi Y, Minato K, Sato M.: Discovery of a novel 5-HT(3) antagonist/5-HT(1A) agonist 3-amino-5,6,7,8-tetrahydro-2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}quinazolin-4(3H)-one (TZB-30878) as an orally bioavailable agent for irritable bowel syndrome. J Med Chem, Volume 53 (21), 2010 J Med Chem 2010 20931963
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
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: 4
Assaad T, Mavel S, Parsons SM, Kruse S, Galineau L,...
Assaad T, Mavel S, Parsons SM, Kruse S, Galineau L, Allouchi H, Kassiou M, Chalon S, Guilloteau D, Emond P.
Synthesis and in vitro evaluation of N-substituted aza-trozamicol analogs as vesicular acetylcholine transporter... Assaad T, Mavel S, Parsons SM, Kruse S, Galineau L, Allouchi H, Kassiou M, Chalon S, Guilloteau D, Emond P.: Synthesis and in vitro evaluation of N-substituted aza-trozamicol analogs as vesicular acetylcholine transporter ligands. Bioorg Med Chem Lett, Volume 16 (10), 2006 Bioorg Med Chem Lett 2006 16516472
Total substances: 22
Total passive interactions: 0
Total active interactions: 22
Assaf Z, Larsen AP, Venskutonytė R, Han L, Abrahamsen B,...
Assaf Z, Larsen AP, Venskutonytė R, Han L, Abrahamsen B, Nielsen B, Gajhede M, Kastrup JS, Jensen AA, Pickering DS, Frydenvang K, Gefflaut T, Bunch L.
Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship... Assaf Z, Larsen AP, Venskutonytė R, Han L, Abrahamsen B, Nielsen B, Gajhede M, Kastrup JS, Jensen AA, Pickering DS, Frydenvang K, Gefflaut T, Bunch L.: Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters. J Med Chem, Volume 56 (4), 2013 J Med Chem 2013 23414088
Total substances: 12
Total passive interactions: 0
Total active interactions: 24
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: 24
Total passive interactions: 0
Total active interactions: 27
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
Augustyn E, Finke K, Zur AA, Hansen L, Heeren N, Chien HC,...
Augustyn E, Finke K, Zur AA, Hansen L, Heeren N, Chien HC, Lin L, Giacomini KM, Colas C, Schlessinger A, Thomas AA.
LAT-1 activity of meta-substituted phenylalanine and tyrosine analogs. Augustyn E, Finke K, Zur AA, Hansen L, Heeren N, Chien HC, Lin L, Giacomini KM, Colas C, Schlessinger A, Thomas AA.: LAT-1 activity of meta-substituted phenylalanine and tyrosine analogs. Bioorg Med Chem Lett, Volume 26 (11), 2016 Bioorg Med Chem Lett 2016 27106710
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Avdeef A., Tsinman O.: PAMPA - A drug absorption in vitro model: 13. Chemical selectivity due to membrane hydrogen... 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., 28, 43–50, 2006. 10.1016/j.ejps....
Total substances: 38
Total passive interactions: 48
Total active interactions: 0
Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water... Avdeef A., Box K.J., Comer J.E.A., Hibbert C., Tam K.Y.: pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs, Pharm Res, 5(2), 209-215, 1998. 10.1023/A:10119...
Total substances: 8
Total passive interactions: 16
Total active interactions: 0
Avdeef A., Nielsen P. E., Tsinman O.: PAMPA—a drug absorption in vitro model: 11. Matching the in vivo unstirred... Avdeef A., Nielsen P. E., Tsinman O.: PAMPA—a drug absorption in vitro model: 11. Matching the in vivo unstirred water layer thickness by individual-well stirring in microtitre plates. Eur. J. Pharm. Sci., 22, 365–374, 2004. https://doi.org...
Total substances: 39
Total passive interactions: 39
Total active interactions: 0
Avdeef A.: Absorption and Drug Development: Solubility, Permeability, and Charge State; Chapter 7. Table 7.5. (2003)... Avdeef A.: Absorption and Drug Development: Solubility, Permeability, and Charge State; Chapter 7. Table 7.5. (2003) Wiley & Sons 10.1002/0471450...
Total substances: 32
Total passive interactions: 32
Total active interactions: 0
Axford L, Boot JR, Hotten TM, Keenan M, Martin FM,...
Axford L, Boot JR, Hotten TM, Keenan M, Martin FM, Milutinovic S, Moore NA, O'Neill MF, Pullar IA, Tupper DE, Van Belle KR, Vivien V.
Bicyclo[2.2.1]heptanes as novel triple re-uptake inhibitors for the treatment of depression. Axford L, Boot JR, Hotten TM, Keenan M, Martin FM, Milutinovic S, Moore NA, O'Neill MF, Pullar IA, Tupper DE, Van Belle KR, Vivien V.: Bicyclo[2.2.1]heptanes as novel triple re-uptake inhibitors for the treatment of depression. Bioorg Med Chem Lett, Volume 13 (19), 2003 Bioorg Med Chem Lett 2003 12951108
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Axten JM, Medina JR, Feng Y, Shu A, Romeril SP, Grant SW,...
Axten JM, Medina JR, Feng Y, Shu A, Romeril SP, Grant SW, Li WH, Heerding DA, Minthorn E, Mencken T, Atkins C, Liu Q, Rabindran S, Kumar R, Hong X, Goetz A, Stanley T, Taylor JD, Sigethy SD, Tomberlin GH, Hassell AM, Kahler KM, Shewchuk LM, Gampe RT.
Discovery of... Axten JM, Medina JR, Feng Y, Shu A, Romeril SP, Grant SW, Li WH, Heerding DA, Minthorn E, Mencken T, Atkins C, Liu Q, Rabindran S, Kumar R, Hong X, Goetz A, Stanley T, Taylor JD, Sigethy SD, Tomberlin GH, Hassell AM, Kahler KM, Shewchuk LM, Gampe RT.: Discovery of 7-methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a potent and selective first-in-class inhibitor of protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK). J Med Chem, Volume 55 (16), 2012 J Med Chem 2012 22827572
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
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: 8
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: 6
Bacalum M., Wang L. N., Boodts S., Yuan P. J., Leen V., Smisdom N., Fron E., Knippenberg S., Fabre G., Trouillas P.,... Bacalum M., Wang L. N., Boodts S., Yuan P. J., 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, 32, 3495, 2016. 10.1021/acs.lan...
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
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: 12
Total passive interactions: 0
Total active interactions: 47
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: 22
Total passive interactions: 0
Total active interactions: 47
Bagal SK, Chapman ML, Marron BE, Prime R, Storer RI, Swain...
Bagal SK, Chapman ML, Marron BE, Prime R, Storer RI, Swain NA.
Recent progress in sodium channel modulators for pain. Bagal SK, Chapman ML, Marron BE, Prime R, Storer RI, Swain NA.: Recent progress in sodium channel modulators for pain. Bioorg Med Chem Lett, Volume 24 (16), 2014 Bioorg Med Chem Lett 2014 25060923
Total substances: 24
Total passive interactions: 0
Total active interactions: 26
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: 4
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: 20
Total passive interactions: 0
Total active interactions: 21
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: 2
Bakos E, Evers R, Szakács G, Tusnády GE, Welker E, Szabó...
Bakos E, Evers R, Szakács G, Tusnády GE, Welker E, Szabó K, de Haas M, van Deemter L, Borst P, Váradi A, Sarkadi B.
Functional multidrug resistance protein (MRP1) lacking the N-terminal transmembrane domain. Bakos E, Evers R, Szakács G, Tusnády GE, Welker E, Szabó K, de Haas M, van Deemter L, Borst P, Váradi A, Sarkadi B.: Functional multidrug resistance protein (MRP1) lacking the N-terminal transmembrane domain. J Biol Chem, Volume 273 (48), 1998 J Biol Chem 1998 9822694
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: 4
Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based... Balimane P. V., Pace E., Chong S., Zhu M., Jemal M., Van Pelt C. V. A novel high-throughput automated chip-based nanoelectrospray tandem mass spectrometric method for PAMPA sample analysis. (2005), 39, 8-16 10.1016/j.jpba....
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
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: 9
Total passive interactions: 0
Total active interactions: 9
Banister SD, Moussa IA, Beinat C, Reynolds AJ, Schiavini P,...
Banister SD, Moussa IA, Beinat C, Reynolds AJ, Schiavini P, Jorgensen WT, Kassiou M.
Trishomocubane as a scaffold for the development of selective dopamine transporter (DAT) ligands. Banister SD, Moussa IA, Beinat C, Reynolds AJ, Schiavini P, Jorgensen WT, Kassiou M.: Trishomocubane as a scaffold for the development of selective dopamine transporter (DAT) ligands. Bioorg Med Chem Lett, Volume 21 (1), 2011 Bioorg Med Chem Lett 2011 21146989
Total substances: 3
Total passive interactions: 0
Total active interactions: 7
Banister SD, Moussa IA, Jordan MJ, Coster MJ, Kassiou M.
Banister SD, Moussa IA, Jordan MJ, Coster MJ, Kassiou M.
Oxo-bridged isomers of aza-trishomocubane sigma (sigma) receptor ligands: Synthesis, in vitro binding, and molecular... Banister SD, Moussa IA, Jordan MJ, Coster MJ, Kassiou M.: Oxo-bridged isomers of aza-trishomocubane sigma (sigma) receptor ligands: Synthesis, in vitro binding, and molecular modeling. Bioorg Med Chem Lett, Volume 20 (1), 2010 Bioorg Med Chem Lett 2010 19954972
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: 5
Total passive interactions: 0
Total active interactions: 6
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: 2
Total passive interactions: 0
Total active interactions: 2
Bao X, Lu S, Liow JS, Zoghbi SS, Jenko KJ, Clark DT,...
Bao X, Lu S, Liow JS, Zoghbi SS, Jenko KJ, Clark DT, Gladding RL, Innis RB, Pike VW.
Radiosynthesis and evaluation of an (18)F-labeled positron emission tomography (PET) radioligand for brain histamine... Bao X, Lu S, Liow JS, Zoghbi SS, Jenko KJ, Clark DT, Gladding RL, Innis RB, Pike VW.: Radiosynthesis and evaluation of an (18)F-labeled positron emission tomography (PET) radioligand for brain histamine subtype-3 receptors based on a nonimidazole 2-aminoethylbenzofuran chemotype. J Med Chem, Volume 55 (5), 2012 J Med Chem 2012 22313227
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
Barucha-Kraszewska J., Kraszewski S., Jurkiewicz P., Ramseyer C., Hof M.: Numerical studies of the membrane... 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, 1798, 1724–1734, 2010. 10.1016/j.bbame...
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Barzanti C., Evans R., Fouquet J., Gouzin L., Howarth N. M., Kean G., Levet E., Wang D., Wayemberg E., Yeboah A. A.,... 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. 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
Total substances: 6
Total passive interactions: 0
Total active interactions: 7
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: 2
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: 23
Total passive interactions: 0
Total active interactions: 23
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
Beebe X, Yeung CM, Darczak D, Shekhar S, Vortherms TA,...
Beebe X, Yeung CM, Darczak D, Shekhar S, Vortherms TA, Miller L, Milicic I, Swensen AM, Zhu CZ, Banfor P, Wetter JM, Marsh KC, Jarvis MF, Scott VE, Schrimpf MR, Lee CH.
Synthesis and SAR of 4-aminocyclopentapyrrolidines as orally active N-type calcium channel inhibitors for inflammatory... Beebe X, Yeung CM, Darczak D, Shekhar S, Vortherms TA, Miller L, Milicic I, Swensen AM, Zhu CZ, Banfor P, Wetter JM, Marsh KC, Jarvis MF, Scott VE, Schrimpf MR, Lee CH.: Synthesis and SAR of 4-aminocyclopentapyrrolidines as orally active N-type calcium channel inhibitors for inflammatory and neuropathic pain. Bioorg Med Chem Lett, Volume 23 (17), 2013 Bioorg Med Chem Lett 2013 23876987
Total substances: 19
Total passive interactions: 0
Total active interactions: 19
Bell IM, Stump CA, Gallicchio SN, Staas DD, Zartman CB,...
Bell IM, Stump CA, Gallicchio SN, Staas DD, Zartman CB, Moore EL, Sain N, Urban M, Bruno JG, Calamari A, Kemmerer AL, Mosser SD, Fandozzi C, White RB, Zrada MM, Selnick HG, Graham SL, Vacca JP, Kane SA, Salvatore CA.
MK-8825: a potent and selective CGRP receptor antagonist with good oral activity in rats. Bell IM, Stump CA, Gallicchio SN, Staas DD, Zartman CB, Moore EL, Sain N, Urban M, Bruno JG, Calamari A, Kemmerer AL, Mosser SD, Fandozzi C, White RB, Zrada MM, Selnick HG, Graham SL, Vacca JP, Kane SA, Salvatore CA.: MK-8825: a potent and selective CGRP receptor antagonist with good oral activity in rats. Bioorg Med Chem Lett, Volume 22 (12), 2012 Bioorg Med Chem Lett 2012 22607672
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
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
Berglund S, Egner BJ, Gradén H, Gradén J, Morgan DG,...
Berglund S, Egner BJ, Gradén H, Gradén J, Morgan DG, Inghardt T, Giordanetto F.
Optimization of 2-piperidin-4-yl-acetamides as melanin-concentrating hormone receptor 1 (MCH-R1) antagonists: Designing... Berglund S, Egner BJ, Gradén H, Gradén J, Morgan DG, Inghardt T, Giordanetto F.: Optimization of 2-piperidin-4-yl-acetamides as melanin-concentrating hormone receptor 1 (MCH-R1) antagonists: Designing out hERG inhibition. Bioorg Med Chem Lett, Volume 19 (15), 2009 Bioorg Med Chem Lett 2009 19500979
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman K., Artursson P.: Absorption Classification of Oral... Bergstrom C. A. S., Strafford M., Lazarova L., Avdeef A., Luthman K., Artursson P.: Absorption Classification of Oral Drugs Based on Molecular Surface Properties. J. Med. Chem., 46(4), 558-570, 2003. 10.1021/jm02098...
Total substances: 22
Total passive interactions: 22
Total active interactions: 0
Berka P, Stránská D, Semecký V, Berka K, Doležal P: In vitro testing of flash-frozen sublingual membranes for... 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., 572, 118711, 2019. https://doi.org...
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues... Bermejo M., Avdeef A., Ruiz A., Nalda R., Ruell J.A., Tsinman O., González I., Fernández C., Sánchez G., Garrigues T.M, 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. 21, 429–441, 2004. 10.1016/j.ejps....
Total substances: 20
Total passive interactions: 29
Total active interactions: 0
Bertron JL, Ennis EA, Tarr CJ, Wright J, Dickerson JW,...
Bertron JL, Ennis EA, Tarr CJ, Wright J, Dickerson JW, Locuson CW, Blobaum AL, Rook JM, Blakely RD, Lindsley CW.
Optimization of the choline transporter (CHT) inhibitor ML352: Development of VU6001221, an improved in vivo tool... Bertron JL, Ennis EA, Tarr CJ, Wright J, Dickerson JW, Locuson CW, Blobaum AL, Rook JM, Blakely RD, Lindsley CW.: Optimization of the choline transporter (CHT) inhibitor ML352: Development of VU6001221, an improved in vivo tool compound. Bioorg Med Chem Lett, Volume 26 (19), 2016 Bioorg Med Chem Lett 2016 27575469
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
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: 76
Total passive interactions: 0
Total active interactions: 247
Bezençon O, Remeň L, Richard S, Roch C, Kessler M, Ertel...
Bezençon O, Remeň L, Richard S, Roch C, Kessler M, Ertel EA, Moon R, Mawet J, Pfeifer T, Capeleto B.
Discovery and evaluation of Cav3.2-selective T-type calcium channel blockers. Bezençon O, Remeň L, Richard S, Roch C, Kessler M, Ertel EA, Moon R, Mawet J, Pfeifer T, Capeleto B.: Discovery and evaluation of Cav3.2-selective T-type calcium channel blockers. Bioorg Med Chem Lett, Volume 27 (23), 2017 Bioorg Med Chem Lett 2017 29074257
Total substances: 37
Total passive interactions: 0
Total active interactions: 112
Bezençon O, Remeň L, Richard S, Roch C, Kessler M, Moon...
Bezençon O, Remeň L, Richard S, Roch C, Kessler M, Moon R, Mawet J, Ertel EA, Pfeifer T, Capeleto B.
Discovery and evaluation of Cav3.1-selective T-type calcium channel blockers. Bezençon O, Remeň L, Richard S, Roch C, Kessler M, Moon R, Mawet J, Ertel EA, Pfeifer T, Capeleto B.: Discovery and evaluation of Cav3.1-selective T-type calcium channel blockers. Bioorg Med Chem Lett, Volume 27 (23), 2017 Bioorg Med Chem Lett 2017 29066309
Total substances: 29
Total passive interactions: 0
Total active interactions: 87
Bhat L, Jandeleit B, Dias TM, Moors TL, Gallop MA.
Bhat L, Jandeleit B, Dias TM, Moors TL, Gallop MA.
Synthesis and biological evaluation of novel steroidal pyrazoles as substrates for bile acid transporters. Bhat L, Jandeleit B, Dias TM, Moors TL, Gallop MA.: Synthesis and biological evaluation of novel steroidal pyrazoles as substrates for bile acid transporters. Bioorg Med Chem Lett, Volume 15 (1), 2005 Bioorg Med Chem Lett 2005 15582416
Total substances: 10
Total passive interactions: 0
Total active interactions: 20
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: 20
Total passive interactions: 0
Total active interactions: 24
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: 2
Bin JW, Wong IL, Hu X, Yu ZX, Xing LF, Jiang T, Chow LM,...
Bin JW, Wong IL, Hu X, Yu ZX, Xing LF, Jiang T, Chow LM, Biao WS.
Structure-activity relationship study of permethyl ningalin B analogues as P-glycoprotein chemosensitizers. Bin JW, Wong IL, Hu X, Yu ZX, Xing LF, Jiang T, Chow LM, Biao WS.: Structure-activity relationship study of permethyl ningalin B analogues as P-glycoprotein chemosensitizers. J Med Chem, Volume 56 (22), 2013 J Med Chem 2013 24171478
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic... Bittermann. K., Goss. K.-U.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. 2017, PLOS ONE, 12(2), e0190319 10.1371/journal...
Total substances: 148
Total passive interactions: 148
Total active interactions: 0
Black PN, Ahowesso C, Montefusco D, Saini N, DiRusso CC.
Black PN, Ahowesso C, Montefusco D, Saini N, DiRusso CC.
Fatty Acid Transport Proteins: Targeting FATP2 as a Gatekeeper Involved in the Transport of Exogenous Fatty Acids. Black PN, Ahowesso C, Montefusco D, Saini N, DiRusso CC.: Fatty Acid Transport Proteins: Targeting FATP2 as a Gatekeeper Involved in the Transport of Exogenous Fatty Acids. Medchemcomm, Volume 7 (4), 2016 Medchemcomm 2016 27446528
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Blackaby WP, Lewis RT, Thomson JL, Jennings AS, Goodacre...
Blackaby WP, Lewis RT, Thomson JL, Jennings AS, Goodacre SC, Street LJ, MacLeod AM, Pike A, Wood S, Thomas S, Brown TA, Smith A, Pillai G, Almond S, Guscott MR, Burns HD, Eng W, Ryan C, Cook J, Hamill TG.
Identification of an Orally Bioavailable, Potent, and Selective Inhibitor of GlyT1. Blackaby WP, Lewis RT, Thomson JL, Jennings AS, Goodacre SC, Street LJ, MacLeod AM, Pike A, Wood S, Thomas S, Brown TA, Smith A, Pillai G, Almond S, Guscott MR, Burns HD, Eng W, Ryan C, Cook J, Hamill TG.: Identification of an Orally Bioavailable, Potent, and Selective Inhibitor of GlyT1. ACS Med Chem Lett, Volume 1 (7), 2010 ACS Med Chem Lett 2010 24900218
Total substances: 5
Total passive interactions: 0
Total active interactions: 5
Blackburn C, Guan B, Brown J, Cullis C, Condon SM, Jenkins...
Blackburn C, Guan B, Brown J, Cullis C, Condon SM, Jenkins TJ, Peluso S, Ye Y, Gimeno RE, Punreddy S, Sun Y, Wu H, Hubbard B, Kaushik V, Tummino P, Sanchetti P, Yu Sun D, Daniels T, Tozzo E, Balani SK, Raman P.
Identification and characterization of 4-aryl-3,4-dihydropyrimidin-2(1H)-ones as inhibitors of the fatty acid... Blackburn C, Guan B, Brown J, Cullis C, Condon SM, Jenkins TJ, Peluso S, Ye Y, Gimeno RE, Punreddy S, Sun Y, Wu H, Hubbard B, Kaushik V, Tummino P, Sanchetti P, Yu Sun D, Daniels T, Tozzo E, Balani SK, Raman P.: Identification and characterization of 4-aryl-3,4-dihydropyrimidin-2(1H)-ones as inhibitors of the fatty acid transporter FATP4. Bioorg Med Chem Lett, Volume 16 (13), 2006 Bioorg Med Chem Lett 2006 16644217
Total substances: 22
Total passive interactions: 0
Total active interactions: 22
Blass B.
Blass B.
Bicyclic Ketone Sulfonamide Compounds. Blass B.: Bicyclic Ketone Sulfonamide Compounds. ACS Med Chem Lett, Volume 8 (3), 2017 ACS Med Chem Lett 2017 28337316
Total substances: 16
Total passive interactions: 0
Total active interactions: 16
Blass B.
Blass B.
Cyclopropyl-spiro-piperidines Useful as Sodium Channel Blockers: Patent Highlight. Blass B.: Cyclopropyl-spiro-piperidines Useful as Sodium Channel Blockers: Patent Highlight. ACS Med Chem Lett, Volume 3 (9), 2012 ACS Med Chem Lett 2012 24900534
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
Blass B.
Blass B.
Inhibitors of Renal Outer Medullary Potassium Channel. Blass B.: Inhibitors of Renal Outer Medullary Potassium Channel. ACS Med Chem Lett, Volume 7 (5), 2016 ACS Med Chem Lett 2016 27190590
Total substances: 11
Total passive interactions: 0
Total active interactions: 11
Blass B.
Blass B.
Inhibitors of the Renal Outer Medullary Potassium Channel. Blass B.: Inhibitors of the Renal Outer Medullary Potassium Channel. ACS Med Chem Lett, Volume 6 (8), 2015 ACS Med Chem Lett 2015 26288678
Total substances: 11
Total passive interactions: 0
Total active interactions: 11
Blass B.
Blass B.
Sodium Channel Blockers. Blass B.: Sodium Channel Blockers. ACS Med Chem Lett, Volume 8 (3), 2017 ACS Med Chem Lett 2017 28337315
Total substances: 22
Total passive interactions: 0
Total active interactions: 22
Blass B.
Blass B.
Substituted pyridines as sodium channel blockers: patent highlight. Blass B.: Substituted pyridines as sodium channel blockers: patent highlight. ACS Med Chem Lett, Volume 3 (9), 2012 ACS Med Chem Lett 2012 24900533
Total substances: 9
Total passive interactions: 0
Total active interactions: 9
Blass B.
Blass B.
Sulfonamide Compounds as Voltage Gated Sodium Channel Modulators. Blass B.: Sulfonamide Compounds as Voltage Gated Sodium Channel Modulators. ACS Med Chem Lett, Volume 6 (12), 2015 ACS Med Chem Lett 2015 26713098
Total substances: 14
Total passive interactions: 0
Total active interactions: 14
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
Total substances: 1
Total passive interactions: 0
Total active interactions: 4
Blass BE.
Blass BE.
Acyl Sulfonamides NaV1.7 Blockers Useful for the Treatment of Pain. Blass BE.: Acyl Sulfonamides NaV1.7 Blockers Useful for the Treatment of Pain. ACS Med Chem Lett, Volume 9 (3), 2018 ACS Med Chem Lett 2018 29541350
Total substances: 8
Total passive interactions: 0
Total active interactions: 16
Blough BE, Landavazo A, Partilla JS, Baumann MH, Decker AM,...
Blough BE, Landavazo A, Partilla JS, Baumann MH, Decker AM, Page KM, Rothman RB.
Hybrid dopamine uptake blocker-serotonin releaser ligands: a new twist on transporter-focused therapeutics. Blough BE, Landavazo A, Partilla JS, Baumann MH, Decker AM, Page KM, Rothman RB.: Hybrid dopamine uptake blocker-serotonin releaser ligands: a new twist on transporter-focused therapeutics. ACS Med Chem Lett, Volume 5 (6), 2014 ACS Med Chem Lett 2014 24944732
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Blunt R, Porter R, Johns A, Nash D, Puckey G, Wyman P,...
Blunt R, Porter R, Johns A, Nash D, Puckey G, Wyman P, Herdon H, Teague S, Hadden V, Fontana S, Gordon L.
Acylglycinamides as inhibitors of glycine transporter type 1. Blunt R, Porter R, Johns A, Nash D, Puckey G, Wyman P, Herdon H, Teague S, Hadden V, Fontana S, Gordon L.: Acylglycinamides as inhibitors of glycine transporter type 1. Bioorg Med Chem Lett, Volume 21 (20), 2011 Bioorg Med Chem Lett 2011 21889344
Total substances: 39
Total passive interactions: 0
Total active interactions: 66
Boezio AA, Andrews K, Boezio C, Chu-Moyer M, Copeland KW,...
Boezio AA, Andrews K, Boezio C, Chu-Moyer M, Copeland KW, DiMauro EF, Foti RS, Fremeau RT, Gao H, Geuns-Meyer S, Graceffa RF, Gunaydin H, Huang H, La DS, Ligutti J, Moyer BD, Peterson EA, Yu V, Weiss MM.
1,2,4-Triazolsulfone: A novel isosteric replacement of acylsulfonamides in the context of NaV1.7 inhibition. Boezio AA, Andrews K, Boezio C, Chu-Moyer M, Copeland KW, DiMauro EF, Foti RS, Fremeau RT, Gao H, Geuns-Meyer S, Graceffa RF, Gunaydin H, Huang H, La DS, Ligutti J, Moyer BD, Peterson EA, Yu V, Weiss MM.: 1,2,4-Triazolsulfone: A novel isosteric replacement of acylsulfonamides in the context of NaV1.7 inhibition. Bioorg Med Chem Lett, Volume 28 (11), 2018 Bioorg Med Chem Lett 2018 29709252
Total substances: 16
Total passive interactions: 0
Total active interactions: 28
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: 6
Total passive interactions: 0
Total active interactions: 7
Boot JR, Boulet SL, Clark BP, Cases-Thomas MJ, Delhaye L,...
Boot JR, Boulet SL, Clark BP, Cases-Thomas MJ, Delhaye L, Diker K, Fairhurst J, Findlay J, Gallagher PT, Gilmore J, Harris JR, Masters JJ, Mitchell SN, Naik M, Simmonds RG, Smith SM, Richards SJ, Timms GH, Whatton MA, Wolfe CN, Wood VA.
N-Alkyl-N-arylmethylpiperidin-4-amines: novel dual inhibitors of serotonin and norepinephrine reuptake. Boot JR, Boulet SL, Clark BP, Cases-Thomas MJ, Delhaye L, Diker K, Fairhurst J, Findlay J, Gallagher PT, Gilmore J, Harris JR, Masters JJ, Mitchell SN, Naik M, Simmonds RG, Smith SM, Richards SJ, Timms GH, Whatton MA, Wolfe CN, Wood VA.: N-Alkyl-N-arylmethylpiperidin-4-amines: novel dual inhibitors of serotonin and norepinephrine reuptake. Bioorg Med Chem Lett, Volume 16 (10), 2006 Bioorg Med Chem Lett 2006 16497500
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
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: 6
Total passive interactions: 0
Total active interactions: 9
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
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: 3
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: 11
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: 14
Total passive interactions: 0
Total active interactions: 15
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
Boy KM, Dee M, Yevich J, Torrente J, Gao Q, Iben L, Stark...
Boy KM, Dee M, Yevich J, Torrente J, Gao Q, Iben L, Stark A, Mattson RJ.
Ligand conformation has a definitive effect on 5-HT1A and serotonin reuptake affinity. Boy KM, Dee M, Yevich J, Torrente J, Gao Q, Iben L, Stark A, Mattson RJ.: Ligand conformation has a definitive effect on 5-HT1A and serotonin reuptake affinity. Bioorg Med Chem Lett, Volume 14 (17), 2004 Bioorg Med Chem Lett 2004 15357973
Total substances: 23
Total passive interactions: 0
Total active interactions: 23
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
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: 2
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: 39
Total passive interactions: 0
Total active interactions: 48
Bregman H, Nguyen HN, Feric E, Ligutti J, Liu D, McDermott...
Bregman H, Nguyen HN, Feric E, Ligutti J, Liu D, McDermott JS, Wilenkin B, Zou A, Huang L, Li X, McDonough SI, Dimauro EF.
The discovery of aminopyrazines as novel, potent Na(v)1.7 antagonists: hit-to-lead identification and SAR. Bregman H, Nguyen HN, Feric E, Ligutti J, Liu D, McDermott JS, Wilenkin B, Zou A, Huang L, Li X, McDonough SI, Dimauro EF.: The discovery of aminopyrazines as novel, potent Na(v)1.7 antagonists: hit-to-lead identification and SAR. Bioorg Med Chem Lett, Volume 22 (5), 2012 Bioorg Med Chem Lett 2012 22306122
Total substances: 41
Total passive interactions: 0
Total active interactions: 62
Bright SA, Brinkø A, Larsen MT, Sinning S, Williams DC,...
Bright SA, Brinkø A, Larsen MT, Sinning S, Williams DC, Jensen HH.
Basic N-interlinked imipramines show apoptotic activity against malignant cells including Burkitt's lymphoma. Bright SA, Brinkø A, Larsen MT, Sinning S, Williams DC, Jensen HH.: Basic N-interlinked imipramines show apoptotic activity against malignant cells including Burkitt's lymphoma. Bioorg Med Chem Lett, Volume 23 (5), 2013 Bioorg Med Chem Lett 2013 23385211
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
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: 4
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
Total passive interactions: 0
Total active interactions: 2
Brown A, Carlyle I, Clark J, Hamilton W, Gibson S, McGarry...
Brown A, Carlyle I, Clark J, Hamilton W, Gibson S, McGarry G, McEachen S, Rae D, Thorn S, Walker G.
Discovery and SAR of org 24598-a selective glycine uptake inhibitor. Brown A, Carlyle I, Clark J, Hamilton W, Gibson S, McGarry G, McEachen S, Rae D, Thorn S, Walker G.: Discovery and SAR of org 24598-a selective glycine uptake inhibitor. Bioorg Med Chem Lett, Volume 11 (15), 2001 Bioorg Med Chem Lett 2001 11454468
Total substances: 23
Total passive interactions: 0
Total active interactions: 23
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
Total substances: 3
Total passive interactions: 0
Total active interactions: 4
Browne L, Lidster K, Al-Izki S, Clutterbuck L, Posada C,...
Browne L, Lidster K, Al-Izki S, Clutterbuck L, Posada C, Chan AW, Riddall D, Garthwaite J, Baker D, Selwood DL.
Imidazol-1-ylethylindazole voltage-gated sodium channel ligands are neuroprotective during optic neuritis in a mouse... Browne L, Lidster K, Al-Izki S, Clutterbuck L, Posada C, Chan AW, Riddall D, Garthwaite J, Baker D, Selwood DL.: Imidazol-1-ylethylindazole voltage-gated sodium channel ligands are neuroprotective during optic neuritis in a mouse model of multiple sclerosis. J Med Chem, Volume 57 (7), 2014 J Med Chem 2014 24601592
Total substances: 2
Total passive interactions: 0
Total active interactions: 16
Brust A, Palant E, Croker DE, Colless B, Drinkwater R,...
Brust A, Palant E, Croker DE, Colless B, Drinkwater R, Patterson B, Schroeder CI, Wilson D, Nielsen CK, Smith MT, Alewood D, Alewood PF, Lewis RJ.
chi-Conopeptide pharmacophore development: toward a novel class of norepinephrine transporter inhibitor (Xen2174) for... Brust A, Palant E, Croker DE, Colless B, Drinkwater R, Patterson B, Schroeder CI, Wilson D, Nielsen CK, Smith MT, Alewood D, Alewood PF, Lewis RJ.: chi-Conopeptide pharmacophore development: toward a novel class of norepinephrine transporter inhibitor (Xen2174) for pain. J Med Chem, Volume 52 (22), 2009 J Med Chem 2009 19860431
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
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: 7
Total passive interactions: 0
Total active interactions: 11
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: 3
Byrne JA, Strautnieks SS, Mieli-Vergani G, Higgins CF,...
Byrne JA, Strautnieks SS, Mieli-Vergani G, Higgins CF, Linton KJ, Thompson RJ.
The human bile salt export pump: characterization of substrate specificity and identification of inhibitors. Byrne JA, Strautnieks SS, Mieli-Vergani G, Higgins CF, Linton KJ, Thompson RJ.: The human bile salt export pump: characterization of substrate specificity and identification of inhibitors. Gastroenterology, Volume 123 (5), 2002 Gastroenterology 2002 12404239
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
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: 47
Total passive interactions: 0
Total active interactions: 47
Camenisch, G., Alsenz, J., Van De Waterbeemd, H. & Folkers, G.: Estimation of permeability by passive diffusion through... 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 10.1016/S0928-0...
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
Campiani G, Nacci V, Bechelli S, Ciani SM, Garofalo A,...
Campiani G, Nacci V, Bechelli S, Ciani SM, Garofalo A, Fiorini I, Wikström H, de Boer P, Liao Y, Tepper PG, Cagnotto A, Mennini T.
New antipsychotic agents with serotonin and dopamine antagonist properties based on a... Campiani G, Nacci V, Bechelli S, Ciani SM, Garofalo A, Fiorini I, Wikström H, de Boer P, Liao Y, Tepper PG, Cagnotto A, Mennini T.: New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure. J Med Chem, Volume 41 (20), 1998 J Med Chem 1998 9748351
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Capparelli E, Zinzi L, Cantore M, Contino M, Perrone MG,...
Capparelli E, Zinzi L, Cantore M, Contino M, Perrone MG, Luurtsema G, Berardi F, Perrone R, Colabufo NA.
SAR studies on tetrahydroisoquinoline derivatives: the role of flexibility and bioisosterism to raise potency and... Capparelli E, Zinzi L, Cantore M, Contino M, Perrone MG, Luurtsema G, Berardi F, Perrone R, Colabufo NA.: SAR studies on tetrahydroisoquinoline derivatives: the role of flexibility and bioisosterism to raise potency and selectivity toward P-glycoprotein. J Med Chem, Volume 57 (23), 2014 J Med Chem 2014 25379609
Total substances: 16
Total passive interactions: 0
Total active interactions: 18
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
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 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: 45
Total passive interactions: 0
Total active interactions: 48
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: 23
Total passive interactions: 0
Total active interactions: 24
Carroll FI, Blough BE, Huang X, Nie Z, Mascarella SW,...
Carroll FI, Blough BE, Huang X, Nie Z, Mascarella SW, Deschamps J, Navarro HA.
Synthesis and monoamine transporter binding properties of 2,3-cyclo analogues of... Carroll FI, Blough BE, Huang X, Nie Z, Mascarella SW, Deschamps J, Navarro HA.: Synthesis and monoamine transporter binding properties of 2,3-cyclo analogues of 3beta-(4'-aminophenyl)-2beta-tropanemethanol. J Med Chem, Volume 49 (15), 2006 J Med Chem 2006 16854064
Total substances: 15
Total passive interactions: 0
Total active interactions: 33
Carroll FI, Blough BE, Mascarella SW, Navarro HA, Eaton JB,...
Carroll FI, Blough BE, Mascarella SW, Navarro HA, Eaton JB, Lukas RJ, Damaj MI.
Nicotinic acetylcholine receptor efficacy and pharmacological properties of 3-(substituted phenyl)-2β-substituted... Carroll FI, Blough BE, Mascarella SW, Navarro HA, Eaton JB, Lukas RJ, Damaj MI.: Nicotinic acetylcholine receptor efficacy and pharmacological properties of 3-(substituted phenyl)-2β-substituted tropanes. J Med Chem, Volume 53 (23), 2010 J Med Chem 2010 21058665
Total substances: 12
Total passive interactions: 0
Total active interactions: 36
Carroll FI, Blough BE, Mascarella SW, Navarro HA, Eaton JB,...
Carroll FI, Blough BE, Mascarella SW, Navarro HA, Eaton JB, Lukas RJ, Damaj MI.
Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for smoking cessation. Carroll FI, Blough BE, Mascarella SW, Navarro HA, Eaton JB, Lukas RJ, Damaj MI.: Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for smoking cessation. J Med Chem, Volume 53 (5), 2010 J Med Chem 2010 20158204
Total substances: 33
Total passive interactions: 0
Total active interactions: 57
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: 8
Total passive interactions: 0
Total active interactions: 13
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: 15
Total passive interactions: 0
Total active interactions: 20
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: 2
Total passive interactions: 0
Total active interactions: 5
Carter DS, Cai HY, Lee EK, Iyer PS, Lucas MC, Roetz R,...
Carter DS, Cai HY, Lee EK, Iyer PS, Lucas MC, Roetz R, Schoenfeld RC, Weikert RJ.
2-Substituted N-aryl piperazines as novel triple reuptake inhibitors for the treatment of depression. Carter DS, Cai HY, Lee EK, Iyer PS, Lucas MC, Roetz R, Schoenfeld RC, Weikert RJ.: 2-Substituted N-aryl piperazines as novel triple reuptake inhibitors for the treatment of depression. Bioorg Med Chem Lett, Volume 20 (13), 2010 Bioorg Med Chem Lett 2010 20570146
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
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: 6
Total passive interactions: 0
Total active interactions: 11
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: 5
Total passive interactions: 0
Total active interactions: 6
Cashman JR, Voelker T, Zhang HT, O'Donnell JM.
Cashman JR, Voelker T, Zhang HT, O'Donnell JM.
Dual inhibitors of phosphodiesterase-4 and serotonin reuptake. Cashman JR, Voelker T, Zhang HT, O'Donnell JM.: Dual inhibitors of phosphodiesterase-4 and serotonin reuptake. J Med Chem, Volume 52 (6), 2009 J Med Chem 2009 19256502
Total substances: 4
Total passive interactions: 0
Total active interactions: 4
Castagnolo D, Contemori L, Maccari G, Avramova SI, Neri A,...
Castagnolo D, Contemori L, Maccari G, Avramova SI, Neri A, Sgaragli G, Botta M.
From taxuspine x to structurally simplified taxanes with remarkable p-glycoprotein inhibitory activity. Castagnolo D, Contemori L, Maccari G, Avramova SI, Neri A, Sgaragli G, Botta M.: From taxuspine x to structurally simplified taxanes with remarkable p-glycoprotein inhibitory activity. ACS Med Chem Lett, Volume 1 (8), 2010 ACS Med Chem Lett 2010 24900226
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
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: 2
Total passive interactions: 0
Total active interactions: 3
Caulfield WL, Collie IT, Dickins RS, Epemolu O, McGuire R,...
Caulfield WL, Collie IT, Dickins RS, Epemolu O, McGuire R, Hill DR, McVey G, Morphy JR, Rankovic Z, Sundaram H.
The first potent and selective inhibitors of the glycine transporter type 2. Caulfield WL, Collie IT, Dickins RS, Epemolu O, McGuire R, Hill DR, McVey G, Morphy JR, Rankovic Z, Sundaram H.: The first potent and selective inhibitors of the glycine transporter type 2. J Med Chem, Volume 44 (17), 2001 J Med Chem 2001 11495577
Total substances: 12
Total passive interactions: 0
Total active interactions: 16
Ceccarelli SM, Chomienne O, Gubler M, Arduini A.
Ceccarelli SM, Chomienne O, Gubler M, Arduini A.
Carnitine palmitoyltransferase (CPT) modulators: a medicinal chemistry perspective on 35 years of research. Ceccarelli SM, Chomienne O, Gubler M, Arduini A.: Carnitine palmitoyltransferase (CPT) modulators: a medicinal chemistry perspective on 35 years of research. J Med Chem, Volume 54 (9), 2011 J Med Chem 2011 21504156
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Ceccarelli SM, Pinard E, Stalder H, Alberati D.
Ceccarelli SM, Pinard E, Stalder H, Alberati D.
Discovery of N-(2-hydroxy-2-aryl-cyclohexyl) substituted spiropiperidines as GlyT1 antagonists with improved... Ceccarelli SM, Pinard E, Stalder H, Alberati D.: Discovery of N-(2-hydroxy-2-aryl-cyclohexyl) substituted spiropiperidines as GlyT1 antagonists with improved pharmacological profile. Bioorg Med Chem Lett, Volume 16 (2), 2006 Bioorg Med Chem Lett 2006 16246561
Total substances: 24
Total passive interactions: 0
Total active interactions: 39
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
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: 3
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: 4
Chakka N, Bregman H, Du B, Nguyen HN, Buchanan JL, Feric E,...
Chakka N, Bregman H, Du B, Nguyen HN, Buchanan JL, Feric E, Ligutti J, Liu D, McDermott JS, Zou A, McDonough SI, Dimauro EF.
Discovery and hit-to-lead optimization of pyrrolopyrimidines as potent, state-dependent Na(v)1.7 antagonists. Chakka N, Bregman H, Du B, Nguyen HN, Buchanan JL, Feric E, Ligutti J, Liu D, McDermott JS, Zou A, McDonough SI, Dimauro EF.: Discovery and hit-to-lead optimization of pyrrolopyrimidines as potent, state-dependent Na(v)1.7 antagonists. Bioorg Med Chem Lett, Volume 22 (5), 2012 Bioorg Med Chem Lett 2012 22318156
Total substances: 57
Total passive interactions: 0
Total active interactions: 96
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: 10
Total passive interactions: 0
Total active interactions: 17
ChEMBL ChEMBL
Total substances: 1204
Total passive interactions: 0
Total active interactions: 3557
Chen A, Campeau LC, Cauchon E, Chefson A, Ducharme Y, Dubé...
Chen A, Campeau LC, Cauchon E, Chefson A, Ducharme Y, Dubé D, Falgueyret JP, Fournier PA, Gagné S, Grimm E, Han Y, Houle R, Huang JQ, Lacombe P, Laliberté S, Lévesque JF, Liu S, MacDonald D, Mackay B, McKay D, Percival MD, Regan C, Regan H, St-Jacques R, Toulmond S.
Renin inhibitors for the treatment of hypertension: design and optimization of a novel series of pyridone-substituted... Chen A, Campeau LC, Cauchon E, Chefson A, Ducharme Y, Dubé D, Falgueyret JP, Fournier PA, Gagné S, Grimm E, Han Y, Houle R, Huang JQ, Lacombe P, Laliberté S, Lévesque JF, Liu S, MacDonald D, Mackay B, McKay D, Percival MD, Regan C, Regan H, St-Jacques R, Toulmond S.: Renin inhibitors for the treatment of hypertension: design and optimization of a novel series of pyridone-substituted piperidines. Bioorg Med Chem Lett, Volume 21 (13), 2011 Bioorg Med Chem Lett 2011 21621998
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
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: 37
Total passive interactions: 0
Total active interactions: 113
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: 10
Total passive interactions: 0
Total active interactions: 26
Chen C, Stearns B, Hu T, Anker N, Santini A, Arruda JM,...
Chen C, Stearns B, Hu T, Anker N, Santini A, Arruda JM, Campbell BT, Datta P, Aiyar J, Munoz B.
Expedited SAR study of high-affinity ligands to the alpha(2)delta subunit of voltage-gated calcium channels: Generation... Chen C, Stearns B, Hu T, Anker N, Santini A, Arruda JM, Campbell BT, Datta P, Aiyar J, Munoz B.: Expedited SAR study of high-affinity ligands to the alpha(2)delta subunit of voltage-gated calcium channels: Generation of a focused library using a solution-phase Sn2Ar coupling methodology. Bioorg Med Chem Lett, Volume 16 (3), 2006 Bioorg Med Chem Lett 2006 16321528
Total substances: 40
Total passive interactions: 0
Total active interactions: 40
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: 29
Total passive interactions: 0
Total active interactions: 57
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 P, Feng D, Qian X, Apgar J, Wilkening R, Kuethe JT,...
Chen P, Feng D, Qian X, Apgar J, Wilkening R, Kuethe JT, Gao YD, Scapin G, Cox J, Doss G, Eiermann G, He H, Li X, Lyons KA, Metzger J, Petrov A, Wu JK, Xu S, Weber AE, Yan Y, Roy RS, Biftu T.
Structure-activity-relationship of amide and sulfonamide analogs of omarigliptin. Chen P, Feng D, Qian X, Apgar J, Wilkening R, Kuethe JT, Gao YD, Scapin G, Cox J, Doss G, Eiermann G, He H, Li X, Lyons KA, Metzger J, Petrov A, Wu JK, Xu S, Weber AE, Yan Y, Roy RS, Biftu T.: Structure-activity-relationship of amide and sulfonamide analogs of omarigliptin. Bioorg Med Chem Lett, Volume 25 (24), 2015 Bioorg Med Chem Lett 2015 26546218
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Chen X, Mihalic J, Fan P, Liang L, Lindstrom M, Wong S, Ye...
Chen X, Mihalic J, Fan P, Liang L, Lindstrom M, Wong S, Ye Q, Fu Y, Jaen J, Chen JL, Dai K, Li L.
Discovery and characterization of a potent and selective antagonist of melanin-concentrating hormone receptor 2. Chen X, Mihalic J, Fan P, Liang L, Lindstrom M, Wong S, Ye Q, Fu Y, Jaen J, Chen JL, Dai K, Li L.: Discovery and characterization of a potent and selective antagonist of melanin-concentrating hormone receptor 2. Bioorg Med Chem Lett, Volume 22 (1), 2012 Bioorg Med Chem Lett 2012 22123324
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
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: 2
Total passive interactions: 0
Total active interactions: 6
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: 6
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: 2
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: 10
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: 8
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: 4
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 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: 3
Cheshire DR, Åberg A, Andersson GM, Andrews G, Beaton HG,...
Cheshire DR, Åberg A, Andersson GM, Andrews G, Beaton HG, Birkinshaw TN, Boughton-Smith N, Connolly S, Cook TR, Cooper A, Cooper SL, Cox D, Dixon J, Gensmantel N, Hamley PJ, Harrison R, Hartopp P, Käck H, Leeson PD, Luker T, Mete A, Millichip I, Nicholls DJ, Pimm AD, St-Gallay SA, Wallace AV.
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS). Cheshire DR, Åberg A, Andersson GM, Andrews G, Beaton HG, Birkinshaw TN, Boughton-Smith N, Connolly S, Cook TR, Cooper A, Cooper SL, Cox D, Dixon J, Gensmantel N, Hamley PJ, Harrison R, Hartopp P, Käck H, Leeson PD, Luker T, Mete A, Millichip I, Nicholls DJ, Pimm AD, St-Gallay SA, Wallace AV.: The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS). Bioorg Med Chem Lett, Volume 21 (8), 2011 Bioorg Med Chem Lett 2011 21398123
Total substances: 9
Total passive interactions: 0
Total active interactions: 18
Cheung M, Bao W, Behm DJ, Brooks CA, Bury MJ, Dowdell SE,...
Cheung M, Bao W, Behm DJ, Brooks CA, Bury MJ, Dowdell SE, Eidam HS, Fox RM, Goodman KB, Holt DA, Lee D, Roethke TJ, Willette RN, Xu X, Ye G, Thorneloe KS.
Discovery of GSK2193874: An Orally Active, Potent, and Selective Blocker of Transient Receptor Potential Vanilloid 4. Cheung M, Bao W, Behm DJ, Brooks CA, Bury MJ, Dowdell SE, Eidam HS, Fox RM, Goodman KB, Holt DA, Lee D, Roethke TJ, Willette RN, Xu X, Ye G, Thorneloe KS.: Discovery of GSK2193874: An Orally Active, Potent, and Selective Blocker of Transient Receptor Potential Vanilloid 4. ACS Med Chem Lett, Volume 8 (5), 2017 ACS Med Chem Lett 2017 28523109
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
Cheung M, Tangirala RS, Bethi SR, Joshi HV, Ariazi JL,...
Cheung M, Tangirala RS, Bethi SR, Joshi HV, Ariazi JL, Tirunagaru VG, Kumar S.
Discovery of Tetralones as Potent and Selective Inhibitors of Acyl-CoA:Diacylglycerol Acyltransferase 1. Cheung M, Tangirala RS, Bethi SR, Joshi HV, Ariazi JL, Tirunagaru VG, Kumar S.: Discovery of Tetralones as Potent and Selective Inhibitors of Acyl-CoA:Diacylglycerol Acyltransferase 1. ACS Med Chem Lett, Volume 9 (2), 2018 ACS Med Chem Lett 2018 29456796
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
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 C.-H., Schoenwald R. D. Ocular pharmacokinetic models of clonidine-3H hydrochloride. J. Pharmacokinet.... Chiang C.-H., Schoenwald R. D. Ocular pharmacokinetic models of clonidine-3H hydrochloride. J. Pharmacokinet. Biopharm., 14, 175–211, 1986. 10.1007/BF01065...
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
Chiba P, Holzer W, Landau M, Bechmann G, Lorenz K, Plagens...
Chiba P, Holzer W, Landau M, Bechmann G, Lorenz K, Plagens B, Hitzler M, Richter E, Ecker G.
Substituted 4-acylpyrazoles and 4-acylpyrazolones: synthesis and multidrug resistance-modulating activity. Chiba P, Holzer W, Landau M, Bechmann G, Lorenz K, Plagens B, Hitzler M, Richter E, Ecker G.: Substituted 4-acylpyrazoles and 4-acylpyrazolones: synthesis and multidrug resistance-modulating activity. J Med Chem, Volume 41 (21), 1998 J Med Chem 1998 9767638
Total substances: 19
Total passive interactions: 0
Total active interactions: 19
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
Cho K, Ando M, Kobayashi K, Miyazoe H, Tsujino T, Ito S,...
Cho K, Ando M, Kobayashi K, Miyazoe H, Tsujino T, Ito S, Suzuki T, Tanaka T, Tokita S, Sato N.
Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists. Cho K, Ando M, Kobayashi K, Miyazoe H, Tsujino T, Ito S, Suzuki T, Tanaka T, Tokita S, Sato N.: Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009 Bioorg Med Chem Lett 2009 19596193
Total substances: 16
Total passive interactions: 0
Total active interactions: 16
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: 3
Chobanian HR, Guo Y, Pio B, Tang H, Teumelsan N, Clements...
Chobanian HR, Guo Y, Pio B, Tang H, Teumelsan N, Clements M, Frie J, Ferguson R, Guo Z, Thomas-Fowlkes BS, Felix JP, Liu J, Kohler M, Priest B, Hampton C, Pai LY, Corona A, Metzger J, Tong V, Joshi EM, Xu L, Owens K, Maloney K, Sullivan K, Pasternak A.
The design and synthesis of novel spirocyclic heterocyclic sulfone ROMK inhibitors as diuretics. Chobanian HR, Guo Y, Pio B, Tang H, Teumelsan N, Clements M, Frie J, Ferguson R, Guo Z, Thomas-Fowlkes BS, Felix JP, Liu J, Kohler M, Priest B, Hampton C, Pai LY, Corona A, Metzger J, Tong V, Joshi EM, Xu L, Owens K, Maloney K, Sullivan K, Pasternak A.: The design and synthesis of novel spirocyclic heterocyclic sulfone ROMK inhibitors as diuretics. Bioorg Med Chem Lett, Volume 27 (4), 2017 Bioorg Med Chem Lett 2017 28111141
Total substances: 16
Total passive interactions: 0
Total active interactions: 16
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: 8
Total passive interactions: 0
Total active interactions: 13
Choi DL, Jang SJ, Cho S, Choi HE, Rim HK, Lee KT, Lee JY.
Choi DL, Jang SJ, Cho S, Choi HE, Rim HK, Lee KT, Lee JY.
Inhibition of cellular proliferation and induction of apoptosis in human lung adenocarcinoma A549 cells by T-type... Choi DL, Jang SJ, Cho S, Choi HE, Rim HK, Lee KT, Lee JY.: Inhibition of cellular proliferation and induction of apoptosis in human lung adenocarcinoma A549 cells by T-type calcium channel antagonist. Bioorg Med Chem Lett, Volume 24 (6), 2014 Bioorg Med Chem Lett 2014 24529871
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
Choi JY, Seo HN, Lee MJ, Park SJ, Park SJ, Jeon JY, Kang...
Choi JY, Seo HN, Lee MJ, Park SJ, Park SJ, Jeon JY, Kang JH, Pae AN, Rhim H, Lee JY.
Synthesis and biological evaluation of novel T-type calcium channel blockers. Choi JY, Seo HN, Lee MJ, Park SJ, Park SJ, Jeon JY, Kang JH, Pae AN, Rhim H, Lee JY.: Synthesis and biological evaluation of novel T-type calcium channel blockers. Bioorg Med Chem Lett, Volume 17 (2), 2007 Bioorg Med Chem Lett 2007 17064894
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
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
Choi SW, Elmaleh DR, Hanson RN, Fischman AJ.
Choi SW, Elmaleh DR, Hanson RN, Fischman AJ.
Design, synthesis, and biological evaluation of novel non-piperazine analogues of 1-[2-(diphenylmethoxy)ethyl]- and... Choi SW, Elmaleh DR, Hanson RN, Fischman AJ.: Design, synthesis, and biological evaluation of novel non-piperazine analogues of 1-[2-(diphenylmethoxy)ethyl]- and 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazines as dopamine transporter inhibitors. J Med Chem, Volume 42 (18), 1999 J Med Chem 1999 10479296
Total substances: 12
Total passive interactions: 0
Total active interactions: 12
Choi SW, Elmaleh DR, Hanson RN, Fischman AJ.
Choi SW, Elmaleh DR, Hanson RN, Fischman AJ.
Novel 3-aminomethyl- and 4-aminopiperidine analogues of 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazines:... Choi SW, Elmaleh DR, Hanson RN, Fischman AJ.: Novel 3-aminomethyl- and 4-aminopiperidine analogues of 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazines: synthesis and evaluation as dopamine transporter ligands. J Med Chem, Volume 43 (2), 2000 J Med Chem 2000 10649976
Total substances: 10
Total passive interactions: 0
Total active interactions: 10
Choi YH, Baek du J, Seo SH, Lee JK, Pae AN, Cho YS, Min SJ.
Choi YH, Baek du J, Seo SH, Lee JK, Pae AN, Cho YS, Min SJ.
Facile synthesis and biological evaluation of 3,3-diphenylpropanoyl piperazines as T-type calcium channel blockers. Choi YH, Baek du J, Seo SH, Lee JK, Pae AN, Cho YS, Min SJ.: Facile synthesis and biological evaluation of 3,3-diphenylpropanoyl piperazines as T-type calcium channel blockers. Bioorg Med Chem Lett, Volume 21 (1), 2011 Bioorg Med Chem Lett 2011 21126876
Total substances: 7
Total passive interactions: 0
Total active interactions: 7
Choi YJ, Seo JH, Shin KJ.
Choi YJ, Seo JH, Shin KJ.
Successful reduction of off-target hERG toxicity by structural modification of a T-type calcium channel blocker. Choi YJ, Seo JH, Shin KJ.: Successful reduction of off-target hERG toxicity by structural modification of a T-type calcium channel blocker. Bioorg Med Chem Lett, Volume 24 (3), 2014 Bioorg Med Chem Lett 2014 24412109
Total substances: 7
Total passive interactions: 0
Total active interactions: 9
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: 2
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: 56
Total passive interactions: 0
Total active interactions: 58
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: 36
Total passive interactions: 0
Total active interactions: 48
Chu XY, Huskey SE, Braun MP, Sarkadi B, Evans DC, Evers R.
Chu XY, Huskey SE, Braun MP, Sarkadi B, Evans DC, Evers R.
Transport of ethinylestradiol glucuronide and ethinylestradiol sulfate by the multidrug resistance proteins MRP1, MRP2,... Chu XY, Huskey SE, Braun MP, Sarkadi B, Evans DC, Evers R.: Transport of ethinylestradiol glucuronide and ethinylestradiol sulfate by the multidrug resistance proteins MRP1, MRP2, and MRP3. J Pharmacol Exp Ther, Volume 309 (1), 2004 J Pharmacol Exp Ther 2004 14722317
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Chua K, Fung E, Micewicz ED, Ganz T, Nemeth E, Ruchala P.
Chua K, Fung E, Micewicz ED, Ganz T, Nemeth E, Ruchala P.
Small cyclic agonists of iron regulatory hormone hepcidin. Chua K, Fung E, Micewicz ED, Ganz T, Nemeth E, Ruchala P.: Small cyclic agonists of iron regulatory hormone hepcidin. Bioorg Med Chem Lett, Volume 25 (21), 2015 Bioorg Med Chem Lett 2015 25813158
Total substances: 29
Total passive interactions: 0
Total active interactions: 29
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: 15
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: 3
Total passive interactions: 0
Total active interactions: 8
Cioffi CL, Wolf MA, Guzzo PR, Sadalapure K, Parthasarathy...
Cioffi CL, Wolf MA, Guzzo PR, Sadalapure K, Parthasarathy V, Dethe D, Maeng JH, Carulli E, Loong DT, Fang X, Hu M, Gupta P, Chung M, Bai M, Moore N, Luche M, Khmelnitsky Y, Love PL, Watson MA, Mhyre AJ, Liu S.
Design, synthesis, and SAR of N-((1-(4-(propylsulfonyl)piperazin-1-yl)cycloalkyl)methyl)benzamide inhibitors of glycine... Cioffi CL, Wolf MA, Guzzo PR, Sadalapure K, Parthasarathy V, Dethe D, Maeng JH, Carulli E, Loong DT, Fang X, Hu M, Gupta P, Chung M, Bai M, Moore N, Luche M, Khmelnitsky Y, Love PL, Watson MA, Mhyre AJ, Liu S.: Design, synthesis, and SAR of N-((1-(4-(propylsulfonyl)piperazin-1-yl)cycloalkyl)methyl)benzamide inhibitors of glycine transporter-1. Bioorg Med Chem Lett, Volume 23 (5), 2013 Bioorg Med Chem Lett 2013 23380375
Total substances: 27
Total passive interactions: 0
Total active interactions: 43
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
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: 6
Total passive interactions: 0
Total active interactions: 10
Clutterbuck LA, Posada CG, Visintin C, Riddall DR,...
Clutterbuck LA, Posada CG, Visintin C, Riddall DR, Lancaster B, Gane PJ, Garthwaite J, Selwood DL.
Oxadiazolylindazole sodium channel modulators are neuroprotective toward hippocampal neurones. Clutterbuck LA, Posada CG, Visintin C, Riddall DR, Lancaster B, Gane PJ, Garthwaite J, Selwood DL.: Oxadiazolylindazole sodium channel modulators are neuroprotective toward hippocampal neurones. J Med Chem, Volume 52 (9), 2009 J Med Chem 2009 19341281
Total substances: 2
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
Coffman KC, Nguyen HH, Phuan PW, Hudson BM, Yu GJ,...
Coffman KC, Nguyen HH, Phuan PW, Hudson BM, Yu GJ, Bagdasarian AL, Montgomery D, Lodewyk MW, Yang B, Yoo CL, Verkman AS, Tantillo DJ, Kurth MJ.
Constrained bithiazoles: small molecule correctors of defective ΔF508-CFTR protein trafficking. Coffman KC, Nguyen HH, Phuan PW, Hudson BM, Yu GJ, Bagdasarian AL, Montgomery D, Lodewyk MW, Yang B, Yoo CL, Verkman AS, Tantillo DJ, Kurth MJ.: Constrained bithiazoles: small molecule correctors of defective ΔF508-CFTR protein trafficking. J Med Chem, Volume 57 (15), 2014 J Med Chem 2014 25061695
Total substances: 23
Total passive interactions: 0
Total active interactions: 23
Coghlan MJ, Carroll WA, Gopalakrishnan M.
Coghlan MJ, Carroll WA, Gopalakrishnan M.
Recent developments in the biology and medicinal chemistry of potassium channel modulators: update from a decade of... Coghlan MJ, Carroll WA, Gopalakrishnan M.: Recent developments in the biology and medicinal chemistry of potassium channel modulators: update from a decade of progress. J Med Chem, Volume 44 (11), 2001 J Med Chem 2001 11356099
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
Coi A, Fiamingo FL, Livi O, Calderone V, Martelli A,...
Coi A, Fiamingo FL, Livi O, Calderone V, Martelli A, Massarelli I, Bianucci AM.
QSAR studies on BK channel activators. Coi A, Fiamingo FL, Livi O, Calderone V, Martelli A, Massarelli I, Bianucci AM.: QSAR studies on BK channel activators. Bioorg Med Chem, Volume 17 (1), 2009 Bioorg Med Chem 2009 19026552
Total substances: 69
Total passive interactions: 0
Total active interactions: 69
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, 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: 11
Total passive interactions: 0
Total active interactions: 11
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: 2
Colabufo NA, Berardi F, Perrone R, Rapposelli S, Digiacomo...
Colabufo NA, Berardi F, Perrone R, Rapposelli S, Digiacomo M, Vanni M, Balsamo A.
2-[(3-Methoxyphenylethyl)phenoxy]-based ABCB1 inhibitors: effect of different basic side-chains on their biological... Colabufo NA, Berardi F, Perrone R, Rapposelli S, Digiacomo M, Vanni M, Balsamo A.: 2-[(3-Methoxyphenylethyl)phenoxy]-based ABCB1 inhibitors: effect of different basic side-chains on their biological properties. J Med Chem, Volume 51 (23), 2008 J Med Chem 2008 19053888
Total substances: 25
Total passive interactions: 0
Total active interactions: 29
Colabufo NA, Berardi F, Perrone R, Rapposelli S, Digiacomo...
Colabufo NA, Berardi F, Perrone R, Rapposelli S, Digiacomo M, Vanni M, Balsamo A.
Synthesis and biological evaluation of (hetero)arylmethyloxy- and arylmethylamine-phenyl derivatives as potent... Colabufo NA, Berardi F, Perrone R, Rapposelli S, Digiacomo M, Vanni M, Balsamo A.: Synthesis and biological evaluation of (hetero)arylmethyloxy- and arylmethylamine-phenyl derivatives as potent P-glycoprotein modulating agents. J Med Chem, Volume 51 (5), 2008 J Med Chem 2008 18257545
Total substances: 18
Total passive interactions: 0
Total active interactions: 25
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: 12
Total passive interactions: 0
Total active interactions: 23
Collot M., Ashokkumar P., Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.:... Collot M., Ashokkumar P., Anton H, Boutant E., Faklaris O., Galli T., Mély Y., Danglot L., Klymchenko A.S.: MemBright: A Family of Fluorescent Membrane Probes for Advanced Cellular Imaging and Neuroscience. Cell Chem. Bio., 26, 600–614, 2019. 10.1016/j.chemb...
Total substances: 6
Total passive interactions: 6
Total active interactions: 0
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 C. W., Buck, R. H.: Influence of Ion Pairing Salts on the Transcorneal Permeability of Ionized Sulfonamides. J.... 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. https://doi.org...
Total substances: 3
Total passive interactions: 3
Total active interactions: 0
Contino M, Zinzi L, Cantore M, Perrone MG, Leopoldo M,...
Contino M, Zinzi L, Cantore M, Perrone MG, Leopoldo M, Berardi F, Perrone R, Colabufo NA.
Activity-lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments. Contino M, Zinzi L, Cantore M, Perrone MG, Leopoldo M, Berardi F, Perrone R, Colabufo NA.: Activity-lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments. Bioorg Med Chem Lett, Volume 23 (13), 2013 Bioorg Med Chem Lett 2013 23726026
Total substances: 6
Total passive interactions: 0
Total active interactions: 12
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: 10
Total passive interactions: 0
Total active interactions: 24
Cooper K, Fray MJ, Parry MJ, Richardson K, Steele J.
Cooper K, Fray MJ, Parry MJ, Richardson K, Steele J.
1,4-Dihydropyridines as antagonists of platelet activating factor. 1. Synthesis and structure-activity relationships of... Cooper K, Fray MJ, Parry MJ, Richardson K, Steele J.: 1,4-Dihydropyridines as antagonists of platelet activating factor. 1. Synthesis and structure-activity relationships of 2-(4-heterocyclyl)phenyl derivatives. J Med Chem, Volume 35 (17), 1992 J Med Chem 1992 1507200
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Corbett DF, Heightman TD, Moss SF, Bromidge SM, Coggon SA,...
Corbett DF, Heightman TD, Moss SF, Bromidge SM, Coggon SA, Longley MJ, Roa AM, Williams JA, Thomas DR.
Discovery of a potent and selective 5-ht5A receptor antagonist by high-throughput chemistry. Corbett DF, Heightman TD, Moss SF, Bromidge SM, Coggon SA, Longley MJ, Roa AM, Williams JA, Thomas DR.: Discovery of a potent and selective 5-ht5A receptor antagonist by high-throughput chemistry. Bioorg Med Chem Lett, Volume 15 (18), 2005 Bioorg Med Chem Lett 2005 16002289
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Covitz KM, Amidon GL, Sadée W.
Covitz KM, Amidon GL, Sadée W.
Human dipeptide transporter, hPEPT1, stably transfected into Chinese hamster ovary cells. Covitz KM, Amidon GL, Sadée W.: Human dipeptide transporter, hPEPT1, stably transfected into Chinese hamster ovary cells. Pharm Res, Volume 13 (11), 1996 Pharm Res 1996 8956326
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Cozzi NV, Daley PF.
Cozzi NV, Daley PF.
Receptor binding profiles and quantitative structure-affinity relationships of some... Cozzi NV, Daley PF.: Receptor binding profiles and quantitative structure-affinity relationships of some 5-substituted-N,N-diallyltryptamines. Bioorg Med Chem Lett, Volume 26 (3), 2016 Bioorg Med Chem Lett 2016 26739781
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
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: 24
Crestey F, Jensen AA, Borch M, Andreasen JT, Andersen J,...
Crestey F, Jensen AA, Borch M, Andreasen JT, Andersen J, Balle T, Kristensen JL.
Design, synthesis, and biological evaluation of Erythrina alkaloid analogues as neuronal nicotinic acetylcholine... Crestey F, Jensen AA, Borch M, Andreasen JT, Andersen J, Balle T, Kristensen JL.: Design, synthesis, and biological evaluation of Erythrina alkaloid analogues as neuronal nicotinic acetylcholine receptor antagonists. J Med Chem, Volume 56 (23), 2013 J Med Chem 2013 24187998
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
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: 2
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: 38
Total passive interactions: 0
Total active interactions: 43
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: 17
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
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: 1
Total passive interactions: 0
Total active interactions: 1
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
Dalton King H, Denhart DJ, Deskus JA, Ditta JL, Epperson...
Dalton King H, Denhart DJ, Deskus JA, Ditta JL, Epperson JR, Higgins MA, Kung JE, Marcin LR, Sloan CP, Mattson GK, Molski TF, Krause RG, Bertekap RL, Lodge NJ, Mattson RJ, Macor JE.
Conformationally restricted homotryptamines. Part 4: Heterocyclic and naphthyl analogs of a potent selective serotonin... Dalton King H, Denhart DJ, Deskus JA, Ditta JL, Epperson JR, Higgins MA, Kung JE, Marcin LR, Sloan CP, Mattson GK, Molski TF, Krause RG, Bertekap RL, Lodge NJ, Mattson RJ, Macor JE.: Conformationally restricted homotryptamines. Part 4: Heterocyclic and naphthyl analogs of a potent selective serotonin reuptake inhibitor. Bioorg Med Chem Lett, Volume 17 (20), 2007 Bioorg Med Chem Lett 2007 17766113
Total substances: 25
Total passive interactions: 0
Total active interactions: 38
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 O. A., Kreder R., Richert L., Vauchelles R., Mély Y., Klymchenko A. S.: Rational design of... Darwich Z., Kucherak O. A., Kreder R., Richert L., Vauchelles R., Mély Y., Klymchenko A. S.: Rational design of fluorescent membrane probes for apoptosis based on 3-hydroxyflavone. Methods Appl. Fluoresc., 1, 025002, 2013. 10.1088/2050-61...
Total substances: 1
Total passive interactions: 1
Total active interactions: 0
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
Davies TG, Wixted WE, Coyle JE, Griffiths-Jones C, Hearn K,...
Davies TG, Wixted WE, Coyle JE, Griffiths-Jones C, Hearn K, McMenamin R, Norton D, Rich SJ, Richardson C, Saxty G, Willems HM, Woolford AJ, Cottom JE, Kou JP, Yonchuk JG, Feldser HG, Sanchez Y, Foley JP, Bolognese BJ, Logan G, Podolin PL, Yan H, Callahan JF, Heightman TD, Kerns JK.
Monoacidic Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2-Related Factor 2... Davies TG, Wixted WE, Coyle JE, Griffiths-Jones C, Hearn K, McMenamin R, Norton D, Rich SJ, Richardson C, Saxty G, Willems HM, Woolford AJ, Cottom JE, Kou JP, Yonchuk JG, Feldser HG, Sanchez Y, Foley JP, Bolognese BJ, Logan G, Podolin PL, Yan H, Callahan JF, Heightman TD, Kerns JK.: Monoacidic Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J Med Chem, Volume 59 (8), 2016 J Med Chem 2016 27031670
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
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: 4
Total passive interactions: 0
Total active interactions: 10
Davison HR, Solano DM, Phuan PW, Verkman AS, Kurth MJ.
Davison HR, Solano DM, Phuan PW, Verkman AS, Kurth MJ.
Fluorinated ΔF508-CFTR correctors and potentiators for PET imaging. Davison HR, Solano DM, Phuan PW, Verkman AS, Kurth MJ.: Fluorinated ΔF508-CFTR correctors and potentiators for PET imaging. Bioorg Med Chem Lett, Volume 22 (4), 2012 Bioorg Med Chem Lett 2012 22281185
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
Davoren JE, Nason D, Coe J, Dlugolenski K, Helal C, Harris...
Davoren JE, Nason D, Coe J, Dlugolenski K, Helal C, Harris AR, LaChapelle E, Liang S, Liu Y, O'Connor R, Orozco CC, Rai BK, Salafia M, Samas B, Xu W, Kozak R, Gray D.
Discovery and Lead Optimization of Atropisomer D1 Agonists with Reduced Desensitization. Davoren JE, Nason D, Coe J, Dlugolenski K, Helal C, Harris AR, LaChapelle E, Liang S, Liu Y, O'Connor R, Orozco CC, Rai BK, Salafia M, Samas B, Xu W, Kozak R, Gray D.: Discovery and Lead Optimization of Atropisomer D1 Agonists with Reduced Desensitization. J Med Chem, Volume 61 (24), 2018 J Med Chem 2018 30431269
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Dawson S, Stahl S, Paul N, Barber J, Kenna JG.
Dawson S, Stahl S, Paul N, Barber J, Kenna JG.
In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in... Dawson S, Stahl S, Paul N, Barber J, Kenna JG.: In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans. Drug Metab Dispos, Volume 40 (1), 2012 Drug Metab Dispos 2012 21965623
Total substances: 52
Total passive interactions: 0
Total active interactions: 52
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: 74
Total passive interactions: 0
Total active interactions: 142
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 Lera Ruiz M, Kraus RL.
de Lera Ruiz M, Kraus RL.
Voltage-Gated Sodium Channels: Structure, Function, Pharmacology, and Clinical Indications. de Lera Ruiz M, Kraus RL.: Voltage-Gated Sodium Channels: Structure, Function, Pharmacology, and Clinical Indications. J Med Chem, Volume 58 (18), 2015 J Med Chem 2015 25927480
Total substances: 16
Total passive interactions: 0
Total active interactions: 26
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: 10
Total passive interactions: 0
Total active interactions: 11
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: 8
Total passive interactions: 0
Total active interactions: 17
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: 10
Debenham SD, Chan A, Lau FW, Liu W, Wood HB, Lemme K,...
Debenham SD, Chan A, Lau FW, Liu W, Wood HB, Lemme K, Colwell L, Habulihaz B, Akiyama TE, Einstein M, Doebber TW, Sharma N, Wang CF, Wu M, Berger JP, Meinke PT.
Highly functionalized 7-azaindoles as selective PPAR gamma modulators. Debenham SD, Chan A, Lau FW, Liu W, Wood HB, Lemme K, Colwell L, Habulihaz B, Akiyama TE, Einstein M, Doebber TW, Sharma N, Wang CF, Wu M, Berger JP, Meinke PT.: Highly functionalized 7-azaindoles as selective PPAR gamma modulators. Bioorg Med Chem Lett, Volume 18 (17), 2008 Bioorg Med Chem Lett 2008 18701276
Total substances: 1
Total passive interactions: 0
Total active interactions: 3
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: 4
Total passive interactions: 0
Total active interactions: 14
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: 3
Total passive interactions: 0
Total active interactions: 4
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: 4
Delpire E, Baranczak A, Waterson AG, Kim K, Kett N,...
Delpire E, Baranczak A, Waterson AG, Kim K, Kett N, Morrison RD, Daniels JS, Weaver CD, Lindsley CW.
Further optimization of the K-Cl cotransporter KCC2 antagonist ML077: development of a highly selective and more potent... Delpire E, Baranczak A, Waterson AG, Kim K, Kett N, Morrison RD, Daniels JS, Weaver CD, Lindsley CW.: Further optimization of the K-Cl cotransporter KCC2 antagonist ML077: development of a highly selective and more potent in vitro probe. Bioorg Med Chem Lett, Volume 22 (14), 2012 Bioorg Med Chem Lett 2012 22727639
Total substances: 10
Total passive interactions: 0
Total active interactions: 10
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.: Monitoring Biophysical Properties of Lipid Membranes by... 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. doi:...
Total substances: 7
Total passive interactions: 7
Total active interactions: 0
Denhart DJ, Deskus JA, Ditta JL, Gao Q, Dalton King H,...
Denhart DJ, Deskus JA, Ditta JL, Gao Q, Dalton King H, Kozlowski ES, Meng Z, LaPaglia MA, Mattson GK, Molski TF, Taber MT, Lodge NJ, Mattson RJ, Macor JE.
Conformationally restricted homotryptamines. Part 5: 3-(trans-2-aminomethylcyclopentyl)indoles as potent selective... Denhart DJ, Deskus JA, Ditta JL, Gao Q, Dalton King H, Kozlowski ES, Meng Z, LaPaglia MA, Mattson GK, Molski TF, Taber MT, Lodge NJ, Mattson RJ, Macor JE.: Conformationally restricted homotryptamines. Part 5: 3-(trans-2-aminomethylcyclopentyl)indoles as potent selective serotonin reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (15), 2009 Bioorg Med Chem Lett 2009 19560923
Total substances: 8
Total passive interactions: 0
Total active interactions: 8
Deskus JA, Epperson JR, Sloan CP, Cipollina JA, Dextraze P,...
Deskus JA, Epperson JR, Sloan CP, Cipollina JA, Dextraze P, Qian-Cutrone J, Gao Q, Ma B, Beno BR, Mattson GK, Molski TF, Krause RG, Taber MT, Lodge NJ, Mattson RJ.
Conformationally restricted homotryptamines 3. Indole tetrahydropyridines and cyclohexenylamines as selective serotonin... Deskus JA, Epperson JR, Sloan CP, Cipollina JA, Dextraze P, Qian-Cutrone J, Gao Q, Ma B, Beno BR, Mattson GK, Molski TF, Krause RG, Taber MT, Lodge NJ, Mattson RJ.: Conformationally restricted homotryptamines 3. Indole tetrahydropyridines and cyclohexenylamines as selective serotonin reuptake inhibitors. Bioorg Med Chem Lett, Volume 17 (11), 2007 Bioorg Med Chem Lett 2007 17391962
Total substances: 15
Total passive interactions: 0
Total active interactions: 17
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: 3
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: 26
Total passive interactions: 0
Total active interactions: 69
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
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
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: 4
Total passive interactions: 0
Total active interactions: 5
Ditta JL, Denhart DJ, Deskus JA, Epperson JR, Meng Z, Gao...
Ditta JL, Denhart DJ, Deskus JA, Epperson JR, Meng Z, Gao Q, Mattson GK, Lapaglia MA, Taber MT, Molski TF, Lodge NJ, Mattson RJ, Macor JE.
Conformationally restricted homotryptamines. Part 6: indole-5-cycloalkyl methylamines as selective serotonin reuptake... Ditta JL, Denhart DJ, Deskus JA, Epperson JR, Meng Z, Gao Q, Mattson GK, Lapaglia MA, Taber MT, Molski TF, Lodge NJ, Mattson RJ, Macor JE.: Conformationally restricted homotryptamines. Part 6: indole-5-cycloalkyl methylamines as selective serotonin reuptake inhibitors. Bioorg Med Chem Lett, Volume 23 (10), 2013 Bioorg Med Chem Lett 2013 23578689
Total substances: 13
Total passive interactions: 0
Total active interactions: 18
Doddareddy MR, Choo H, Cho YS, Rhim H, Koh HY, Lee JH,...
Doddareddy MR, Choo H, Cho YS, Rhim H, Koh HY, Lee JH, Jeong SW, Pae AN.
3D pharmacophore based virtual screening of T-type calcium channel blockers. Doddareddy MR, Choo H, Cho YS, Rhim H, Koh HY, Lee JH, Jeong SW, Pae AN.: 3D pharmacophore based virtual screening of T-type calcium channel blockers. Bioorg Med Chem, Volume 15 (2), 2007 Bioorg Med Chem 2007 17074493
Total substances: 14
Total passive interactions: 0
Total active interactions: 14
DOI: 10.1002/minf.201000118 DOI: 10.1002/minf.201000118
Total substances: 9
Total passive interactions: 9
Total active interactions: 0
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: 2
Dong S, VanGelder K, Shi ZC, Yu Y, Wu Z, Ferguson R, Guo...
Dong S, VanGelder K, Shi ZC, Yu Y, Wu Z, Ferguson R, Guo ZZ, Tang H, Frie J, Fu Q, Gu X, Priest BT, Thomas-Fowlkes B, Weinglass A, Margulis M, Liu J, Pai LY, Hampton C, Haimbach RE, Owens K, Tong V, Xu S, Hu M, Zingaro GJ, Morissette P, Ehrhart J, Roy S, Sullivan K, Pasternak A.
Improvement of hERG-ROMK index of spirocyclic ROMK inhibitors through scaffold optimization and incorporation of novel... Dong S, VanGelder K, Shi ZC, Yu Y, Wu Z, Ferguson R, Guo ZZ, Tang H, Frie J, Fu Q, Gu X, Priest BT, Thomas-Fowlkes B, Weinglass A, Margulis M, Liu J, Pai LY, Hampton C, Haimbach RE, Owens K, Tong V, Xu S, Hu M, Zingaro GJ, Morissette P, Ehrhart J, Roy S, Sullivan K, Pasternak A.: Improvement of hERG-ROMK index of spirocyclic ROMK inhibitors through scaffold optimization and incorporation of novel pharmacophores. Bioorg Med Chem Lett, Volume 27 (11), 2017 Bioorg Med Chem Lett 2017 28431879
Total substances: 46
Total passive interactions: 0
Total active interactions: 49
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
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
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
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
Dounay AB, Barta NS, Campbell BM, Coleman C, Collantes EM,...
Dounay AB, Barta NS, Campbell BM, Coleman C, Collantes EM, Denny L, Dutta S, Gray DL, Hou D, Iyer R, Maiti SN, Ortwine DF, Probert A, Stratman NC, Subedi R, Whisman T, Xu W, Zoski K.
Design, synthesis, and pharmacological evaluation of phenoxy pyridyl derivatives as dual norepinephrine reuptake... Dounay AB, Barta NS, Campbell BM, Coleman C, Collantes EM, Denny L, Dutta S, Gray DL, Hou D, Iyer R, Maiti SN, Ortwine DF, Probert A, Stratman NC, Subedi R, Whisman T, Xu W, Zoski K.: Design, synthesis, and pharmacological evaluation of phenoxy pyridyl derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists. Bioorg Med Chem Lett, Volume 20 (3), 2010 Bioorg Med Chem Lett 2010 20031410
Total substances: 2
Total passive interactions: 0
Total active interactions: 5
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: 16
Total passive interactions: 0
Total active interactions: 16
Dražić T, Sachdev V, Leopold C, Patankar JV, Malnar M,...
Dražić T, Sachdev V, Leopold C, Patankar JV, Malnar M, Hećimović S, Levak-Frank S, Habuš I, Kratky D.
Synthesis and evaluation of novel amide amino-β-lactam derivatives as cholesterol absorption inhibitors. Dražić T, Sachdev V, Leopold C, Patankar JV, Malnar M, Hećimović S, Levak-Frank S, Habuš I, Kratky D.: Synthesis and evaluation of novel amide amino-β-lactam derivatives as cholesterol absorption inhibitors. Bioorg Med Chem, Volume 23 (10), 2015 Bioorg Med Chem 2015 25882530
Total substances: 6
Total passive interactions: 0
Total active interactions: 6
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: 16
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: 6
Total passive interactions: 0
Total active interactions: 13
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: 6
Total passive interactions: 0
Total active interactions: 22
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
Total substances: 11
Total passive interactions: 0
Total active interactions: 16
Du X, Lizarzaburu M, Turcotte S, Lee T, Greenberg J, Shan...
Du X, Lizarzaburu M, Turcotte S, Lee T, Greenberg J, Shan B, Fan P, Ling Y, Medina JC, Houze J.
Optimization of triazoles as novel and potent nonphlorizin SGLT2 inhibitors. Du X, Lizarzaburu M, Turcotte S, Lee T, Greenberg J, Shan B, Fan P, Ling Y, Medina JC, Houze J.: Optimization of triazoles as novel and potent nonphlorizin SGLT2 inhibitors. Bioorg Med Chem Lett, Volume 21 (12), 2011 Bioorg Med Chem Lett 2011 21565497
Total substances: 12
Total passive interactions: 0
Total active interactions: 14
Dudash J, Zhang X, Zeck RE, Johnson SG, Cox GG, Conway BR,...
Dudash J, Zhang X, Zeck RE, Johnson SG, Cox GG, Conway BR, Rybczynski PJ, Demarest KT.
Glycosylated dihydrochalcones as potent and selective sodium glucose co-transporter 2 (SGLT2) inhibitors. Dudash J, Zhang X, Zeck RE, Johnson SG, Cox GG, Conway BR, Rybczynski PJ, Demarest KT.: Glycosylated dihydrochalcones as potent and selective sodium glucose co-transporter 2 (SGLT2) inhibitors. Bioorg Med Chem Lett, Volume 14 (20), 2004 Bioorg Med Chem Lett 2004 15380212
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Dudley AJ, Bleasby K, Brown CD.
Dudley AJ, Bleasby K, Brown CD.
The organic cation transporter OCT2 mediates the uptake of beta-adrenoceptor antagonists across the apical membrane of... Dudley AJ, Bleasby K, Brown CD.: The organic cation transporter OCT2 mediates the uptake of beta-adrenoceptor antagonists across the apical membrane of renal LLC-PK(1) cell monolayers. Br J Pharmacol, Volume 131 (1), 2000 Br J Pharmacol 2000 10960071
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
Duffel, M. W. et al. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular... Duffel, M. W. et al. N-Substituted sulfonamide carbonic anhydrase inhibitors with topical effects on intraocular pressure. J. Med. Chem., 29, 1488–1494, 1986. https://doi.org...
Total substances: 4
Total passive interactions: 4
Total active interactions: 0
Dutta AK, Xu C, Reith ME.
Dutta AK, Xu C, Reith ME.
Tolerance in the replacement of the benzhydrylic O atom in 4-[2-(diphenylmethoxy)ethyl]-1-benzylpiperidine derivatives... Dutta AK, Xu C, Reith ME.: Tolerance in the replacement of the benzhydrylic O atom in 4-[2-(diphenylmethoxy)ethyl]-1-benzylpiperidine derivatives by an N atom: development of new-generation potent and selective N-analogue molecules for the dopamine transporter. J Med Chem, Volume 41 (17), 1998 J Med Chem 1998 9703474
Total substances: 5
Total passive interactions: 0
Total active interactions: 6
Dutta S, Lopez Charcas O, Tanner S, Gradek F, Driffort V,...
Dutta S, Lopez Charcas O, Tanner S, Gradek F, Driffort V, Roger S, Selander K, Velu SE, Brouillette W.
Discovery and evaluation of nNav1.5 sodium channel blockers with potent cell invasion inhibitory activity in breast... Dutta S, Lopez Charcas O, Tanner S, Gradek F, Driffort V, Roger S, Selander K, Velu SE, Brouillette W.: Discovery and evaluation of nNav1.5 sodium channel blockers with potent cell invasion inhibitory activity in breast cancer cells. Bioorg Med Chem, Volume 26 (9), 2018 Bioorg Med Chem 2018 29673714
Total substances: 2
Total passive interactions: 0
Total active interactions: 2
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
Total substances: 9
Total passive interactions: 0
Total active interactions: 18
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
Ebert SP, Wetzel B, Myette RL, Conseil G, Cole SP, Sawada...
Ebert SP, Wetzel B, Myette RL, Conseil G, Cole SP, Sawada GA, Loo TW, Bartlett MC, Clarke DM, Detty MR.
Chalcogenopyrylium compounds as modulators of the ATP-binding cassette transporters P-glycoprotein (P-gp/ABCB1) and... Ebert SP, Wetzel B, Myette RL, Conseil G, Cole SP, Sawada GA, Loo TW, Bartlett MC, Clarke DM, Detty MR.: Chalcogenopyrylium compounds as modulators of the ATP-binding cassette transporters P-glycoprotein (P-gp/ABCB1) and multidrug resistance protein 1 (MRP1/ABCC1). J Med Chem, Volume 55 (10), 2012 J Med Chem 2012 22533905
Total substances: 10
Total passive interactions: 0
Total active interactions: 10
Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors.... Edelhauser H. F., Maren T. H.: Permeability of Human Cornea and Sclera to Sulfonamide Carbonic Anhydrase Inhibitors. Arch. Ophthalmol. 106, 1110–1115, 1988. 10.1001/archoph...
Total substances: 4
Total passive interactions: 8
Total active interactions: 0
Edmondson SD, Mastracchio A, Mathvink RJ, He J, Harper B,...
Edmondson SD, Mastracchio A, Mathvink RJ, He J, Harper B, Park YJ, Beconi M, Di Salvo J, Eiermann GJ, He H, Leiting B, Leone JF, Levorse DA, Lyons K, Patel RA, Patel SB, Petrov A, Scapin G, Shang J, Roy RS, Smith A, Wu JK, Xu S, Zhu B, Thornberry NA, Weber AE.
(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]-pyridin-6-ylphenyl)butana... Edmondson SD, Mastracchio A, Mathvink RJ, He J, Harper B, Park YJ, Beconi M, Di Salvo J, Eiermann GJ, He H, Leiting B, Leone JF, Levorse DA, Lyons K, Patel RA, Patel SB, Petrov A, Scapin G, Shang J, Roy RS, Smith A, Wu JK, Xu S, Zhu B, Thornberry NA, Weber AE.: (2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]-pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. J Med Chem, Volume 49 (12), 2006 J Med Chem 2006 16759103
Total substances: 3
Total passive interactions: 0
Total active interactions: 3
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: 10
Total passive interactions: 0
Total active interactions: 32
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
Ehara T, Irie O, Kosaka T, Kanazawa T, Breitenstein W,...
Ehara T, Irie O, Kosaka T, Kanazawa T, Breitenstein W, Grosche P, Ostermann N, Suzuki M, Kawakami S, Konishi K, Hitomi Y, Toyao A, Gunji H, Cumin F, Schiering N, Wagner T, Rigel DF, Webb RL, Maibaum J, Yokokawa F.
Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. Ehara T, Irie O, Kosaka T, Kanazawa T, Breitenstein W, Grosche P, Ostermann N, Suzuki M, Kawakami S, Konishi K, Hitomi Y, Toyao A, Gunji H, Cumin F, Schiering N, Wagner T, Rigel DF, Webb RL, Maibaum J, Yokokawa F.: Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. ACS Med Chem Lett, Volume 5 (7), 2014 ACS Med Chem Lett 2014 25050166
Total substances: 1
Total passive interactions: 0
Total active interactions: 2
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
Ekins S, Kim RB, Leake BF, Dantzig AH, Schuetz EG, Lan LB,...
Ekins S, Kim RB, Leake BF, Dantzig AH, Schuetz EG, Lan LB, Yasuda K, Shepard RL, Winter MA, Schuetz JD, Wikel JH, Wrighton SA.
Three-dimensional quantitative structure-activity relationships of inhibitors of P-glycoprotein. Ekins S, Kim RB, Leake BF, Dantzig AH, Schuetz EG, Lan LB, Yasuda K, Shepard RL, Winter MA, Schuetz JD, Wikel JH, Wrighton SA.: Three-dimensional quantitative structure-activity relationships of inhibitors of P-glycoprotein. Mol Pharmacol, Volume 61 (5), 2002 Mol Pharmacol 2002 11961113
Total substances: 1
Total passive interactions: 0
Total active interactions: 1
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
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: 2
Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III:... Eller M. G., Schoenwald R. D., Dixson J. A., Segarra T., Barfknecht C. F.: Topical Carbonic Anhydrase Inhibitors III: Optimization Model for Corneal Penetration of Ethoxzolamide Analogues. J. Pharm. Sci., 74, 155–160, 1985. https://doi.org...
Total substances: 9
Total passive interactions: 9
Total active interactions: 0
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: 15
Total passive interactions: 0
Total active interactions: 16
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