substance;substance_identifier;membrane;method;charge;temperature;note;x_min;x_min_acc;g_pen;g_pen_acc;g_wat;g_wat_acc;log_k;log_k_acc;log_perm;log_perm_acc;primary_publication;secondary_publication
Caffeine;MM00040;DMPC;CCM15;0;25;;1.242;;2.652;;2.422;;0.624;;;;;"in-house calculations"
Caffeine;MM00040;DOPC;CCM15;0;25;;1.283;;2.303;;2.56;;0.452;;;;;"in-house calculations"
Caffeine;MM00040;"SC mix";CCM15;0;25;;2.234;;2.7;;1.436;;0.329;;;;;"in-house calculations"
Caffeine;MM00040;DOPC;CCM18;0;25;;1.43;;3.622;;1.804;;-0.417;;;;;"in-house calculations"
Caffeine;MM00040;CERNS;CCM18;0;25;;3.518;;3.6;;0.171;;-1.001;;;;;"in-house calculations"
Caffeine;MM00040;DMPC;CCM18;0;25;;1.37;;3.837;;1.777;;-0.379;;;;;"in-house calculations"
Caffeine;MM00040;"SC mix";CCM18;0;25;;2.487;;3.885;;0.508;;-0.302;;;;;"in-house calculations"
Caffeine;MM00040;CACO;ECACO;0;37;;;;;;;;;;-4.51;;;"Yazdanian M, Glynn SL, Wright JL, Hawi A.: Correlating partitioning and caco-2 cell permeability of structurally diverse small molecular weight compounds. Pharm Res, Volume 15 (9), 1490-1494, 1998"
Caffeine;MM00040;BBB;EPAM;0;25;;;;;;;;;;-5.89;;;"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"
Caffeine;MM00040;LEC;EPAM;0;25;;;;;;;;;;-5.41;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007"
Caffeine;MM00040;PSKIN;EPAM;0;25;;;;;;;;;;-5.63;;;"Ottaviani G, Martel S, Carrupt PA.: In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. J Med Chem, Volume 50 (4), 742-748, 2007"
Caffeine;MM00040;PL-A;EPAM;0;25;;;;;;;;;;-5.74;;;"Kerns EH, Di L, Petusky S, Farris M, Ley R, Jupp P.: Combined application of parallel artificial membrane permeability assay and Caco-2 permeability assays in drug discovery. J Pharm Sci, Volume 93 (6), 1440-1453, 2004"
Caffeine;MM00040;SL;EFDC;;25;;;;;;;;;;-4.97;0.15;;"Berka P, Stránská D, Semecký V, Berka K, Doležal P.: In vitro testing of flash-frozen sublingual membranes for storage and reproducible permeability studies of macromolecular drugs from solution or nanofiber mats. Int J Pharm, Volume 572, 118711, 2019"
Caffeine;MM00040;Caco2/MDCK;CPapp;0;37;;;;;;;;;;-4.23582;;;"Bittermann K, Goss KU.: Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model. PLoS One, Volume 12 (12), e0190319, 2017"
Caffeine;MM00040;CACO;CVOLSURF;0;25;;;;;;;;;;-5.73;;;"Fujikawa M, Ano R, Nakao K, Shimizu R, Akamatsu M.: Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: application to prediction of Caco-2 cell permeability. Bioorg Med Chem, Volume 13 (15), 4721-4732, 2005"
Caffeine;MM00040;CACO;ECACO;0;37;;;;;;;;;;-4.39;;;"Marino AM, Yarde M, Patel H, Chong S, Balimane PV.: Validation of the 96 well Caco-2 cell culture model for high throughput permeability assessment of discovery compounds. Int J Pharm, Volume 297 (1-2), 235-241, 2005"
Caffeine;MM00040;PL-A;EPAM;;25;;;;;;;;;;-5.41;;;"Fujikawa M, Ano R, Nakao K, Shimizu R, Akamatsu M.: Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: application to prediction of Caco-2 cell permeability. Bioorg Med Chem, Volume 13 (15), 4721-4732, 2005"
Caffeine;MM00040;MDCK;EMDCK;;37;;;;;;;;;;-4.69;;;"Wang Q, Rager JD, Weinstein K, Kardos PS, Dobson GL, Li J, Hidalgo IJ.: Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier. Int J Pharm, Volume 288 (2), 349-359, 2005"
Caffeine;MM00040;CALU3;ECALU3;;37;;;;;;;;;;-4.66;;;"Mathia NR, Timoszyk J, Stetsko PI, Megill JR, Smith RL, Wall DA.: Permeability characteristics of calu-3 human bronchial epithelial cells: in vitro-in vivo correlation to predict lung absorption in rats. J Drug Target, Volume 10 (1), 31-40, 2002"
Caffeine;MM00040;HBMEC;MDC36;0;25;;;;;;;;;;-4.20761;;;"Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB.: An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, Volume 9 (1), 6117, 2019"
Caffeine;MM00040;BBB;EPAMOL;;25;;;;;;;;;;-5.92;0.01;;"Tsinman O, Tsinman K, Sun N, Avdeef A.: Physicochemical selectivity of the BBB microenvironment governing passive diffusion--matching with a porcine brain lipid extract artificial membrane permeability model. Pharm Res, Volume 28 (2), 337-363, 2011"
Caffeine;MM00040;CACO;ECACO;;37;;;;;;;;;;-4.29671;;;"Yee S. In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth. Pharm Res. 1997, 14, 763-766"
Caffeine;MM00040;CACO;QSAR-PSA;;25;;;;;;;;;;-4.375;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Caffeine;MM00040;CACO;QSAR-HB;;25;;;;;;;;;;-4.035;;;"Subramanian G, Kitchen DB.: Computational approaches for modeling human intestinal absorption and permeability. J Mol Model, Volume 12 (5), 577-589, 2006"
Caffeine;MM00040;1-octanol;XLOGP3;;;;;;;;;;-0.1;;;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-5.91;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-5.77;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.96;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.72;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587320/  target=_blank>CHEMBL3587320</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-6.52;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-5.36;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-5.89;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4199447/  target=_blank>CHEMBL4199447</a>";;;;;;;;;-5.74;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;DOPC;CCM18;0;25;;;;;;;;;;-2.54;;;"in-house calculations"
Caffeine;MM00040;MDCK;EMDCK;0;25;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066303/  target=_blank>CHEMBL1066303</a>";;;;;;;;;-4.77;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;CACO;ECACO;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-4.41;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;CACO;ECACO;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655617/  target=_blank>CHEMBL655617</a>";;;;;;;;;-4.36;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;CACO;ECACO;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015280/  target=_blank>CHEMBL1015280</a>";;;;;;;;;-4.57;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;GENER;EPAM;0;25;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.75;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-7;;;"Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024"
Caffeine;MM00040;DMPC;CCM18;1;25;;;;;;;;0.97;;-13.83;;;"in-house calculations"
Caffeine;MM00040;GIT-0;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1602383  target=_blank>1602383</a>";;;;;;;;;-5.85;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;MDCK;EMDCK;0;25;"from A to B, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/461359  target=_blank>461359</a>";;;;;;;;;-4.77;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/266762  target=_blank>266762</a>";;;;;;;;;-5.05;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/266765  target=_blank>266765</a>";;;;;;;;;-5.63;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;PSKIN;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/310933  target=_blank>310933</a>";;;;;;;;;-5.63;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1129167  target=_blank>1129167</a>";;;;;;;;;-6.05;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1192730  target=_blank>1192730</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1192731  target=_blank>1192731</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1230203  target=_blank>1230203</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1230204  target=_blank>1230204</a>";;;;;;;;;-6.52;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1292332  target=_blank>1292332</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1334753  target=_blank>1334753</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1334754  target=_blank>1334754</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1336731  target=_blank>1336731</a>";;;;;;;;;-5.91;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1374214  target=_blank>1374214</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1374215  target=_blank>1374215</a>";;;;;;;;;-5.91;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1374511  target=_blank>1374511</a>";;;;;;;;;-5.44;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1390040  target=_blank>1390040</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1390042  target=_blank>1390042</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1397457  target=_blank>1397457</a>";;;;;;;;;-5.68;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1427528  target=_blank>1427528</a>";;;;;;;;;-5.91;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1437174  target=_blank>1437174</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1437175  target=_blank>1437175</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1453097  target=_blank>1453097</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1465293  target=_blank>1465293</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1465314  target=_blank>1465314</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1495957  target=_blank>1495957</a>";;;;;;;;;-5.96;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1496040  target=_blank>1496040</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1496041  target=_blank>1496041</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1557178  target=_blank>1557178</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1557184  target=_blank>1557184</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1585850  target=_blank>1585850</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1625122  target=_blank>1625122</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1625123  target=_blank>1625123</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1713986  target=_blank>1713986</a>";;;;;;;;;-5.85;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1713987  target=_blank>1713987</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/349880  target=_blank>349880</a>";;;;;;;;;-6;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/361979  target=_blank>361979</a>";;;;;;;;;-5.74;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/361981  target=_blank>361981</a>";;;;;;;;;-5.74;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/427196  target=_blank>427196</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/427197  target=_blank>427197</a>";;;;;;;;;-5.36;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/427198  target=_blank>427198</a>";;;;;;;;;-5.33;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/462614  target=_blank>462614</a>";;;;;;;;;-4.79;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/469403  target=_blank>469403</a>";;;;;;;;;-5.37;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/620399  target=_blank>620399</a>";;;;;;;;;-5.85;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/639368  target=_blank>639368</a>";;;;;;;;;-5.37;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/648667  target=_blank>648667</a>";;;;;;;;;-5.85;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/659472  target=_blank>659472</a>";;;;;;;;;-5.8;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"ph = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1384757  target=_blank>1384757</a>";;;;;;;;;-5.74;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"ph = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1427527  target=_blank>1427527</a>";;;;;;;;;-5.89;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;BBB;EPAM;0;25;"ph = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/693226  target=_blank>693226</a>";;;;;;;;;-5.61;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;GENER;EPAM;;25;0;;;;;;;;;-5.44;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;GENER;EPAM;;25;0;;;;;;;;;-4.82;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;GENER;EPAM;;25;0;;;;;;;;;-5.14;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;GENER;EPAM;;25;0;;;;;;;;;-5.11;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;CACO;ECACO;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/455986  target=_blank>455986</a>";;;;;;;;;-4.41;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;CACO;ECACO;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/592681  target=_blank>592681</a>";;;;;;;;;-4.47;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;CACO;ECACO;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/45275  target=_blank>45275</a>";;;;;;;;;-4.36;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;CACO;ECACO;0;25;"from A to B, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1823664  target=_blank>1823664</a>";;;;;;;;;-4.58;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;CACO;ECACO;0;25;"from B to A, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1823665  target=_blank>1823665</a>";;;;;;;;;-4.6;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;CACO;ECACO;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/414575  target=_blank>414575</a>";;;;;;;;;-4.57;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;CACO;ECACO;0;25;"<a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/1223490  target=_blank>1223490</a>";;;;;;;;;-4.51;;;"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE.: PubChem 2023 update. Nucleic Acids Res, Volume 51 (d1), D1373-D1380, 2023"
Caffeine;MM00040;CACO;ECACO;;37;"pH 7,2";;;;;;;;;-4.37;;;"Garberg P, Ball M, Borg N, Cecchelli R, Fenart L, Hurst RD, Lindmark T, Mabondzo A, Nilsson JE, Raub TJ, Stanimirovic D, Terasaki T, Oberg JO, Osterberg T. In vitro models for the blood-brain barrier. Toxicol In Vitro. 2005 Apr;19(3):299-334."
Caffeine;MM00040;MDCK;EMDCK;;37;"pH 7,2";;;;;;;;;-4.4;;;"Garberg P, Ball M, Borg N, Cecchelli R, Fenart L, Hurst RD, Lindmark T, Mabondzo A, Nilsson JE, Raub TJ, Stanimirovic D, Terasaki T, Oberg JO, Osterberg T. In vitro models for the blood-brain barrier. Toxicol In Vitro. 2005 Apr;19(3):299-334."