TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T24982 Ileal sodium/bile acid cotransporter D0G3SH Ursodeoxycholic acid Approved 31401 C24H40O4 392.6 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C Ki = 75000 nM Poor binder T24982 Ileal sodium/bile acid cotransporter B8O9CL 4-[[(4S)-4-Carboxy-4-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]butanoyl]amino]benzoic acid Investigative 49799626 C36H52N2O8 640.8 C[C@H](CCC(=O)N[C@@H](CCC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](C[C@@H]5[C@@]4(CC[C@H](C5)O)C)O)C Ki = 108000 nM Poor binder T24982 Ileal sodium/bile acid cotransporter BE6J5I 2,3,4,5-Tetrahydro-3,3-dibutyl-4alpha-hydroxy-5alpha-(4-methoxyphenyl)-7-(dimethylamino)-1-benzothiepin 1,1-dioxide Investigative 9934571 C27H39NO4S 473.7 CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC=C(C=C3)OC)CCCC IC50 ~ 63000 nM Poor binder T24982 Ileal sodium/bile acid cotransporter BI02SB (4R,5R)-7-Amino-3,3-dimethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol Investigative 11551679 C18H21NO3S 331.4 CC1(CS(=O)(=O)C2=C(C=C(C=C2)N)[C@H]([C@H]1O)C3=CC=CC=C3)C IC50 ~ 50000 nM Poor binder T24982 Ileal sodium/bile acid cotransporter BL43BZ 2-[[(4R)-4-[(2S,18R)-2,18-Dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-yl]pentanoyl]amino]acetic acid Investigative 44392360 C27H41N3O3 455.6 C[C@H](CCC(=O)NCC(=O)O)C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC5=C(C4)NN=C5)C)C IC50 = 60000 nM Poor binder T24982 Ileal sodium/bile acid cotransporter BM69TF 3-[[[(4S)-4-Carboxy-4-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]butanoyl]amino]methyl]benzoic acid Investigative 49799627 C37H54N2O8 654.8 C[C@H](CCC(=O)N[C@@H](CCC(=O)NCC1=CC(=CC=C1)C(=O)O)C(=O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](C[C@@H]5[C@@]4(CC[C@H](C5)O)C)O)C Ki = 126000 nM Poor binder T24982 Ileal sodium/bile acid cotransporter D0W8GY bromsulphthalein Investigative 6282 C20H8Br4Na2O10S2 838 C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+] Ki = 144000 nM Poor binder