TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T13714 Oxysterols receptor LXR-beta D0S5LT Deoxynojirimycin Phase 3 29435 C6H13NO4 163.17 C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O IC50 ~ 100000 nM Poor binder T13714 Oxysterols receptor LXR-beta D0R9YR BETULINIC ACID Phase 1 64971 C30H48O3 456.7 CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta B0EC9F (Dodecahydro-carbazol-9-yl)-((1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-yl)-methanone Investigative 44403656 C29H41NO2 435.6 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)N4C5CCCCC5C6C4CCCC6 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta B1KR6P (1S,4As,10aR)-N-[1-(1-adamantyl)ethyl]-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 10252443 C29H41NO2 435.6 CC(C12CC3CC(C1)CC(C3)C2)NC(=O)[C@]4(CCC[C@]5([C@H]4CCC6=C5C=C(C=C6)O)C)C EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta B1V8RY (1S,4As,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid allyl ester Investigative 44403619 C20H26O3 314.4 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)OCC=C EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta B29EZK (1S,4As,10aR)-N-(1-adamantylmethyl)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 10070833 C28H39NO2 421.6 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)NCC45CC6CC(C4)CC(C6)C5 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta B40DZT ((1R,4Ar,7S,8aS,10aS)-1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)methanol Investigative 14239481 C20H32O 288.5 C[C@]1(CCC[C@@]2([C@@H]1CC[C@@H]3C2=CC[C@](C3)(C)C=C)C)CO EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta B4MAO9 3-Benzyl-8-chloro-4-[3-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]phenyl]cinnoline Investigative 11854572 C29H19Cl2F3N2O 539.4 C1=CC=C(C=C1)CC2=NN=C3C(=C2C4=CC(=CC=C4)OCC5=C(C=CC(=C5)Cl)C(F)(F)F)C=CC=C3Cl IC50 = 85000 nM Poor binder T13714 Oxysterols receptor LXR-beta B4S3GB (1S,4As,10aR)-N-(2-adamantyl)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 10001458 C27H37NO2 407.6 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)NC4C5CC6CC(C5)CC4C6 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta B57IDG (1S,4As,10aR)-6-hydroxy-1,4a-dimethyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 44403645 C27H39NO2 409.6 C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1NC(=O)[C@]3(CCC[C@]4([C@H]3CCC5=C4C=C(C=C5)O)C)C EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta B7OID1 8-Chloro-4-(3-{[5-chloro-2-(trifluoromethyl)benzyl]oxy}phenyl)-3-phenylcinnoline Investigative 45273240 C28H17Cl2F3N2O 525.3 C1=CC=C(C=C1)C2=NN=C3C(=C2C4=CC(=CC=C4)OCC5=C(C=CC(=C5)Cl)C(F)(F)F)C=CC=C3Cl IC50 = 65000 nM Poor binder T13714 Oxysterols receptor LXR-beta B8UB4M 3-Benzyl-4-(3-{[2-fluoro-3-(trifluoromethyl)benzyl]oxy}-phenyl)-8-(trifluoromethyl)cinnoline Investigative 11853546 C30H19F7N2O 556.5 C1=CC=C(C=C1)CC2=NN=C3C(=C2C4=CC(=CC=C4)OCC5=C(C(=CC=C5)C(F)(F)F)F)C=CC=C3C(F)(F)F IC50 = 63000 nM Poor binder T13714 Oxysterols receptor LXR-beta B9GQ7I 2-(2-(Ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)-2-phenylethoxy)acetic acid Investigative 44416861 C21H21F6NO4 465.4 CCN(C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O)C(COCC(=O)O)C2=CC=CC=C2 IC50 = 90000 nM Poor binder T13714 Oxysterols receptor LXR-beta B9QGL2 (1S,4As,10aR)-6-hydroxy-1,4a-dimethyl-N-[(1-phenylcyclohexyl)methyl]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 10433666 C30H39NO2 445.6 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)NCC4(CCCCC4)C5=CC=CC=C5 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BBTC81 (1S,4As,10aR)-6-hydroxy-1,4a-dimethyl-N-(2-phenylethyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 44403626 C25H31NO2 377.5 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)NCCC4=CC=CC=C4 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BDB52M Polycarpol Investigative 11697907 C30H48O2 440.7 C[C@H](CCC=C(C)C)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BFE39Y 4-(N-(3-Chloro-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanamido)phenyl)-N-methylsulfamoyl)benzoic acid Investigative 44573717 C18H16ClF3N2O6S 480.8 CC(C(=O)NC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)Cl)(C(F)(F)F)O EC50 ~ 100000 nM Poor binder T13714 Oxysterols receptor LXR-beta BFE6Q0 (1R,4Ar,7S,8aS,10aS)-N-(1-adamantylmethyl)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxamide Investigative 44559244 C31H47NO 449.7 C[C@@]12CCC[C@@]([C@H]1CC[C@@H]3C2=CC[C@](C3)(C)C=C)(C)C(=O)NCC45CC6CC(C4)CC(C6)C5 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BFG3A0 (1S,4As,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid but-3-enyl ester Investigative 44403620 C21H28O3 328.4 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)OCCC=C EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BI07WE (1S,4As,10aR)-1,4a-dimethyl-N-[(1-phenylcyclohexyl)methyl]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 10342621 C30H39NO 429.6 C[C@]12CCC[C@]([C@@H]1CCC3=CC=CC=C23)(C)C(=O)NCC4(CCCCC4)C5=CC=CC=C5 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BI5K3Z Acanthoic acid Investigative 9817887 C20H30O2 302.5 C[C@@]12CCC[C@@]([C@H]1CC[C@@H]3C2=CC[C@](C3)(C)C=C)(C)C(=O)O EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BI8V9B (1S,4As,10aR)-N-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 44403639 C26H37NO2 395.6 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)NC4CCC5CC4C5(C)C EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BK0O9S Podocarpic acid Investigative 93017 C17H22O3 274.35 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)O EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BKP3I6 (1S,4As,10aR)-N-(adamantane-1-carbonyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 44403570 C28H37NO2 419.6 C[C@]12CCC[C@]([C@@H]1CCC3=CC=CC=C23)(C)C(=O)NC(=O)C45CC6CC(C4)CC(C6)C5 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BOM56K (1S,4As,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid pent-4-enyl ester Investigative 44403625 C22H30O3 342.5 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)OCCCC=C EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BP4YJ7 (1S,4As,10aR)-N-(2-bicyclo[2.2.1]heptanyl)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 44403633 C24H33NO2 367.5 C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)NC4CC5CCC4C5 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BTK48R 3-Benzyl-4-(3-{[5-chloro-2-(trifluoromethyl)benzyl]oxy}-phenyl)-8-(trifluoromethyl)cinnoline Investigative 11853795 C30H19ClF6N2O 572.9 C1=CC=C(C=C1)CC2=NN=C3C(=C2C4=CC(=CC=C4)OCC5=C(C=CC(=C5)Cl)C(F)(F)F)C=CC=C3C(F)(F)F IC50 = 57000 nM Poor binder T13714 Oxysterols receptor LXR-beta BUHR84 Rosacea acid B Investigative 44559230 C30H48O3 456.7 C[C@H](CC/C=C(\\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2CC=C4[C@H]3CC[C@H](C4(C)C)O)C)C)C EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BV2B1J 3-(4-(N-(3-Chloro-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanamido)phenyl)-N-methylsulfamoyl)phenyl)propanoic acid Investigative 44573719 C20H20ClF3N2O6S 508.9 CC(C(=O)NC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)Cl)(C(F)(F)F)O EC50 ~ 100000 nM Poor binder T13714 Oxysterols receptor LXR-beta BV9RW6 (1S,4As,10aR)-N-(2,2-diphenylpropyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 44403557 C32H37NO 451.6 C[C@]12CCC[C@]([C@@H]1CCC3=CC=CC=C23)(C)C(=O)NCC(C)(C4=CC=CC=C4)C5=CC=CC=C5 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BVX79Z (1S,4As,10aR)-1,4a-dimethyl-N-(1-phenylcyclohexanecarbonyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Investigative 44403571 C30H37NO2 443.6 C[C@]12CCC[C@]([C@@H]1CCC3=CC=CC=C23)(C)C(=O)NC(=O)C4(CCCCC4)C5=CC=CC=C5 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta BWS5V3 [3-(3-Benzyl-8-chlorocinnolin-4-yl)phenyl][5-fluoro-2-(trifluoromethyl)benzyl]amine Investigative 11855623 C29H20ClF4N3 521.9 C1=CC=C(C=C1)CC2=NN=C3C(=C2C4=CC(=CC=C4)NCC5=C(C=CC(=C5)F)C(F)(F)F)C=CC=C3Cl IC50 = 62000 nM Poor binder T13714 Oxysterols receptor LXR-beta BYQO83 1-Adamantan-1-yl-3-((1S,4aS,10aR)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-yl)-propane-1,3-dione Investigative 44403589 C29H38O2 418.6 C[C@]12CCC[C@]([C@@H]1CCC3=CC=CC=C23)(C)C(=O)CC(=O)C45CC6CC(C4)CC(C6)C5 EC50 ~ 50000 nM Poor binder T13714 Oxysterols receptor LXR-beta D09VLE 4,12,17-dehydroxyriccardin C Investigative 24860516 C28H24O 376.5 C1CC2=CC(=CC=C2)OC3=CC=C(CCC4=CC=CC=C4C5=CC=C1C=C5)C=C3 IC50 = 77000 nM Poor binder T13714 Oxysterols receptor LXR-beta D0U4TN 2-(2-hexylphenyl)isoindoline-1,3-dione Investigative 10638446 C20H21NO2 307.4 CCCCCCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C2=O IC50 = 65000 nM Poor binder T13714 Oxysterols receptor LXR-beta D0V3PG CYANIDIN Investigative 128861 C15H11O6+ 287.24 C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O EC50 = 125200 nM Poor binder