TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T82702 Pregnane X receptor BDC2J3 3-(((6-((5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzoic acid Investigative 49862248 C28H22Cl2F3N3O4 592.4 CN(CC1=CC(=CC=C1)C(=O)O)C2=C(N=C(C=C2)OCC3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C5CC5)C(F)(F)F EC50 = 390000 nM Non binder T82702 Pregnane X receptor BDC9B2 5-Cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Investigative 56952795 C15H17N5S 299.4 CC1=C(SC(=N1)C)CNC2=CC(=NC3=CC=NN32)C4CC4 EC50 > 250000 nM Non binder T82702 Pregnane X receptor BO6L0R 4-(((6-((3-(2,6-Dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzoic acid Investigative 24748569 C28H24Cl2F3N3O4 594.4 CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3=NC(=C(C=C3)N(C)CC4=CC=C(C=C4)C(=O)O)C(F)(F)F EC50 > 1282000 nM Non binder T82702 Pregnane X receptor BYN7I1 4-(((6-((5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzoic acid Investigative 44476535 C28H22Cl2F3N3O4 592.4 CN(CC1=CC=C(C=C1)C(=O)O)C2=C(N=C(C=C2)OCC3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C5CC5)C(F)(F)F EC50 = 3871000 nM Non binder