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	D0DK8X	BMS-911543	Phase 2	50922691	C23H28N8O	432.5	CCN1C(=CC2=C3C(=C(N=C21)NC4=NN(C(=C4)C)C)N=CN3C)C(=O)N(C5CC5)C6CC6	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B05CBV	(8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(2R)-2-(methoxymethyl)morpholine-4-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	76336383	C35H44N4O7S	664.8	CN(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2C[C@]4(C[C@H]4C5=C3C=CC(=C5)OC)C(=O)N6CCO[C@H](C6)COC)C7CCCCC7	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B0QL8Y	19-Cyclohexyl-10-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	23652855	C35H42N4O6S	646.8	CN(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC4(CC4C5=C3C=CC(=C5)OC)C(=O)N6CC(C6)(C7CC7)O)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B1A6WF	19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxyazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	23652709	C32H38N4O6S	606.7	CN(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC4(CC4C5=C3C=CC(=C5)OC)C(=O)N6CC(C6)O)C7CCCCC7	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B1AEU4	Chembl4126289	Investigative	54677935	C17H18FN3O4	347.34	CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=C(C=C3)F)C	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B1CQH4	19-Cyclohexyl-10-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	76310996	C36H46N6O6S	690.9	CN(C)C(=O)N1CCN(CC1)C(=O)C23CC2C4=C(C=CC(=C4)OC)C5=C(C6=C(N5C3)C=C(C=C6)C(=O)NS(=O)(=O)N(C)C)C7CCCCC7	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B2BRH5	19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	25018324	C37H47N5O5S	673.9	CCN1CC2CCC(C1)N2C(=O)C34CC3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B2MN3J	(8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,6-diazabicyclo[3.1.1]heptane-6-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	76321910	C35H43N5O5S	645.8	CN1CC2CC(C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B2SKM9	3-[1-(4-Chlorophenyl)cyclopropyl]-8-Cyclopropyl[1,2,4]triazolo[4,3-A]pyridine	Investigative	118709259	C18H16ClN3	309.8	C1CC1C2=CC=CN3C2=NN=C3C4(CC4)C5=CC=C(C=C5)Cl	EC50 = 50000 nM	Poor binder
T82702	Pregnane X receptor	B2WH4C	19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	23652708	C33H40N4O6S	620.8	CC1(CN(C1)C(=O)C23CC2C4=C(C=CC(=C4)OC)C5=C(C6=C(N5C3)C=C(C=C6)C(=O)NS(=O)(=O)N(C)C)C7CCCCC7)O	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B36WAV	4-[8-(3-Chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.2]octan-1-ol	Investigative	15953464	C21H22ClN3O2	383.9	CC1=C(C=CC=C1Cl)OC2=CC=CN3C2=NN=C3C45CCC(CC4)(CC5)O	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B3DX9Q	4-(4-Fluorophenyl)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]adamantane-1-carboxamide	Investigative	59337199	C22H27FN2O3	386.5	C1C2CC3CC(C2)(CC1C3(CC(=O)N4CC(C4)O)C5=CC=C(C=C5)F)C(=O)N	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B3GO8L	Beclabuvir	Investigative	56934415	C36H45N5O5S	659.8	CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B3ZNU4	19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-propan-2-ylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	23652857	C35H44N4O6S	648.8	CC(C)C1(CN(C1)C(=O)C23CC2C4=C(C=CC(=C4)OC)C5=C(C6=C(N5C3)C=C(C=C6)C(=O)NS(=O)(=O)N(C)C)C7CCCCC7)O	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B40NUK	19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	23650702	C36H47N5O5S	661.9	C[C@@H]1CN(C[C@@H](N1C)C)C(=O)C23CC2C4=C(C=CC(=C4)OC)C5=C(C6=C(N5C3)C=C(C=C6)C(=O)NS(=O)(=O)N(C)C)C7CCCCC7	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B4QK9B	Chembl4215754	Investigative	145973260	C25H29FN10O3S	568.6	CN1C2=C(N=C(N3C2=NC(=N3)C4=NC=CS4)N)N(C1=O)CCN5CCN(CC5)C6=CC(=C(C=C6)OCCOC)F	EC50 ~ 60000 nM	Poor binder
T82702	Pregnane X receptor	B4S2JD	2-[2-(4-Fluorophenyl)-5-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone	Investigative	24945724	C21H26FNO3	359.4	C1C2CC3CC(C2)(CC1C3(CC(=O)N4CC(C4)O)C5=CC=C(C=C5)F)O	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B4Z1ED	1-(2-Fluoro-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one	Investigative	57550042	C24H27FN4O4S	486.6	CCCC1=CN=C(N=C1)N2CCC(CC2)OC3=CC(=O)N(C=C3)C4=C(C=C(C=C4)S(=O)(=O)C)F	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B6GP9V	Bms-903452	Investigative	53477157	C21H19Cl2FN4O4S	513.4	CS(=O)(=O)C1=CC(=C(C=C1)N2C=C(C(=CC2=O)OC3CCN(CC3)C4=NC=C(C=N4)Cl)Cl)F	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B7DBO8	Levothyroxine	Investigative	5819	C15H11I4NO4	776.87	C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N	EC50 = 100000 nM	Poor binder
T82702	Pregnane X receptor	B7J6VQ	CID 49847753	Investigative	49847753	C30H28N6O3	520.6	CC1=C(N=CC=C1)CN2CCC3(CC2)C(=O)N(C(=O)N3C4=CC=NC(=O)N4)C5=CC=C(C=C5)C6=CC=CC=C6	IC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B87KNB	(8S,10R)-19-Cyclohexyl-N-cyclopropylsulfonyl-5-fluoro-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	137633970	C36H41FN4O4S	644.8	CN1CC2CCC(C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)F)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)C8CC8)C9CCCCC9	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	B98XLY	19-Cyclohexyl-10-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	16117661	C35H45N5O5S	647.8	C[C@@H]1CN(C[C@@H](N1)C)C(=O)C23CC2C4=C(C=CC(=C4)OC)C5=C(C6=C(N5C3)C=C(C=C6)C(=O)NS(=O)(=O)N(C)C)C7CCCCC7	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BB1O5E	19-Cyclohexyl-10-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	25019000	C35H43N5O5S	645.8	CN(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC4(CC4C5=C3C=CC(=C5)OC)C(=O)N6CC7CCC(C6)N7)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BB9Y0K	4-(4-Fluorophenyl)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]adamantane-1-carbonitrile	Investigative	59337052	C22H25FN2O2	368.4	C1C2CC3CC(C2)(CC1C3(CC(=O)N4CC(C4)O)C5=CC=C(C=C5)F)C#N	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BD0Q1V	2-[2-(4-Fluorophenyl)-1-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone	Investigative	74369475	C21H26FNO3	359.4	C1C2CC3CC1CC(C2)(C3(CC(=O)N4CC(C4)O)C5=CC=C(C=C5)F)O	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BE4A0N	2-[2-(4-Fluorophenyl)-4-hydroxy-4-methyl-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone	Investigative	74369476	C22H28FNO3	373.5	CC1(C2CC3CC(C2)C(C1C3)(CC(=O)N4CC(C4)O)C5=CC=C(C=C5)F)O	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BEG6V2	4-Fluoro-2-(4-Fluorophenyl)-N-Methyl-5-(2-Methyl-5-{[1-(Pyrimidin-2-Yl)cyclopropyl]carbamoyl}phenyl)-1-Benzofuran-3-Carboxamide	Investigative	59275404	C31H24F2N4O3	538.5	CC1=C(C=C(C=C1)C(=O)NC2(CC2)C3=NC=CC=N3)C4=C(C5=C(C=C4)OC(=C5C(=O)NC)C6=CC=C(C=C6)F)F	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BF7QD1	(8S,11S,14S,17S,28S,31S,34S,37R)-37-(Cyclopropylsulfonylamino)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,23-dioxa-5,6,7,10,13,16,30,33,36-nonazahexacyclo[37.2.2.219,22.14,7.18,11.128,31]octatetraconta-1(42),4(48),5,19,21,39(43),40,45-octaene-17-carboxylic acid	Investigative	122187534	C83H106N14O14S	1555.9	C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H]2CCCCOC3=CC=C(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]4C[C@@H](CN4C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)N5C=C(COC6=CC=C(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1C2)CC7=CC8=CC=CC=C8C=C7)NS(=O)(=O)C9CC9)C=C6)N=N5)CC1=CC2=CC=CC=C2C=C1)C(=O)O)C=C3)C(C)(C)C)NC	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BFND67	1-[(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-[(1R,3R)-3-hydroxycyclopentyl]urea	Investigative	57889180	C24H36ClN3O4	466	CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC(=O)N[C@@H]3CC[C@H](C3)O	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BGL80W	Dimercaprol	Investigative	3080	C3H8OS2	124.23	C(C(CS)S)O	EC50 = 50100 nM	Poor binder
T82702	Pregnane X receptor	BGNQ98	CID 49849115	Investigative	49849115	C30H28N6O3	520.6	CC1=C(N=CC=C1)CN2CCC3(CC2)C(=O)N(C(=O)N3C4=NNC(=O)C=C4)C5=CC=C(C=C5)C6=CC=CC=C6	IC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BHX63R	(8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	49773361	C36H45N5O5S	659.8	CN1CC2CCC(C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BI2Y6V	8-[(3-Methylpyridin-2-yl)methyl]-1-(4-oxo-1H-pyridin-2-yl)-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione	Investigative	57386524	C31H29N5O3	519.6	CC1=C(N=CC=C1)CN2CCC3(CC2)C(=O)N(C(=O)N3C4=CC(=O)C=CN4)C5=CC=C(C=C5)C6=CC=CC=C6	IC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BJ90ZU	2-(4-Fluorophenyl)-N-methyl-5-(2-methyl-5-(1-(pyrimidin-2-yl)cyclopropylcarbamoyl)phenyl)benzofuran-3-carboxamide	Investigative	46178246	C31H25FN4O3	520.6	CC1=C(C=C(C=C1)C(=O)NC2(CC2)C3=NC=CC=N3)C4=CC5=C(C=C4)OC(=C5C(=O)NC)C6=CC=C(C=C6)F	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BLTW28	Chembl4173715	Investigative	137628648	C25H19F5N4O4	534.4	C1C[C@](C(=O)C2=C1C=C(C=C2)C3=CN=C(C=N3)NC(=O)NC4=CC(=C(C=C4)F)F)(CC(=O)O)CC(F)(F)F	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BM65FW	(8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-ethyl-3,6-diazabicyclo[3.1.1]heptane-6-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	57720515	C36H45N5O5S	659.8	CCN1CC2CC(C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BMK2Q0	10-[(3R,5S)-4-Acetyl-3,5-dimethylpiperazine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	17757343	C37H47N5O6S	689.9	C[C@@H]1CN(C[C@@H](N1C(=O)C)C)C(=O)C23CC2C4=C(C=CC(=C4)OC)C5=C(C6=C(N5C3)C=C(C=C6)C(=O)NS(=O)(=O)N(C)C)C7CCCCC7	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BP4JD9	8-[(3-Methylpyridin-2-yl)methyl]-1-(6-oxo-1H-pyrimidin-4-yl)-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione	Investigative	136069494	C30H28N6O3	520.6	CC1=C(N=CC=C1)CN2CCC3(CC2)C(=O)N(C(=O)N3C4=CC(=O)NC=N4)C5=CC=C(C=C5)C6=CC=CC=C6	IC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BP4L3H	2-[2-(4-Fluorophenyl)-2-adamantyl]acetic acid	Investigative	1475852	C18H21FO2	288.4	C1C2CC3CC1CC(C2)C3(CC(=O)O)C4=CC=C(C=C4)F	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BP7RI1	2-[2-(4-Fluorophenyl)-6-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone	Investigative	24744018	C21H26FNO3	359.4	C1C2CC3CC(C2O)CC1C3(CC(=O)N4CC(C4)O)C5=CC=C(C=C5)F	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BPL46O	10-(4-Acetylpiperazine-1-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	76314629	C35H43N5O6S	661.8	CC(=O)N1CCN(CC1)C(=O)C23CC2C4=C(C=CC(=C4)OC)C5=C(C6=C(N5C3)C=C(C=C6)C(=O)NS(=O)(=O)N(C)C)C7CCCCC7	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BQ0XN1	19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,6-diazabicyclo[3.1.1]heptane-6-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	57720601	C35H43N5O5S	645.8	CN1CC2CC(C1)N2C(=O)C34CC3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BQY20N	19-Cyclohexyl-10-(3,6-diazabicyclo[3.1.1]heptane-6-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	76336366	C34H41N5O5S	631.8	CN(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC4(CC4C5=C3C=CC(=C5)OC)C(=O)N6C7CC6CNC7)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BRM73V	19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-phenylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	23652916	C38H42N4O6S	682.8	CN(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC4(CC4C5=C3C=CC(=C5)OC)C(=O)N6CC(C6)(C7=CC=CC=C7)O)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BRU5T2	(8S,10R)-19-Cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-propan-2-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	25144536	C37H46N4O5S	658.9	CC(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2C[C@]4(C[C@H]4C5=C3C=CC(=C5)OC)C(=O)N6C7CCC6CN(C7)C)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BT03WH	5-[[2-(4-Phenylphenyl)-2-adamantyl]methyl]-2H-tetrazole	Investigative	73213123	C24H26N4	370.5	C1C2CC3CC1CC(C2)C3(CC4=NNN=N4)C5=CC=C(C=C5)C6=CC=CC=C6	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BUG19D	19-Cyclohexyl-N-(dimethylsulfamoyl)-10-[3-(4-fluorophenyl)-3-hydroxyazetidine-1-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide	Investigative	23652854	C38H41FN4O6S	700.8	CN(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC4(CC4C5=C3C=CC(=C5)OC)C(=O)N6CC(C6)(C7=CC=C(C=C7)F)O)C8CCCCC8	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BVS86T	2-[2-(4-Fluorophenyl)-5-methoxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone	Investigative	24945801	C22H28FNO3	373.5	COC12CC3CC(C1)C(C(C3)C2)(CC(=O)N4CC(C4)O)C5=CC=C(C=C5)F	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BXKA43	1-[(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-[(1R,3S)-3-hydroxycyclopentyl]urea	Investigative	118714001	C24H36ClN3O4	466	CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC(=O)N[C@@H]3CC[C@@H](C3)O	EC50 ~ 50000 nM	Poor binder
T82702	Pregnane X receptor	BY32EK	N-[(3Ar,4R,5R,7S,7aS)-2-[4-cyano-3-(trifluoromethyl)phenyl]-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-5-yl]ethanesulfonamide	Investigative	122192293	C20H20F3N3O5S	471.5	CCS(=O)(=O)N[C@@H]1C[C@]2([C@@H]3[C@H]([C@]1(O2)C)C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)C	EC50 ~ 50000 nM	Poor binder