Compound ID Pharmacological profile Compound name Binding data Activity data Bibliographic ref Cross-reactivity
CHEMBL1801746 agonist Compound 10 PMID: 21561094
CHEMBL1801747 agonist Compound 11 PMID: 21561094
CHEMBL1807060 agonist Compound 8 PMID: 21618996
CHEMBL1807061 agonist Compound 3 PMID: 21561094
CHEMBL1807063 agonist Compound 9 PMID: 21618996
CHEMBL238908 agonist Compound ent-2 PMID: 17963371
CHEMBL240597 agonist Compound 2 PMID: 17963371 FXR_alpha
CHEMBL242293 agonist Compound 10 pIC50 = 7.2 pEC50 = 7.8 PMID: 17215127
CHEMBL242526 agonist Compound 2 pIC50 = 5.0 pEC50 = 6.0 PMID: 17215127
CHEMBL242527 agonist Compound 3 pIC50 = 5.4 pEC50 = 6.3 PMID: 17215127
CHEMBL242528 agonist Compound 5 pIC50 = 6.5 pEC50 = 6.8 PMID: 17215127
CHEMBL259223 agonist Compound 6 PMID: 21561094
CHEMBL261696 agonist Compound 5 PMID: 21561094
CHEMBL263382 agonist vitamin K2 PMID: 12920130
CHEMBL370872 antagonist UCL2158H IC50 = 14.61 µM / max % inhibition = 109 PMID: 18583127
CHEMBL374478 agonist rifampicin EC50 = 710 µM PMID: 10748001
CHEMBL388024 agonist Compound 4 pIC50 = 6.6 pEC50 = 6.9 PMID: 17215127
CHEMBL392740 agonist Compound ent-1 PMID: 17963371
CHEMBL396952 agonist Compound 9 pIC50 = 7.6 pEC50 = 8.5 PMID: 17215127
CHEMBL396953 agonist Compound 11 pIC50 = 6.2 pEC50 = 6.0 PMID: 17215127
CHEMBL430006 agonist Compound 12 pIC50 = 7.7 pEC50 = 8.0 PMID: 17215127
CHEMBL450449 antagonist Ecteinascidin-743 IC50 = 3nM PMID: 11329060 
CHEMBL457271 agonist C2BA-4 (1) EC50 = 49 +/- 15 nM PMID: 18304819
CID8273 antagonist bromocresol purple PMID: 20869355
ZINC00001219 antagonist coumestrol IC50 = 12 µM PMID: 18096694  ER_alpha
ZINC00004785 agonist carbamazepine EC50 = 15.6 +/- 7.64 µM PMID: 16328606 
ZINC00056964 antagonist bisphenol S PMID: 20869355
ZINC00599734 agonist lansoprazole EC50 = 3.02 +/- 1.95 µM PMID: 16328606 
ZINC00601283 agonist indomethacin EC50 = 17.6 +/- 7.90 µM PMID: 16328606 
ZINC00968279 agonist troglitazone EC50 = 3.45 +/- 0.84 µM PMID: 16328606  PPAR_gamma
ZINC01530862 agonist primaquine EC50 = 13.6 +/- 6.10 µM PMID: 16328606 
ZINC01537619 agonist Compound 1 pEC50 = 6.6 PMID: 21907579
ZINC01550221 agonist T0901317 pIC50 = 7.4 pEC50 = 7.9 PMID: 17215127 LXR_alpha
ZINC01751810 agonist TCPOBOP EC50 = 3.9 µM PMID: 10748001 CAR
ZINC02000967 agonist schisandrin A EC50 = 1.25 µM PMID: 16267138 
ZINC02169963 agonist lithocholic acid Ki = 9 µM PMID: 11248085
ZINC02510358 agonist phenytoin EC50 = 8.03 +/- 5.18 µM PMID: 16328606 
ZINC03137566 agonist phenobarbital EC50 = 370 +/- 11 µM PMID: 15548381
ZINC03633644 agonist Compound 3 pEC50 = 7.8 PMID: 21907579
ZINC03799969 agonist SR12813 Ki = 41 nM EC50 = 120 n M PMID: 10748001
ZINC03807804 agonist clotrimazole EC50 = 1.6 µM PMID: 10748001 CAR
ZINC03831128 agonist mifepristone EC50 = 5.5 µM PMID: 10748001
GR
ZINC03860920 antagonist thymolphtalein PMID: 20869355
ZINC03871832 agonist verapamil EC50 = 3.19 +/- 1.42 µM PMID: 16328606 
ZINC03875332 agonist dexamethasone EC50 = 5-10 µM PMID: 9727070
ZINC03875544 agonist warfarin EC50 = 49.5 +/- 16 µM PMID: 16328606 
ZINC03876136 agonist betamethasone EC50 = 19.9 +/- 1.59 µM PMID: 16328606 
ZINC04098025 agonist artemisin EC50 = 5-34 µM PMID: 15761118
ZINC04676424 agonist pantoprazole EC50 = 6.84 +/- 2.16 µM PMID: 16328606 
ZINC04693574 agonist omeprazole EC50 = 8.63 +/- 3.14 µM PMID: 16328606 
ZINC06036225 agonist 3-keto-litocholic acid Ki = 15 µM PMID: 11248085 VDR
ZINC06718468 agonist Compound 1 %transactivation = 90-123 PMID: 20153189
ZINC07992661 agonist (+)-S20 EC50 = 400 nM PMID: 15872116
ZINC12496506 agonist rabeprazole EC50 = 1.49 +/- 0.58 µM PMID: 16328606 
ZINC14514081 agonist hyperforin Ki = 27 nM EC50 = 23 nM PMID: 10852961
ZINC19594578 agonist nifedipine Fold induction = 10 PMID: 9770465 MR
ZINC29040943 agonist Compound 2a %transactivation = 147 PMID: 20153189
ZINC29044661 agonist Compound 2 EC50 = 1.6 µM PMID: 21334894
ZINC29128555 agonist Compound 8a activation = 89 % PMID: 18240388
ZINC29128965 agonist Compound 7a activation = 99 % PMID: 18240388
ZINC29129212 agonist Compound 6c activation  = 95 % PMID: 18240388
ZINC38558781 agonist Compound 4 EC50 = 1.7 µM PMID: 21334894
ZINC40379700 agonist Compound 6c EC50 = 23 +/- 10 nM PMID: 18304819
ZINC40380137 agonist Compound 6g EC50 = 336 +/- 217 nM PMID: 18304819
ZINC40380280 agonist Compound 9a EC50 = 1456 +/- 746 nM PMID: 18304819
ZINC40380552 agonist Compound 15b EC50 = 55 +/ -19 nM PMID: 18304819
ZINC40392094 agonist Compound 10a EC50 = 515 +/- 281 nM PMID: 18304819
ZINC40392398 agonist Compound 6k EC50 = 45 +/- 13 nM PMID: 18304819
ZINC40392807 agonist Compound 6e EC50 = 101 +/- 33 nM PMID: 18304819
ZINC40392984 agonist Compound 6o EC50 = 42 +/- 10 nM PMID: 18304819
ZINC40393413 agonist Compound 6j EC50 = 388 +/- 105 nM PMID: 18304819
ZINC40393539 agonist Compound 6p EC50 = 52 +/- 12 nM PMID: 18304819
ZINC40431134 agonist Compound 38 EC50 = 2.4 µM PMID: 18440811
ZINC40846385 agonist Compound 8 EC50 = 197 +/- 200 nM PMID: 18304819
ZINC40846401 agonist Compound 15a EC50 = 385 +/- 239 nM PMID: 18304819
ZINC40848165 agonist Compound 6h EC50 = 20 +/- 9 nM PMID: 18304819
ZINC40848293 agonist Compound 6a EC50 = 176 +/- 73 nM PMID: 18304819
ZINC40848294 agonist Compound 6b EC50 = 428 +/- 104 nM PMID: 18304819
ZINC40848457 agonist Compound 6f EC50 = 271 +/- 98 nM PMID: 18304819
ZINC40848459 agonist Compound 6i EC50 = 51 +/- 16 nM PMID: 18304819
ZINC40860415 agonist Compound 7a EC50 = 376 +/- 230 nM PMID: 18304819
ZINC40860417 agonist Compound 7b EC50 = 340 +/- 110 nM PMID: 18304819
ZINC40866727 agonist Compound 6l EC50 = 33 +/- 11 nM PMID: 18304819
ZINC40866754 agonist Compound 14a EC50 = 55 +/- 32 nM PMID: 18304819
ZINC40867190 agonist Compound 6m EC50 = 1.5 +/- 0.5 nM PMID: 18304819
ZINC40872710 agonist Compound 6n EC50 = 0.7 +/- 0.3 nM PMID: 18304819
ZINC40873157 agonist Compound 10b EC50 = 217 +/- 144 nM PMID: 18304819
ZINC40873818 agonist Compound 6d EC50 = 20 +/- 8 nM PMID: 18304819
ZINC40878501 agonist Compound 14b EC50 = 13 +/ - 5 nM PMID: 18304819
ZINC40936229 antagonist FL-B-12 IC50 = 13.68 µM ; max % inhibition = 103 PMID: 18583127
ZINC40953929 agonist Compound 35 EC50 = 1.7 µM PMID: 18440811
ZINC49016487 agonist Compound 4c %transactivation = 120 PMID: 20153189
ZINC49020143 agonist Compound 4d %transactivation = 113 PMID: 20153189
ZINC49872045 agonist Compound 4l %transactivation = 102 PMID: 20153189
ZINC51119024 agonist Compound 1 EC50 = 1.1 µM PMID: 18763755
ZINC66099714 agonist solomonsterol A EC50 = 5.2 +/- 0.4 µM PMID: 21599020
ZINC66112511 agonist Compound 2 PMID: 21141967
ZINC71281670 agonist theonellesterol F PMID: 21428459
ZINC71281761 agonist theonellesterol C PMID: 21428459 FXR_alpha
ZINC71282148 agonist theonellesterol E PMID: 21428459 FXR_alpha
ZINC71294190 agonist Conicasterol D PMID: 21428459 FXR_alpha
ZINC71294251 agonist Conicasterol B PMID: 21428459 FXR_alpha
ZINC71294416 agonist theonellesterol H PMID: 21428459
ZINC71294448 agonist theonellesterol D PMID: 21428459 FXR_alpha
ZINC71295100 agonist theonellesterol G PMID: 21428459
ZINC71295392 agonist theonellesterol B PMID: 21428459 FXR_alpha
ZINC73385923 agonist conicasterol E PMID: 22126372 FXR_alpha