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P11474 | ERR1_HUMAN | Steroid hormone receptor ERR1 (ESRRA)

3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL402491 OBDepict HO O N Cl OH IC50 = 3.3 nM 299.71 Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1Cl Homo sapiens CHEMBL886438 single protein format
CHEMBL250097 OBDepict HO O N Br OH IC50 = 3.6 nM 344.16 Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1Br Homo sapiens CHEMBL886438 single protein format
CHEMBL135 OBDepict OH H H H CH 3 H HO IC50 = 3.6 nM 272.39 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O Homo sapiens CHEMBL886438 single protein format
CHEMBL198411 OBDepict HO N Br OH IC50 = 4.3 nM 316.15 Oc1ccc(-c2cc(Br)c3cc(O)ccc3n2)cc1 Homo sapiens CHEMBL886438 single protein format
CHEMBL4533857 OBDepict N O NH 2 O O H 3 C F F F F F F IC50 = 4.33 nM 444.33 COc1cc(/C=C(C#N)C(N)=O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F Homo sapiens CHEMBL4305574 single protein format
CHEMBL4578651 OBDepict CH 3 O N H O N O O CH 3 F F F F F F IC50 = 4.33 nM 502.41 COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c(OC)c1 Homo sapiens CHEMBL4305574 single protein format
CHEMBL372783 OBDepict HO N Cl OH IC50 = 4.6 nM 271.7 Oc1ccc(-c2cc(Cl)c3cc(O)ccc3n2)cc1 Homo sapiens CHEMBL886438 single protein format
CHEMBL4440692 OBDepict N HN O O O O H 3 C O OH F F F F F F IC50 = 4.67 nM 560.45 COc1cc(/C=C(C#N)C(=O)NCCOCCC(=O)O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F Homo sapiens CHEMBL4305574 single protein format
CHEMBL4170306 OBDepict CH 3 N H N O S O N N F F F Cl IC50 = 5.0 nM 534.99 CN1CCC[C@H]1CN1C(=O)S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O Homo sapiens CHEMBL4131392 single protein format
CHEMBL4514580 OBDepict N O OH O O H 3 C F F F F F F IC50 = 5.67 nM 445.32 COc1cc(/C=C(C#N)C(=O)O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F Homo sapiens CHEMBL4305574 single protein format
CHEMBL4444248 OBDepict N N H O O O H 3 C O OH F F F F F F IC50 = 6.0 nM 544.45 COc1cc(/C=C(C#N)C(=O)NCCCCC(=O)O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F Homo sapiens CHEMBL4305574 single protein format
CHEMBL402492 OBDepict N O N HO OH IC50 = 6.1 nM 290.28 N#Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2 Homo sapiens CHEMBL886438 single protein format
CHEMBL4169272 OBDepict H 3 C O F F F N N S O N O N O IC50 = 8.0 nM 546.57 COc1ccc(Cn2ncc3cc(/C=C4SC(=O)N(CCN5CCOCC5)C4=O)ccc32)c(C(F)(F)F)c1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4161346 OBDepict CH 3 O F F F N N S O N O O HO IC50 = 8.0 nM 559.57 COc1ccc(Cn2ncc3cc(/C=C4SC(=O)N(C5CCC(C(=O)O)CC5)C4=O)ccc32)c(C(F)(F)F)c1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4166492 OBDepict H 3 C NH O S O O N O S O N N F F F Cl IC50 = 8.0 nM 572.97 CC(=O)NS(=O)(=O)CN1C(=O)S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O Homo sapiens CHEMBL4131392 single protein format
CHEMBL4163909 OBDepict CH 3 O F F F N N S O N O O HO IC50 = 9.0 nM 491.45 COc1ccc(Cn2ncc3cc(/C=C4SC(=O)N(CC(=O)O)C4=O)ccc32)c(C(F)(F)F)c1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4159613 OBDepict OH O N O S O N N F F F Cl IC50 = 9.0 nM 495.87 O=C(O)CN1C(=O)S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O Homo sapiens CHEMBL4131392 single protein format
CHEMBL44 OBDepict HO O O OH OH IC50 = 10.0 nM 270.24 O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 Homo sapiens CHEMBL886438 single protein format
CHEMBL4166832 OBDepict OH O N O S O N N F F F Cl IC50 = 12.0 nM 563.99 O=C(O)C1CCC(N2C(=O)S/C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)CC1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4165363 OBDepict Cl F F F N N S O N O N N N H N IC50 = 13.0 nM 519.9 O=C1S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1Cc1nnn[nH]1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4172209 OBDepict HO N N O S O N N F F F Cl IC50 = 15.0 nM 565.02 O=C1S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1C1CCN(CCO)CC1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4172522 OBDepict Cl F F F N N S O N O H HN O IC50 = 15.0 nM 536.96 O=C1S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1C[C@H]1COCCN1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4163054 OBDepict Cl F F F N N S O N O NH IC50 = 16.0 nM 520.96 O=C1S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1C1CCNCC1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4163375 OBDepict Cl F F F N N S O N O N IC50 = 17.0 nM 534.99 O=C1S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1CCN1CCCC1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4173278 OBDepict O HN S N O O CH 3 O S O N N F F F Cl IC50 = 18.0 nM 572.97 CS(=O)(=O)NC(=O)CN1C(=O)S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O Homo sapiens CHEMBL4131392 single protein format
CHEMBL4173757 OBDepict CH 3 N N O S O N N F F F Cl IC50 = 19.0 nM 534.99 CN1CCC(N2C(=O)S/C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)CC1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4177113 OBDepict O HN S N O O NH 2 O S O N N F F F Cl IC50 = 19.0 nM 573.96 NS(=O)(=O)NC(=O)CN1C(=O)S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O Homo sapiens CHEMBL4131392 single protein format
CHEMBL4443118 OBDepict N O O CH 3 O O H 3 C F F F F F F IC50 = 20.33 nM 459.34 COC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c(OC)c1 Homo sapiens CHEMBL4305574 single protein format
CHEMBL2381353 OBDepict H 2 N O N N N H 3 C CH 3 IC50 = 21.0 nM 306.37 CC(C)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL4164196 OBDepict CH 3 N H F H N O S O N N F F F Cl IC50 = 22.0 nM 552.98 CN1CC[C@H](N2C(=O)S/C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)[C@@H](F)C1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL250300 OBDepict CH 2 O N HO OH IC50 = 22.0 nM 291.31 C=Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2 Homo sapiens CHEMBL886438 single protein format
CHEMBL4093786 OBDepict H 3 C O O N N S H 3 C N O N H CH 3 N O CH 3 IC50 = 22.0 nM 547.68 COCCOc1cccc(Cn2nc(C)c3cc(C(=O)N4CCN(c5ccc(C(C)=O)cn5)[C@H](C)C4)sc32)c1 Homo sapiens CHEMBL3997327 cell-based format
CHEMBL4175927 OBDepict CH 3 N H HO H N O S O N N F F F Cl IC50 = 23.0 nM 550.99 CN1CC[C@@H](N2C(=O)S/C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)[C@H](O)C1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4164640 OBDepict OH NH 2 H N O S O N N F F F Cl IC50 = 23.0 nM 510.93 N[C@@H](CO)CN1C(=O)S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O Homo sapiens CHEMBL4131392 single protein format
CHEMBL4174856 OBDepict CH 3 N H F H N O S O N N F F F Cl IC50 = 23.0 nM 552.98 CN1CC[C@@H](N2C(=O)S/C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)[C@H](F)C1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4161594 OBDepict Cl F F F N N S O N O H 2 N H 3 C H IC50 = 24.0 nM 494.93 C[C@H](N)CN1C(=O)S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O Homo sapiens CHEMBL4131392 single protein format
CHEMBL4168072 OBDepict Cl F F F N N S O N O H H OH N H IC50 = 25.0 nM 536.96 O=C1S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1[C@@H]1CCNC[C@H]1O Homo sapiens CHEMBL4131392 single protein format
CHEMBL4171282 OBDepict OH O N O S O N N F F F F F F IC50 = 26.0 nM 529.42 O=C(O)CN1C(=O)S/C(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)C1=O Homo sapiens CHEMBL4131392 single protein format
CHEMBL197667 OBDepict N N OH HO IC50 = 28.0 nM 262.27 N#Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12 Homo sapiens CHEMBL886438 single protein format
CHEMBL4167938 OBDepict OH O N O S O N CH 3 N F F F Cl IC50 = 28.0 nM 509.89 Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(/C=C3SC(=O)N(CC(=O)O)C3=O)cc12 Homo sapiens CHEMBL4131392 single protein format
CHEMBL2326072 OBDepict OH H H H H H 3 C H OH N IC50 = 28.3 nM 493.69 C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc(-n5cccc5)cc4)[C@H]3[C@@H]1CC[C@@H]2O Homo sapiens CHEMBL2330136 single protein format
CHEMBL1671971 OBDepict CH 3 O O S O NH F F F O N IC50 = 33.0 nM 420.37 COc1cc(/C=C2SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F Homo sapiens CHEMBL4305574 single protein format
CHEMBL4171419 OBDepict Cl F F F N N S O N O H H F N H IC50 = 34.0 nM 538.95 O=C1S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1[C@@H]1CCNC[C@H]1F Homo sapiens CHEMBL4131392 single protein format
CHEMBL2381477 OBDepict NH 2 O N N N CH 3 CH 3 IC50 = 41.0 nM 306.37 CC(C)c1ccc(-n2cc(C(=O)c3ccccc3N)nn2)cc1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL4174736 OBDepict Cl F F F N N S O N O N O IC50 = 43.0 nM 550.99 O=C1S/C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1CCN1CCOCC1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4160799 OBDepict CH 3 N H F H N O S O N N F F F Cl IC50 = 45.0 nM 552.98 CN1CC[C@H](N2C(=O)S/C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)[C@H](F)C1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4170236 OBDepict H 3 C O F F F N N S O N O N IC50 = 46.0 nM 530.57 COc1ccc(Cn2ncc3cc(/C=C4SC(=O)N(CCN5CCCC5)C4=O)ccc32)c(C(F)(F)F)c1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL402493 OBDepict CH 3 O N HO OH IC50 = 46.0 nM 293.32 CCc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2 Homo sapiens CHEMBL886438 single protein format
CHEMBL2326074 OBDepict OH H H H H H 3 C H OH O N IC50 = 50.0 nM 495.66 C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc(-c5ccno5)cc4)[C@H]3[C@@H]1CC[C@@H]2O Homo sapiens CHEMBL2330132 cell-based format
CHEMBL2326068 OBDepict HO H H H H CH 3 H OH N N N O O IC50 = 50.0 nM 543.71 C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCc4cn(CC5COc6ccccc6O5)nn4)[C@H]3[C@@H]1CC[C@@H]2O Homo sapiens CHEMBL2330132 cell-based format
CHEMBL250301 OBDepict CH O N HO OH IC50 = 52.0 nM 289.29 C#Cc1c2c(nc3ccc(O)cc13)-c1ccc(O)cc1OC2 Homo sapiens CHEMBL886438 single protein format
CHEMBL198679 OBDepict CH 3 N HO OH IC50 = 52.0 nM 265.31 CCc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12 Homo sapiens CHEMBL886438 single protein format
CHEMBL198089 OBDepict CH 2 N HO OH IC50 = 60.0 nM 263.3 C=Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12 Homo sapiens CHEMBL886438 single protein format
CHEMBL437390 OBDepict N O N HO OH IC50 = 65.0 nM 366.38 N#Cc1ccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)cc1 Homo sapiens CHEMBL886438 single protein format
CHEMBL2381362 OBDepict CH 3 O O N N N O NH 2 IC50 = 72.0 nM 322.32 COC(=O)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL440757 OBDepict CH N OH HO IC50 = 75.0 nM 261.28 C#Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12 Homo sapiens CHEMBL886438 single protein format
CHEMBL398815 OBDepict H 3 C O O N HO OH IC50 = 86.0 nM 371.39 COc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1 Homo sapiens CHEMBL886438 single protein format
CHEMBL2381358 OBDepict H 2 N O N N N CH 3 CH 3 H 3 C IC50 = 94.0 nM 320.4 CC(C)(C)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL250507 OBDepict CH 3 O O N HO OH IC50 = 94.0 nM 371.39 COc1ccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)cc1 Homo sapiens CHEMBL886438 single protein format
CHEMBL2326076 OBDepict H 3 C O O O H H H H H 3 C HO H HO IC50 = 96.5 nM 542.72 CCOC(=O)CC(=O)c1ccc(C#CCCCC[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]32)cc1 Homo sapiens CHEMBL2330136 single protein format
CHEMBL2381363 OBDepict CH 3 O O N N N O NH 2 IC50 = 100.0 nM 336.35 CCOC(=O)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL2326070 OBDepict OH H H H H CH 3 H HO N N N O O HO IC50 = 100.0 nM 555.68 C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCc4cn(-c5cc6ccc(O)cc6oc5=O)nn4)[C@H]3[C@@H]1CC[C@@H]2O Homo sapiens CHEMBL2330132 cell-based format
CHEMBL4798460 OBDepict CH 3 O Cl O HO H 3 C H 3 C CH 3 IC50 = 120.0 nM 318.8 CC(=O)c1ccc(Oc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1 Homo sapiens CHEMBL4715111 assay format
CHEMBL250302 OBDepict OH O N HO Cl IC50 = 144.0 nM 375.81 Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1cccc(Cl)c1 Homo sapiens CHEMBL886438 single protein format
CHEMBL398814 OBDepict N O N OH HO IC50 = 150.0 nM 366.38 N#Cc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1 Homo sapiens CHEMBL886438 single protein format
CHEMBL250505 OBDepict Cl O N HO OH IC50 = 160.0 nM 375.81 Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL886438 single protein format
CHEMBL2381350 OBDepict H 2 N O N N N CH 3 CH 3 IC50 = 160.0 nM 306.37 CC(C)c1ccc(-n2cc(C(=O)c3ccc(N)cc3)nn2)cc1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL2326073 OBDepict OH H H H H CH 3 H OH IC50 = 175.7 nM 478.68 C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc5ccccc5c4)[C@H]3[C@@H]1CC[C@@H]2O Homo sapiens CHEMBL2330136 single protein format
CHEMBL478524 OBDepict CH 3 N N H IC50 = 190.0 nM 332.49 Cc1ccc(-n2cc(CNCC3CCCCC3)c3ccccc32)cc1 Homo sapiens CHEMBL1008241 single protein format
CHEMBL83 OBDepict CH 3 O N CH 3 CH 3 IC50 = 200.0 nM 371.52 CC/C(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Homo sapiens CHEMBL2330132 cell-based format
CHEMBL2381354 OBDepict CH 3 N N N O NH 2 IC50 = 200.0 nM 292.34 CCc1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL2381478 OBDepict NH 2 O N N N CH 3 CH 3 IC50 = 310.0 nM 306.37 CC(C)c1ccc(-n2cc(C(=O)c3cccc(N)c3)nn2)cc1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL250506 OBDepict OH N O F F F HO IC50 = 319.0 nM 409.36 Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL886438 single protein format
CHEMBL4794502 OBDepict CH 3 NH O Cl O Cl IC50 = 340.0 nM 360.24 CCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1 Homo sapiens CHEMBL4715111 assay format
CHEMBL4744735 OBDepict CH 3 HN O Cl O Cl IC50 = 350.0 nM 374.27 CCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1 Homo sapiens CHEMBL4715111 assay format
CHEMBL189753 OBDepict N HN O N S N O O CH 3 F F F F F F F F F IC50 = 370.0 nM 596.43 COc1cc(/C=C(C#N)C(=O)Nc2nnc(C(F)(F)F)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F Homo sapiens CHEMBL827660 single protein format
CHEMBL2381370 OBDepict OH O N N N CH 3 CH 3 IC50 = 390.0 nM 307.35 CC(C)c1ccc(-n2cc(C(=O)c3ccccc3O)nn2)cc1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL186810 OBDepict N NH O N S N O O H 3 C H 3 C F F F F F F IC50 = 400.0 nM 556.49 CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)c(OC)c2)s1 Homo sapiens CHEMBL827660 single protein format
CHEMBL4742675 OBDepict CH 3 N H O O Cl IC50 = 420.0 nM 311.77 CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1 Homo sapiens CHEMBL4715111 assay format
CHEMBL2381357 OBDepict NH 2 O N N N IC50 = 430.0 nM 264.29 Nc1ccccc1C(=O)c1cn(-c2ccccc2)nn1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL187409 OBDepict N NH O N S N O S O H 3 C H 3 C F F F F F F IC50 = 440.0 nM 574.53 COc1cc(/C=C(C#N)C(=O)Nc2nnc(SC)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F Homo sapiens CHEMBL827660 single protein format
CHEMBL4160018 OBDepict O S N O N N N F F F F F F IC50 = 580.0 nM 568.54 O=C1S/C(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)C(=O)N1CCN1CCCC1 Homo sapiens CHEMBL4131392 single protein format
CHEMBL4789350 OBDepict HO H 3 C CH 3 H 3 C O N N CH 3 CH 3 IC50 = 600.0 nM 310.4 Cc1nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc2n1C Homo sapiens CHEMBL4715111 assay format
CHEMBL2326071 OBDepict OH H H H H H 3 C H OH N IC50 = 637.8 nM 525.78 C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCC#Cc4ccc(CN5CCCCC5)cc4)[C@H]3[C@@H]1CC[C@@H]2O Homo sapiens CHEMBL2330136 single protein format
CHEMBL2381359 OBDepict NH 2 O N N N IC50 = 650.0 nM 340.39 Nc1ccccc1C(=O)c1cn(-c2cccc(-c3ccccc3)c2)nn1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL4790878 OBDepict OH CH 3 H 3 C CH 3 O N N H 3 C IC50 = 660.0 nM 372.47 Cn1c(-c2ccccc2)nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc21 Homo sapiens CHEMBL4715111 assay format
CHEMBL4776913 OBDepict O NH S O O N N CH 3 O HO H 3 C H 3 C CH 3 IC50 = 670.0 nM 531.63 Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc21 Homo sapiens CHEMBL4715111 assay format
CHEMBL477498 OBDepict N H N IC50 = 700.0 nM 318.46 c1ccc(-n2cc(CNCC3CCCCC3)c3ccccc32)cc1 Homo sapiens CHEMBL1008241 single protein format
CHEMBL187944 OBDepict N HN O N S N O O CH 3 F F F F F F IC50 = 750.0 nM 528.43 COc1cc(/C=C(C#N)C(=O)Nc2nncs2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F Homo sapiens CHEMBL827660 single protein format
CHEMBL4751434 OBDepict CH 3 NH O Cl O Cl IC50 = 780.0 nM 346.21 CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1 Homo sapiens CHEMBL4715111 assay format
CHEMBL4760865 OBDepict CH 3 O O HO H 3 C H 3 C CH 3 IC50 = 800.0 nM 284.36 CC(=O)c1ccc(Oc2ccc(O)c(C(C)(C)C)c2)cc1 Homo sapiens CHEMBL4715111 assay format
CHEMBL365887 OBDepict N NH O N S N O O H 3 C H 3 C F F F F IC50 = 800.0 nM 506.48 CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(F)ccc3C(F)(F)F)c(OC)c2)s1 Homo sapiens CHEMBL827660 single protein format
CHEMBL2381372 OBDepict CH 3 O N N N H 3 C CH 3 IC50 = 890.0 nM 305.38 Cc1ccccc1C(=O)c1cn(-c2ccc(C(C)C)cc2)nn1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL4789973 OBDepict HO H 3 C CH 3 H 3 C O N N CH 3 O IC50 = 890.0 nM 402.49 Cn1c(COc2ccccc2)nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc21 Homo sapiens CHEMBL4715111 assay format
CHEMBL2381371 OBDepict O N + N N N O _ O CH 3 CH 3 IC50 = 900.0 nM 336.35 CC(C)c1ccc(-n2cc(C(=O)c3ccccc3[N+](=O)[O-])nn2)cc1 Homo sapiens CHEMBL2383097 cell-based format
CHEMBL361308 OBDepict N NH O N S N O O H 3 C H 3 C F F F F IC50 = 920.0 nM 506.48 CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3C(F)(F)F)c(OC)c2)s1 Homo sapiens CHEMBL827660 single protein format
CHEMBL4783029 OBDepict CH 3 N H O Cl O HO H 3 C H 3 C CH 3 IC50 = 1000.0 nM 333.82 CC(=O)Nc1ccc(Oc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1 Homo sapiens CHEMBL4715111 assay format