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Q96RI1 | NR1H4_HUMAN | Bile acid receptor (NR1H4)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4159402 OBDepict CH 3 N N H 3 C N H O O N N O H 3 C O IC50 = 0.2 nM 565.67 CC(=O)N1CCC(C[C@@H](c2nc3ccc(C)cc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 Homo sapiens CHEMBL4144794 cell-based format
CHEMBL4165756 OBDepict Cl N N H 3 C N H O O N N O H 3 C O IC50 = 0.8 nM 586.09 CC(=O)N1CCC(C[C@@H](c2nc3ccc(Cl)cc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 Homo sapiens CHEMBL4144794 cell-based format
CHEMBL4176369 OBDepict F N N CH 3 N H O O N N O CH 3 O IC50 = 1.0 nM 569.64 CC(=O)N1CCC(C[C@@H](c2nc3cc(F)ccc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 Homo sapiens CHEMBL4144794 cell-based format
CHEMBL4101903 OBDepict F N N N H O CH 3 H 3 C CH 3 N N N O HO IC50 = 1.0 nM 594.69 CC(C)(C)n1ncc(C(=O)Nc2ccc3cnn(CC4CCN(c5ccc(C(=O)O)cc5)CC4)c3c2)c1-c1ccc(F)cc1 Homo sapiens CHEMBL4009808 cell-based format
CHEMBL1668249 OBDepict O N H N H N F F O F Cl O HO IC50 = 1.0 nM 598.02 O=C(Nc1ccc(OC2(C(=O)O)CC2)cc1F)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21 Homo sapiens CHEMBL1670706 single protein format
CHEMBL1615154 OBDepict O N H N H N F F F F O OH Cl IC50 = 4.0 nM 559.95 O=C(O)c1cc(F)c(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL3264644 OBDepict CH 3 O N N N H O H 3 C S H 3 C N O O O IC50 = 7.5 nM 560.68 COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(-c3ccc(C)cc3)n2)c1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL1668257 OBDepict O N H N H N F F F N N Cl N H N IC50 = 8.0 nM 565.99 O=C(Nc1ccc(-c2nnn[nH]2)cc1F)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21 Homo sapiens CHEMBL1670706 single protein format
CHEMBL1668244 OBDepict O N H N H N F F F F F O OH Cl IC50 = 8.0 nM 591.96 O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(C(F)(F)F)c1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL1668243 OBDepict O N H N H N Cl F F O OH Cl IC50 = 9.0 nM 558.41 O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(Cl)c1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL4241985 OBDepict H 3 C O N H O CH 3 H 3 C CH 3 O HO IC50 = 9.2 nM 341.41 COc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc(CC(=O)O)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL1668259 OBDepict O N H N H N F F F O OH Cl IC50 = 10.0 nM 555.98 O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3ccccc32)c(C(F)(F)F)c1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL1668238 OBDepict O N H N H N F F Cl IC50 = 10.0 nM 486.01 O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21 Homo sapiens CHEMBL1670706 single protein format
CHEMBL3264642 OBDepict H 3 C N N N H O S H 3 C N O O O IC50 = 10.2 nM 580.71 Cc1ccc(-c2nn(Cc3ccc4ccccc4c3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL3264636 OBDepict CH 3 N N HN O Cl S CH 3 N O O O IC50 = 10.4 nM 551.07 Cc1ccc(-c2nn(-c3cccc(Cl)c3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL1642362 OBDepict O N H N H N Cl F Cl IC50 = 13.0 nM 502.46 O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(Cl)cc21 Homo sapiens CHEMBL1647427 single protein format
CHEMBL1668248 OBDepict HO O F N H O N H N F F Cl IC50 = 13.0 nM 570.01 O=C(O)CCc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL3264637 OBDepict CH 3 N N HN O Cl Cl S CH 3 N O O O IC50 = 14.1 nM 585.51 Cc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL3264639 OBDepict H 3 C N N N H O N S S H 3 C N O O O IC50 = 17.7 nM 573.7 Cc1ccc(-c2nn(-c3nc4ccccc4s3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL1478 OBDepict OH O H 3 C H H CH 3 H H H CH 3 H H OH IC50 = 18.3 nM 376.58 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C Homo sapiens CHEMBL3269919 single protein format
CHEMBL3264645 OBDepict H 3 C N N N H O S F F F H 3 C N O O O IC50 = 18.4 nM 598.65 Cc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL1615150 OBDepict O N H N H N H 3 C F F O OH Cl IC50 = 20.0 nM 537.99 Cc1cc(C(=O)O)ccc1NC(=O)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21 Homo sapiens CHEMBL1670706 single protein format
CHEMBL510862 OBDepict H 3 C O O N N H O CH 3 H 3 C F F IC50 = 21.0 nM 424.45 CCOC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21 Homo sapiens CHEMBL1670706 single protein format
CHEMBL3264638 OBDepict H 3 C N N N H O F F F S H 3 C N O O O IC50 = 23.9 nM 584.62 Cc1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL3264635 OBDepict CH 3 N N HN O F S CH 3 N O O O IC50 = 24.3 nM 534.61 Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL4170032 OBDepict H 3 C N N CH 3 N H O O N N O O H 3 C CH 3 IC50 = 35.0 nM 593.73 Cc1ccc2nc([C@H](CC3CCN(C(=O)C(C)C)CC3)N3C(=O)CN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1 Homo sapiens CHEMBL4144793 single protein format
CHEMBL1615152 OBDepict O N H N H N F F F O OH Cl IC50 = 37.0 nM 541.96 O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL4172988 OBDepict O N H 3 C CH 3 N H N N CH 3 O O N O IC50 = 38.0 nM 579.7 CC(C)C(=O)N1CCC(C[C@@H](c2nc3ccccc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 Homo sapiens CHEMBL4144793 single protein format
CHEMBL1668258 OBDepict Cl N N H N H O F F O OH IC50 = 40.0 nM 523.97 O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)ccc32)c(F)c1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL4463196 OBDepict H 3 C N N CH 3 N H O O N N O O H 3 C CH 3 IC50 = 41.0 nM 593.73 Cc1ccc2nc([C@@H](CC3CCN(C(=O)C(C)C)CC3)N3C(=O)CN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1 Homo sapiens CHEMBL4341826 cell-based format
CHEMBL1668239 OBDepict O N H N H H N F H HO F Cl IC50 = 41.0 nM 502.01 O=C(N[C@H]1CC[C@H](O)CC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21 Homo sapiens CHEMBL1670706 single protein format
CHEMBL3264649 OBDepict CH 3 O N N N H O O S CH 3 H 3 C N O O O IC50 = 42.8 nM 576.68 COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(-c3cccc(OC)c3)n2)c1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL466523 OBDepict _ O + N Cl Cl N O O CH 3 H 3 C H 3 C N CH 3 O HO IC50 = 45.0 nM 566.44 Cc1cc(OCc2c(-c3c(Cl)c[n+]([O-])cc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 Homo sapiens CHEMBL980673 single protein format
CHEMBL1367639 OBDepict CH 3 N N HN O S CH 3 N O O O IC50 = 47.0 nM 516.62 Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL3264640 OBDepict H 3 C N N N H O CH 3 H 3 C S CH 3 N O O O IC50 = 49.1 nM 482.61 Cc1ccc(-c2nn(C(C)C)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL1615153 OBDepict O N H N H N F F O OH Cl IC50 = 50.0 nM 523.97 O=C(O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL4569266 OBDepict CH 3 N N H 3 C N H O O N N O O H 3 C H 3 C IC50 = 51.0 nM 593.73 Cc1ccc2c(c1)nc([C@H](CC1CCN(C(=O)C(C)C)CC1)N1C(=O)CN(c3ccc(Oc4ccccc4)cc3)C1=O)n2C Homo sapiens CHEMBL4341825 single protein format
CHEMBL3264641 OBDepict CH 3 N N N H O H 3 C S H 3 C N O O O IC50 = 52.5 nM 496.63 CCCCn1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(-c2ccc(C)cc2)n1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL4756964 OBDepict OH O N N H H 3 C CH 3 H 3 C IC50 = 60.0 nM 272.35 CC(C)(C)c1ccc(-c2cc(CCC(=O)O)n[nH]2)cc1 Homo sapiens CHEMBL4725085 cell-based format
CHEMBL1668247 OBDepict OH O HN O N N F F Cl IC50 = 60.0 nM 552.02 O=C(O)CCc1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL318457 OBDepict Cl O O N H 3 C CH 3 O OH Cl Cl IC50 = 64.0 nM 542.85 CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 Homo sapiens CHEMBL980673 single protein format
CHEMBL1642346 OBDepict O N H N N Cl IC50 = 70.0 nM 450.03 O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21 Homo sapiens CHEMBL1647427 single protein format
CHEMBL4239777 OBDepict OH O NH O H 3 C H 3 C CH 3 IC50 = 76.0 nM 311.38 CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL3264643 OBDepict H 3 C N N N H O S H 3 C N O O O IC50 = 76.9 nM 494.62 Cc1ccc(-c2nn(CC3CC3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL3264650 OBDepict O N H N N CH 3 CH 3 S H 3 C N O O O F F F IC50 = 77.5 nM 536.58 Cc1ccc(NC(=O)c2cn(C(C)C)nc2-c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCOCC1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL4247789 OBDepict OH O H 3 C HN O CH 3 CH 3 CH 3 IC50 = 80.0 nM 325.41 Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1CC(=O)O Homo sapiens CHEMBL4234012 cell-based format
CHEMBL4461640 OBDepict CH 3 N N H 3 C N H O O N O IC50 = 81.0 nM 516.6 Cc1ccc2nc([C@H](Cc3ccccc3)N3C(=O)CN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1 Homo sapiens CHEMBL4341826 cell-based format
CHEMBL1668253 OBDepict O N H N N S N H 3 C F O HO F Cl IC50 = 90.0 nM 545.01 Cc1nc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)sc1C(=O)O Homo sapiens CHEMBL1670706 single protein format
CHEMBL466323 OBDepict H 3 C O N H 3 C O N H 3 C CH 3 O OH Cl Cl N IC50 = 94.0 nM 550.44 Cc1cc(OCc2c(-c3c(Cl)cncc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 Homo sapiens CHEMBL980673 single protein format
CHEMBL4240019 OBDepict OH O N H O CH 3 CH 3 H 3 C IC50 = 102.0 nM 311.38 CC(C)(C)c1ccc(C(=O)Nc2ccccc2CC(=O)O)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL4527193 OBDepict H NH O N N IC50 = 127.0 nM 279.34 c1ccc2cc(-c3noc([C@@H]4CCCCN4)n3)ccc2c1 Homo sapiens CHEMBL4433724 cell-based format
CHEMBL4757629 OBDepict HO O N O N CH 3 H 3 C CH 3 IC50 = 130.0 nM 274.32 CC(C)(C)c1ccc(-c2nnc(CCC(=O)O)o2)cc1 Homo sapiens CHEMBL4725085 cell-based format
CHEMBL3264646 OBDepict HO N N HN O CH 3 S CH 3 N O O O IC50 = 130.3 nM 512.63 Cc1ccc(-c2nn(CCCCO)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL4245789 OBDepict OH O HN O OH CH 3 H 3 C CH 3 IC50 = 140.0 nM 327.38 CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)c(O)c1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL1642354 OBDepict O N H N N Cl IC50 = 150.0 nM 443.98 O=C(Nc1ccccc1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21 Homo sapiens CHEMBL1647427 single protein format
CHEMBL3264648 OBDepict H 3 C O N N N H O CH 3 H 3 C S CH 3 N O O O IC50 = 159.7 nM 498.61 COc1cccc(-c2nn(C(C)C)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL4242447 OBDepict CH 3 O N H O O OH IC50 = 170.0 nM 361.4 COc1ccc(-c2ccccc2)cc1C(=O)Nc1ccc(CC(=O)O)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL466318 OBDepict OH O Cl O O N CH 3 H 3 C Cl S O O CH 3 IC50 = 170.0 nM 586.49 CC(C)c1onc(-c2ccc(S(C)(=O)=O)cc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 Homo sapiens CHEMBL980673 single protein format
CHEMBL4592488 OBDepict H 3 C N N CH 3 N H O O N N O O H 3 C CH 3 IC50 = 180.0 nM 599.78 Cc1ccc2nc([C@H](CC3CCN(C(=O)C(C)C)CC3)N3C(=O)CN(c4ccc(OC5CCCCC5)cc4)C3=O)n(C)c2c1 Homo sapiens CHEMBL4341825 single protein format
CHEMBL4250048 OBDepict OH O NH O H 3 C CH 3 H 3 C IC50 = 190.0 nM 311.38 CC(C)(C)c1cccc(C(=O)Nc2ccc(CC(=O)O)cc2)c1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL3264647 OBDepict CH 3 O N N H 3 C H 3 C N H O S H 3 C N O O O IC50 = 199.4 nM 512.63 COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(C(C)C)n2)c1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL1668254 OBDepict O N H N S N N F O HO F F F F Cl IC50 = 200.0 nM 598.98 O=C(O)c1sc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)nc1C(F)(F)F Homo sapiens CHEMBL1670706 single protein format
CHEMBL1668255 OBDepict O N H N N N F F O OH Cl IC50 = 200.0 nM 524.96 O=C(O)c1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)nc1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL1668261 OBDepict H 3 C O N O N N H 3 C H N H O F F H H O OH IC50 = 210.0 nM 556.61 COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@H](C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)C2CCCCC2)c(OC)n1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL4246250 OBDepict CH 3 O CH 3 H 3 C CH 3 N H O O HO IC50 = 220.0 nM 341.41 COc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)ccc1C(C)(C)C Homo sapiens CHEMBL4234012 cell-based format
CHEMBL511389 OBDepict CH 3 O N CH 3 O N CH 3 H 3 C N O HO Cl H 3 C O IC50 = 235.0 nM 546.02 Cc1cc(OCc2c(-c3c(Cl)ccc(=O)n3C)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 Homo sapiens CHEMBL980673 single protein format
CHEMBL466315 OBDepict CH 3 O N O O CH 3 H 3 C Cl O OH IC50 = 250.0 nM 503.98 COc1ccccc1-c1noc(C(C)C)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 Homo sapiens CHEMBL980673 single protein format
CHEMBL4240221 OBDepict OH O HN O IC50 = 280.0 nM 331.37 O=C(O)Cc1ccc(NC(=O)c2cccc(-c3ccccc3)c2)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL1668262 OBDepict CH 3 O N Cl N N H N H O F F H H O HO IC50 = 290.0 nM 561.03 COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@H](C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)C2CCCCC2)c(Cl)n1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL466887 OBDepict H 3 C O N Cl N O O CH 3 H 3 C CH 3 N CH 3 O HO IC50 = 310.0 nM 546.02 COc1ccc(Cl)c(-c2noc(C(C)C)c2COc2ccc(-c3ccc4c(C(=O)O)cn(C)c4c3)c(C)c2)n1 Homo sapiens CHEMBL980673 single protein format
CHEMBL1668241 OBDepict O N H N N O HO F F Cl IC50 = 320.0 nM 523.97 O=C(O)c1ccccc1NC(=O)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21 Homo sapiens CHEMBL1670706 single protein format
CHEMBL4162312 OBDepict F N N H 3 C N H O O N N O O CH 3 H 3 C IC50 = 340.0 nM 597.69 CC(C)C(=O)N1CCC(C[C@@H](c2nc3cc(F)ccc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 Homo sapiens CHEMBL4144793 single protein format
CHEMBL3264987 OBDepict CH 3 O N N N H O O S H 3 C CH 3 N O O O IC50 = 389.5 nM 528.63 COCCc1nn(Cc2cccc(OC)c2)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL4250128 OBDepict HO O N H O CH 3 CH 3 H 3 C IC50 = 400.0 nM 311.38 CC(C)(C)c1ccc(C(=O)Nc2cccc(CC(=O)O)c2)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL1642358 OBDepict CH 3 O N N HN O Cl IC50 = 450.0 nM 480.05 COc1ccc2nc(-c3ccc(Cl)cc3)n(C(C(=O)NC3CCCCC3)C3CCCCC3)c2c1 Homo sapiens CHEMBL1647427 single protein format
CHEMBL3264988 OBDepict H 3 C N N N O CH 3 H 3 C CH 3 S CH 3 N O O O IC50 = 489.4 nM 496.63 Cc1ccc(-c2nn(C(C)C)cc2C(=O)N(C)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 Homo sapiens CHEMBL3269919 single protein format
CHEMBL4476319 OBDepict H 3 C O O + N O _ O H O O H H 2 C H 3 C H CH 3 H O O CH 3 CH 3 IC50 = 550.0 nM 541.64 C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1Oc1ccc([N+](=O)[O-])cc1OC Homo sapiens CHEMBL4353682 single protein format
CHEMBL4472831 OBDepict CH 3 O O H O O H CH 2 CH 3 H H 3 C H HO OH IC50 = 550.0 nM 456.58 C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@@H]1Oc1ccccc1OC Homo sapiens CHEMBL4353682 single protein format
CHEMBL4466662 OBDepict OH CH 3 H HO H H 3 C H CH 2 O O H O + N O _ O IC50 = 550.0 nM 471.55 C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@@H]1Oc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL4353682 single protein format
CHEMBL4464270 OBDepict HN O N N IC50 = 580.0 nM 279.34 c1ccc2cc(-c3noc(C4CCNCC4)n3)ccc2c1 Homo sapiens CHEMBL4433724 cell-based format
CHEMBL3613417 OBDepict NH 2 Cl Cl O O HO CH 3 CH 3 H 3 C IC50 = 600.0 nM 354.23 CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O Homo sapiens CHEMBL3614606 single protein format
CHEMBL1668240 OBDepict O N H N H H N F H F O HO Cl IC50 = 610.0 nM 530.02 O=C(N[C@H]1CC[C@H](C(=O)O)CC1)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21 Homo sapiens CHEMBL1670706 single protein format
CHEMBL1668251 OBDepict HO O H H N H O N H N F F Cl IC50 = 610.0 nM 544.04 O=C(O)C[C@H]1CC[C@H](NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)CC1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL4074486 OBDepict O N H CH 3 H 3 C CH 3 O OH IC50 = 630.0 nM 325.41 CC(C)(C)c1ccc(C(=O)Nc2ccc(CCC(=O)O)cc2)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL4248237 OBDepict OH O HN O IC50 = 680.0 nM 305.33 O=C(O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL469135 OBDepict Cl O O N H 3 C CH 3 O OH Cl Cl N IC50 = 690.0 nM 543.83 CC(C)c1onc(-c2c(Cl)cncc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 Homo sapiens CHEMBL980673 single protein format
CHEMBL4243351 OBDepict HO O N H O CH 3 CH 3 H 3 C IC50 = 700.0 nM 339.44 CC(C)(C)c1ccc(C(=O)Nc2ccc(CCCC(=O)O)cc2)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL4169187 OBDepict H 3 C N O N H N N CH 3 O O N O IC50 = 740.0 nM 551.65 CC(=O)N1CCC(C[C@@H](c2nc3ccccc3n2C)N2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 Homo sapiens CHEMBL4144793 single protein format
CHEMBL1668245 OBDepict CH 3 O N H O OH O N H N F F Cl IC50 = 740.0 nM 553.99 COc1cc(C(=O)O)ccc1NC(=O)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21 Homo sapiens CHEMBL1670706 single protein format
CHEMBL4453727 OBDepict N N H N N H 3 C O O N CH 3 O IC50 = 781.0 nM 541.61 Cc1ccc2nc([C@H](Cc3ccc(C#N)cc3)N3C(=O)CN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1 Homo sapiens CHEMBL4341826 cell-based format
CHEMBL4535018 OBDepict H 3 C N N CH 3 N H O N N O O H 3 C CH 3 IC50 = 799.0 nM 579.75 Cc1ccc2nc([C@H](CC3CCN(C(=O)C(C)C)CC3)N3CCN(c4ccc(Oc5ccccc5)cc4)C3=O)n(C)c2c1 Homo sapiens CHEMBL4341826 cell-based format
CHEMBL4244598 OBDepict OH O N H O IC50 = 810.0 nM 305.33 O=C(O)Cc1ccc(NC(=O)c2cccc3ccccc23)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL1668252 OBDepict HO O O H H N H O N H N N F F Cl IC50 = 830.0 nM 561.03 O=C(O)CO[C@H]1CC[C@H](NC(=O)[C@H](C2CCCCC2)n2c(-c3ccc(Cl)nc3)nc3cc(F)c(F)cc32)CC1 Homo sapiens CHEMBL1670706 single protein format
CHEMBL4241503 OBDepict OH O NH O IC50 = 850.0 nM 331.37 O=C(O)Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL4748755 OBDepict OH O N N N H 3 C CH 3 H 3 C IC50 = 900.0 nM 273.34 CC(C)(C)c1ccc(-c2cn(CCC(=O)O)nn2)cc1 Homo sapiens CHEMBL4725085 cell-based format
CHEMBL1642350 OBDepict CH 3 H 3 C N N H O N Cl IC50 = 910.0 nM 438.02 CCC(C)CC(C(=O)NC1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21 Homo sapiens CHEMBL1647427 single protein format
CHEMBL4237768 OBDepict OH O H 3 C HN O CH 3 CH 3 CH 3 IC50 = 970.0 nM 325.41 CC(C(=O)O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 Homo sapiens CHEMBL4234012 cell-based format
CHEMBL3264627 OBDepict O HN N N F F F S CH 3 N O O O IC50 = 996.0 nM 494.5 Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 Homo sapiens CHEMBL3269919 single protein format