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P34913 | HYES_HUMAN | Bifunctional epoxide hydrolase 2 (EPHX2)

3D structures mapped by conservation among orthologs

[ Domain: "HAD-like" // HAD_2 ]

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[ Domain: "alpha/beta-Hydrolases" // Hydrolase_4_2 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3327081 OBDepict O N H NH N F F F F F F F O F F F Ki < 0.02 nM 497.33 O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)NC1CCN(C(=O)CC(F)(F)F)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL3327073 OBDepict H 3 C CH 3 N O N H NH O F F F F F F F Ki = 0.02 nM 471.42 CCC(C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL4789214 OBDepict H 3 C O N O N H NH O F O F F F Ki < 0.05 nM 393.34 CCOC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL4752759 OBDepict H 3 C CH 3 H N O N H NH O F O F F F Ki < 0.05 nM 405.39 CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL4756603 OBDepict O N H N H F N O O F F F F F F Ki < 0.05 nM 457.35 O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL4752831 OBDepict O NH NH F N F F F O F F F Ki = 0.08 nM 441.35 O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL4745610 OBDepict O N H N S N NH O N O Cl IC50 = 0.082 nM 550.08 O=C(Cc1ccccc1)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1 Homo sapiens CHEMBL4712087 single protein format
CHEMBL4781218 OBDepict Cl HN N H O N S N NH O N O Cl IC50 = 0.1 nM 585.52 O=C(Nc1ccc(Cl)cc1)Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2s1 Homo sapiens CHEMBL4712087 single protein format
CHEMBL3104615 OBDepict O N N H N O O F F F F F IC50 = 0.125 nM 497.46 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1 Homo sapiens CHEMBL3106763 cell-based format
CHEMBL4748112 OBDepict O N H N H F N O O F F F Ki = 0.15 nM 389.35 O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CC2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL3327078 OBDepict H 3 C CH 3 H N O N H NH O O F F F Ki = 0.19 nM 387.4 CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL2436575 OBDepict O N N H N O O F F F N IC50 = 0.2 nM 498.51 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3cccc4ncccc34)CC2)C1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL2436573 OBDepict OH F N O N N H O O F F F IC50 = 0.2 nM 481.45 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3cc(O)ccc3F)CC2)C1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL2436579 OBDepict O N N H N O O F F F N O IC50 = 0.2 nM 478.47 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3cnoc3C3CC3)CC2)C1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL4781745 OBDepict O HN N H N F F F O O CH 3 Ki = 0.22 nM 395.38 Cc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL3327067 OBDepict CH 3 H 3 C H N O N H HN O F F F Ki = 0.22 nM 371.4 CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL3325465 OBDepict H 3 C CH 3 N O N H N H O H H CH 3 Ki = 0.23 nM 337.51 CCC(C)C(=O)N1CCC(NC(=O)N[C@H]2CC[C@H](CC)CC2)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL4759847 OBDepict O N HN N S Br N F NH 2 O IC50 = 0.25 nM 494.39 Nc1nc2ccc(N(CCN3CCOCC3)C(=O)Nc3ccc(F)c(Br)c3)cc2s1 Homo sapiens CHEMBL4712087 single protein format
CHEMBL4764213 OBDepict O HN N H N O O F F F O CH 3 Ki = 0.26 nM 411.38 Cc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL2436563 OBDepict O N N H N F F F O F F IC50 = 0.3 nM 467.44 O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL2436591 OBDepict H 3 C N O CH 3 N N H O O F F F IC50 = 0.3 nM 441.49 CCC(CC)C(=O)N1CCC2(CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)CC1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL2436586 OBDepict O N NH N O O F F F F F F IC50 = 0.3 nM 479.42 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)C3(C(F)(F)F)CC3)CC2)C1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL2436574 OBDepict O N N H N O O F F F Cl IC50 = 0.3 nM 481.9 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3ccccc3Cl)CC2)C1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL4743434 OBDepict O N H HN F N O O F F F H 3 C CH 3 Ki = 0.31 nM 391.37 CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL3327077 OBDepict O N H HN N O O F F F H 3 C CH 3 Ki = 0.31 nM 373.38 CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL4752121 OBDepict O HN N H N O O F F F O Ki = 0.33 nM 397.35 O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)c2ccoc2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL3327074 OBDepict CH 3 H 3 C N O N H HN O O F F F Ki = 0.36 nM 387.4 CCC(C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL4741174 OBDepict H 3 C CH 3 H N O N H NH O F F F F Ki = 0.37 nM 389.39 CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL3327066 OBDepict H 3 C CH 3 N O N H NH O F F F Ki = 0.37 nM 371.4 CCC(C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL4780369 OBDepict H 3 C O N O N H NH O F F F F Ki = 0.38 nM 377.34 CCOC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL4756077 OBDepict O N H N H F N F F F O Ki = 0.38 nM 373.35 O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CC2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL1818385 OBDepict O HN NH F F F IC50 = 0.4 nM 324.35 O=C(Nc1ccc(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL1819920 single protein format
CHEMBL1818404 OBDepict O N H NH Cl CH 3 IC50 = 0.4 nM 294.83 Cc1ccc(NC(=O)NC2CCCCCCC2)cc1Cl Homo sapiens CHEMBL1819920 single protein format
CHEMBL2436564 OBDepict O N N H N O O F F F F F IC50 = 0.4 nM 483.44 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL2436577 OBDepict O N N H N O O F F F N N CH 3 IC50 = 0.4 nM 463.46 Cc1cnc(C(=O)N2CCC3(CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)CC2)cn1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL2436578 OBDepict O N N H N O O F F F N O CH 3 IC50 = 0.4 nM 452.43 Cc1cc(C(=O)N2CCC3(CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)CC2)no1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL2436593 OBDepict OH N O N N H O O F F F IC50 = 0.4 nM 491.51 O=C(CCc1cccc(O)c1)N1CCC2(CC1)CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 Homo sapiens CHEMBL2437612 single protein format
CHEMBL1818387 OBDepict CH 3 NH O NH F F F IC50 = 0.4 nM 288.31 CCCCCCCNC(=O)Nc1ccc(F)c(F)c1F Homo sapiens CHEMBL1819920 single protein format
CHEMBL4072536 OBDepict CH 3 O F F F HN O O F IC50 = 0.4 nM 411.4 COc1ccc(CNC(=O)c2ccc(F)c(OC3CCCC3)c2)c(C(F)(F)F)c1 Homo sapiens CHEMBL4049250 single protein format
CHEMBL1818388 OBDepict O N H N H F CH 3 F F CH 3 CH 3 IC50 = 0.4 nM 326.36 CC1C(NC(=O)Nc2ccc(F)c(F)c2F)CC2CC1C2(C)C Homo sapiens CHEMBL1819920 single protein format
CHEMBL1818389 OBDepict O N H N H F F F CH 3 H 3 C IC50 = 0.4 nM 326.36 CC1(C)C2CCC(CNC(=O)Nc3ccc(F)c(F)c3F)C1C2 Homo sapiens CHEMBL1819920 single protein format
CHEMBL3263289 OBDepict O NH N H N H N H O IC50 = 0.4 nM 498.76 O=C(NCCCCCCNC(=O)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL3270578 single protein format
CHEMBL1818390 OBDepict O N H NH F F F IC50 = 0.4 nM 300.32 O=C(Nc1ccc(F)c(F)c1F)NC1CCCCCCC1 Homo sapiens CHEMBL1819920 single protein format
CHEMBL3222130 OBDepict O NH O N N O O CH 3 CH 3 CH 3 IC50 = 0.4 nM 525.73 CC(C)(C)OC(=O)N1CCN(CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1 Homo sapiens CHEMBL3223384 single protein format
CHEMBL1609005 OBDepict O N H HN IC50 = 0.4 nM 276.42 O=C(NC1CCCCC1)NC1C2CC3CC(C2)CC1C3 Homo sapiens CHEMBL1819920 single protein format
CHEMBL3104441 OBDepict O N N H O N O O F F F IC50 = 0.4 nM 503.52 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCOC2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1 Homo sapiens CHEMBL3106763 cell-based format
CHEMBL2313193 OBDepict HO N H O N S O O CH 3 CH 3 IC50 = 0.4 nM 388.49 Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(C)c1 Homo sapiens CHEMBL2318866 single protein format
CHEMBL1818408 OBDepict O N H NH F F F F IC50 = 0.4 nM 332.34 O=C(Nc1cccc(C(F)(F)F)c1F)NC1CCCCCCC1 Homo sapiens CHEMBL1819920 single protein format
CHEMBL1818407 OBDepict CH 3 NH N H O F F F F IC50 = 0.4 nM 320.33 CCCCCCCNC(=O)Nc1cccc(C(F)(F)F)c1F Homo sapiens CHEMBL1819920 single protein format
CHEMBL1818386 OBDepict O NH HN F F F IC50 = 0.4 nM 338.37 O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(F)c1F Homo sapiens CHEMBL1819920 single protein format
CHEMBL4099452 OBDepict CH 3 O F F F NH O O IC50 = 0.4 nM 393.41 COc1ccc(CNC(=O)c2cccc(OC3CCCC3)c2)c(C(F)(F)F)c1 Homo sapiens CHEMBL4049250 single protein format
CHEMBL1818384 OBDepict O NH HN F F F IC50 = 0.4 nM 324.35 O=C(Nc1ccc(F)c(F)c1F)NC1C2CC3CC(C2)CC1C3 Homo sapiens CHEMBL1819920 single protein format
CHEMBL1258785 OBDepict CH 3 N O N H N H O F F F F F F F IC50 = 0.4 nM 443.36 CCC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL1259736 single protein format
CHEMBL4872738 OBDepict O N H NH N O IC50 = 0.4 nM 381.52 O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)NC1C2CC3CC(C2)CC1C3 Homo sapiens CHEMBL4840717 single protein format
CHEMBL4869434 OBDepict O NH N H H 3 C CH 3 N O IC50 = 0.4 nM 409.57 CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)N4CCCCC4)cc1)(C3)C2 Homo sapiens CHEMBL4840717 single protein format
CHEMBL1258558 OBDepict CH 3 N O N H N H O Cl Cl IC50 = 0.4 nM 344.24 CCC(=O)N1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL1259736 single protein format
CHEMBL4750771 OBDepict O NH N H H 3 C H 3 C H 3 C NH NH O H 3 C H 3 C H 3 C IC50 = 0.4 nM 502.79 CC1(C)C2CCC1(C)C(NC(=O)NCCCCCCCCNC(=O)NC1CC3CCC1(C)C3(C)C)C2 Homo sapiens CHEMBL4669321 single protein format
CHEMBL4759033 OBDepict O NH N H NH NH O IC50 = 0.4 nM 418.63 O=C(NCCCCCCCCNC(=O)NC1CC2CCC1C2)NC1CC2CCC1C2 Homo sapiens CHEMBL4669321 single protein format
CHEMBL4786305 OBDepict O NH N H NH N H O IC50 = 0.4 nM 442.65 O=C(NCCCCCCCCCCNC(=O)NC1CC2C=CC1C2)NC1CC2C=CC1C2 Homo sapiens CHEMBL4669321 single protein format
CHEMBL1257759 OBDepict O N H N H N O S O O CH 3 F F F IC50 = 0.4 nM 457.47 Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 Homo sapiens CHEMBL1259736 single protein format
CHEMBL4746902 OBDepict O NH N H O F F F IC50 = 0.4 nM 314.31 O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CC2CCC1C2 Homo sapiens CHEMBL4669321 single protein format
CHEMBL1257405 OBDepict O N H N H N O O F F F IC50 = 0.4 nM 371.36 O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CC2)CC1 Homo sapiens CHEMBL1259736 single protein format
CHEMBL4643551 OBDepict O NH NH H Cl H O O HO IC50 = 0.4 nM 446.98 O=C(NC12CC3CC(CC(Cl)(C3)C1)C2)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1 Homo sapiens CHEMBL4611062 single protein format
CHEMBL1257517 OBDepict O N H NH N O O F F F F F F IC50 = 0.4 nM 399.29 O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C(F)(F)F)CC1 Homo sapiens CHEMBL1259736 single protein format
CHEMBL1817677 OBDepict O N H NH Cl CH 3 IC50 = 0.4 nM 332.88 Cc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1Cl Homo sapiens CHEMBL1819920 single protein format
CHEMBL4454212 OBDepict O N H N H F F F CH 3 CH 3 IC50 = 0.4 nM 338.37 CC12CC3CC1(C)CC3(CNC(=O)Nc1ccc(F)c(F)c1F)C2 Homo sapiens CHEMBL4400282 cell-based format
CHEMBL1257635 OBDepict CH 3 S N O O N H NH O O F F F IC50 = 0.4 nM 395.4 CCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL1259736 single protein format
CHEMBL4641404 OBDepict OH O O H H N O O N O Cl IC50 = 0.4 nM 500.98 O=C(O)c1ccc(O[C@H]2CC[C@H](N3C(=O)C(=O)N(C45CC6CC(CC(Cl)(C6)C4)C5)C3=O)CC2)cc1 Homo sapiens CHEMBL4611060 single protein format
CHEMBL3327069 OBDepict O N H HN N F F F O F F F Ki = 0.43 nM 397.32 O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)CC(F)(F)F)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL3327087 OBDepict CH 3 S N O O N H N H O O F F F Ki = 0.44 nM 423.46 CCCCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL4209184 OBDepict H 3 C O O NH HN O NH O Cl IC50 = 0.48 nM 475.93 CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL4190669 single protein format
CHEMBL4217562 OBDepict H 3 C O O NH HN O NH O H 3 C IC50 = 0.48 nM 455.51 CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(NC(=O)c2ccc(C)cc2)cc1 Homo sapiens CHEMBL4190669 single protein format
CHEMBL3327068 OBDepict H 3 C CH 3 N O N H NH O F F F Ki = 0.49 nM 371.4 CC(C)CC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL4749102 OBDepict O N H HN F N F F F O H 3 C CH 3 Ki = 0.49 nM 375.37 CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL3327065 OBDepict O N H N H N F F F O Ki = 0.49 nM 355.36 O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CC2)CC1 Homo sapiens CHEMBL3361515 single protein format
CHEMBL4749079 OBDepict O NH N H N F F F O N H Ki = 0.5 nM 380.37 O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)c2cc[nH]c2)CC1 Homo sapiens CHEMBL4703203 assay format
CHEMBL2397140 OBDepict CH 3 NH O O H H N H N H O Cl F F F IC50 = 0.5 nM 469.89 CNC(=O)c1ccc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL2392762 OBDepict O NH N H O N Cl H 3 C IC50 = 0.5 nM 309.8 Cc1noc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl Homo sapiens CHEMBL2394377 single protein format
CHEMBL2031812 OBDepict O N H NH O IC50 = 0.5 nM 362.47 O=C(Nc1ccc(Oc2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL2032586 single protein format
CHEMBL2397149 OBDepict CH 3 NH O N O N H NH O O F F F IC50 = 0.5 nM 446.39 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)ccn1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL1818402 OBDepict CH 3 N H NH O IC50 = 0.5 nM 292.47 CCCCCCCNC(=O)NC1C2CC3CC(C2)CC1C3 Homo sapiens CHEMBL1819920 single protein format
CHEMBL374322 OBDepict H N H HN O H O F IC50 = 0.5 nM 386.51 O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 Homo sapiens CHEMBL910697 single protein format
CHEMBL3104442 OBDepict CH 3 O N O O N NH O O F F F IC50 = 0.5 nM 507.51 COc1ccccc1CC(=O)N1CCC2(CC1)CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)CCO2 Homo sapiens CHEMBL3106763 cell-based format
CHEMBL2397136 OBDepict H 3 C N H O N O HN NH O IC50 = 0.5 nM 420.51 CNC(=O)c1cc(Oc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)ccn1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL1818395 OBDepict O N H N H O H 3 C IC50 = 0.5 nM 312.41 CC(=O)c1cccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c1 Homo sapiens CHEMBL1819920 single protein format
CHEMBL2397137 OBDepict CH 3 NH O N O H H N H NH O Cl F F F IC50 = 0.5 nM 470.88 CNC(=O)c1cc(O[C@H]2CC[C@@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL2397142 OBDepict O N H NH H H O Cl F F F N N O CH 3 CH 3 IC50 = 0.5 nM 484.91 CN(C)C(=O)c1cc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL221793 OBDepict H N H N H O H O F IC50 = 0.5 nM 348.46 O=C(NC1CCCCCC1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 Homo sapiens CHEMBL910697 single protein format
CHEMBL2031797 OBDepict O N H NH I IC50 = 0.5 nM 396.27 O=C(Nc1ccc(I)cc1)NC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL2032586 single protein format
CHEMBL2397141 OBDepict CH 3 NH O N O H H N H NH O Cl F F F IC50 = 0.5 nM 470.88 CNC(=O)c1cc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL376647 OBDepict H N H NH O H O F F IC50 = 0.5 nM 418.53 O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1 Homo sapiens CHEMBL910697 single protein format
CHEMBL1946170 OBDepict CH 3 NH O N O F N H NH O Cl F F F IC50 = 0.5 nM 482.82 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL2436587 OBDepict O N N H N O O F F F F F IC50 = 0.5 nM 447.4 O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)C3CC3(F)F)CC2)C1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL2436580 OBDepict O N N H N O O F F F CH 3 O IC50 = 0.5 nM 451.45 Cc1occc1C(=O)N1CCC2(CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)CC1 Homo sapiens CHEMBL2437612 single protein format
CHEMBL2397139 OBDepict H 3 C N H O O H H N H N H O IC50 = 0.5 nM 425.57 CNC(=O)c1ccc(O[C@H]2CC[C@H](NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL2397146 OBDepict CH 3 NH O N O H H N H N H O Cl F F F IC50 = 0.5 nM 470.88 CNC(=O)c1ccc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cn1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL2397147 OBDepict O N H N H H H O Cl F F F O HO IC50 = 0.5 nM 456.85 O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL2397138 OBDepict CH 3 HN O O H H N H HN O O F F F IC50 = 0.5 nM 451.45 CNC(=O)c1ccc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL2397143 OBDepict CH 3 NH O N O H H N H NH O O F F F IC50 = 0.5 nM 452.43 CNC(=O)c1cc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1 Homo sapiens CHEMBL2399731 single protein format
CHEMBL1766288 OBDepict O N H NH O N N F F F S O O NH 2 IC50 = 0.5 nM 559.57 NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccccc2)cc1 Homo sapiens CHEMBL1768321 single protein format