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P32245 | MC4R_HUMAN | Melanocortin receptor 4 (MC4R)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 0.21 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121484 single protein format
CHEMBL398929 OBDepict H 3 C O F HN N N O H N H CH 3 H 3 C Cl Ki = 0.5 nM 585.21 COc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1F Homo sapiens CHEMBL942952 cell-based format
CHEMBL334457 OBDepict O NH H NH H N O Cl N N N IC50 = 0.5 nM 589.18 O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@@H]1Cc2ccccc2CN1 Homo sapiens CHEMBL712747 cell-based format
CHEMBL205996 OBDepict CH 3 O Br F N O N H H 2 N N Ki = 0.58 nM 533.49 COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(N)NCCCCN1CCCCC1 Homo sapiens CHEMBL868466 assay format
CHEMBL240572 OBDepict CH 3 N H 3 C N H O H H 3 C H 3 C N H 3 C N O H 3 C H H 3 C Cl Ki = 0.6 nM 541.18 Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3C)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 Homo sapiens CHEMBL900799 cell-based format
CHEMBL1762009 OBDepict Cl N H H N O N O H CH 3 HN H H 3 C NH O H 3 C CH 3 H 3 C IC50 = 0.78 nM 588.24 C[C@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 Homo sapiens CHEMBL1764412 cell-based format
CHEMBL236014 OBDepict H 2 N HN O H N O Cl N Cl F NH 2 H CH 3 H 3 C Ki = 0.8 nM 552.52 CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 Homo sapiens CHEMBL898343 cell-based format
CHEMBL467587 OBDepict CH 3 O Cl H 3 C H N O N N H H Cl CH 3 H 3 C O NH 2 H 3 C H Ki = 0.8 nM 549.54 COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)[C@@H](C)N)C(C)C)CC1 Homo sapiens CHEMBL973312 cell-based format
CHEMBL383117 OBDepict CH 3 N H 3 C N H 3 C NH H 2 N O Cl O Br CH 3 Ki = 0.83 nM 551.96 CCN(CC)CCCC(C)/N=C(/N)NC(=O)c1cccc(Cl)c1CCc1cc(Br)ccc1OC Homo sapiens CHEMBL868466 assay format
CHEMBL1209787 OBDepict N CH 3 H 3 C H O CH 3 N Cl O H N H H 3 C CH 3 H 3 C F F IC50 = 0.9 nM 570.12 Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N Homo sapiens CHEMBL1211981 cell-based format
CHEMBL233559 OBDepict H 3 C O O N H N N N N O CH 3 H 3 C CH 3 H 3 C Ki = 0.9 nM 575.8 COC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL393576 OBDepict H 2 N N H H N H 3 C CH 3 F N O N H O Cl Cl Ki = 0.94 nM 592.59 CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 Homo sapiens CHEMBL899759 single protein format
CHEMBL237578 OBDepict H 2 N N H H N H 3 C CH 3 N O N H O Cl Cl Ki = 0.95 nM 588.62 CC(C)C[C@H](NCCCN)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 Homo sapiens CHEMBL899759 single protein format
CHEMBL392092 OBDepict CH 3 O O N N N N O CH 3 H 3 C H 3 C CH 3 Ki = 0.96 nM 560.78 COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL467586 OBDepict H 3 C N H N H O H CH 3 H 3 C N Cl N O H 3 C H O CH 3 Cl Ki = 1.1 nM 549.54 CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C Homo sapiens CHEMBL973312 cell-based format
CHEMBL339053 OBDepict O NH H NH H N O Cl N N N IC50 = 1.2 nM 589.18 O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 Homo sapiens CHEMBL712747 cell-based format
CHEMBL373821 OBDepict O N H H N IC50 = 1.2 nM 334.46 O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Homo sapiens CHEMBL908722 cell-based format
CHEMBL138901 OBDepict O NH H NH H N O Cl N N N IC50 = 1.2 nM 589.18 O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1CCc2ccccc2N1 Homo sapiens CHEMBL713795 cell-based format
CHEMBL468636 OBDepict H 3 C O Cl CH 3 H N O N NH H Cl H 3 C H 3 C O HN Ki = 1.3 nM 561.55 COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)C2CNC2)C(C)C)CC1 Homo sapiens CHEMBL973312 cell-based format
CHEMBL443396 OBDepict H 3 C N H O N H O N H O N H 2 N H NH NH H 2 N F Ki = 1.4 nM 574.66 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccc(F)cc2)[C@@H](C/C=N/NC(=N)N)C1=O Homo sapiens CHEMBL1027398 cell-based format
CHEMBL487044 OBDepict CH 3 N H HN O H N O Cl N Cl NH 2 H 3 C CH 3 Ki = 1.7 nM 534.53 CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(N)CC(C)C)CC1 Homo sapiens CHEMBL973601 single protein format
CHEMBL363576 OBDepict H 3 C NH N H O H N O Cl N Cl NH S Ki = 1.7 nM 588.6 CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 Homo sapiens CHEMBL839716 cell-based format
CHEMBL236424 OBDepict NH 2 NH O H N O Cl N Cl H 2 N H F F F H 3 C CH 3 Ki = 1.8 nM 588.5 CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1 Homo sapiens CHEMBL898343 cell-based format
CHEMBL365597 OBDepict H 2 N N H O H N O Cl N Cl NH S Ki = 1.8 nM 588.61 NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 Homo sapiens CHEMBL839716 cell-based format
CHEMBL247010 OBDepict H 3 C O F HN N N O H N H CH 3 H 3 C Cl Ki = 1.8 nM 585.21 COc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)c(F)c1 Homo sapiens CHEMBL942952 cell-based format
CHEMBL236423 OBDepict CH 3 H 3 C H 2 N H N F F F N O N H H O CH 3 Cl Cl Ki = 1.8 nM 573.49 CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 Homo sapiens CHEMBL898343 cell-based format
CHEMBL487043 OBDepict NH 2 HN O H N O Cl N Cl NH 2 CH 3 H 3 C Ki = 2.0 nM 520.51 CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1 Homo sapiens CHEMBL973601 single protein format
CHEMBL233135 OBDepict CH 3 H 3 C N O H 3 C CH 3 N N NH N O CH 3 Ki = 2.0 nM 559.8 CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL194987 OBDepict Cl Cl N H H N O N O CH 3 H 3 C N HN S Ki = 2.0 nM 588.61 CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 Homo sapiens CHEMBL839716 cell-based format
CHEMBL404069 OBDepict NH 2 NH O H CH 3 H 3 C N CH 3 N O H N H O Cl Ki = 2.0 nM 596.22 Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CN)C(C)C)c1 Homo sapiens CHEMBL947013 cell-based format
CHEMBL1209788 OBDepict N CH 3 H 3 C H O CH 3 N Cl O H N H F O F IC50 = 2.0 nM 598.13 Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N Homo sapiens CHEMBL1211981 cell-based format
CHEMBL249271 OBDepict CH 3 O H 3 C NH N N O H N H H 3 C CH 3 Cl Ki = 2.1 nM 595.27 CC(C)Oc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 Homo sapiens CHEMBL942952 cell-based format
CHEMBL395226 OBDepict CH 3 H 3 C N O H 3 C CH 3 N N NH N + N O _ O Ki = 2.2 nM 562.76 CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc([N+](=O)[O-])cc3)n(CCCN3CCCCC3)c2c1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL391056 OBDepict CH 3 N H 3 C N H O H H 3 C H 3 C N H 3 C N O H 3 C H F Cl Ki = 2.2 nM 545.14 Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3F)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 Homo sapiens CHEMBL900799 cell-based format
CHEMBL138878 OBDepict CH 3 O N N O S N H O Cl O N H IC50 = 2.27 nM 527.05 COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CCC(=O)NC3CCCCNC3=O)c2=O)cc1 Homo sapiens CHEMBL713794 cell-based format
CHEMBL236015 OBDepict H 2 N HN O H N O Cl N Cl F NH 2 H CH 3 H 3 C Ki = 2.3 nM 552.52 CC(C)C[C@@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 Homo sapiens CHEMBL898343 cell-based format
CHEMBL195071 OBDepict CH 3 N H O H N O Cl N Cl NH S Ki = 2.4 nM 559.56 CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 Homo sapiens CHEMBL839716 cell-based format
CHEMBL393584 OBDepict H 3 C H 3 C NH H N N O CH 3 N N H 3 C H 3 C O H 3 C H Cl Cl Ki = 2.5 nM 576.61 Cc1ccc([C@@H](CC(C)C)NC(=O)CCN(C)C)c(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1 Homo sapiens CHEMBL900284 cell-based format
CHEMBL233757 OBDepict H 3 C O N H N N N N O CH 3 H 3 C CH 3 H 3 C Ki = 2.7 nM 573.83 CCC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL427860 OBDepict CH 3 N H 3 C N H O H H 3 C CH 3 N H 3 C N O H 3 C H Cl Ki = 2.8 nM 527.15 Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 Homo sapiens CHEMBL900799 cell-based format
CHEMBL205594 OBDepict CH 3 N N N H NH 2 O F O Br H 3 C Ki = 2.8 nM 519.46 CCN1CCC(C/N=C(/N)NC(=O)c2cccc(F)c2CCc2cc(Br)ccc2OC)CC1 Homo sapiens CHEMBL868466 assay format
CHEMBL240571 OBDepict H 3 C N H N H O H CH 3 H 3 C N CH 3 N O H 3 C H F Cl Ki = 2.8 nM 517.09 CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C Homo sapiens CHEMBL900799 cell-based format
CHEMBL1209707 OBDepict OH N CH 3 H 3 C H H N O F F O H CH 3 CH 3 Cl N CH 3 IC50 = 2.8 nM 586.12 Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CN(C(C)(C)CO)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N Homo sapiens CHEMBL1211981 cell-based format
CHEMBL233371 OBDepict CH 3 H 3 C N O H 3 C CH 3 N N S N Ki = 2.9 nM 558.84 CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cc4ccccc4s3)n(CCCN3CCCCC3)c2c1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL521715 OBDepict H 3 C O Cl CH 3 H N O N F N H H H 3 C H 3 C O N H Ki = 3.1 nM 545.1 COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2c(F)cccc2[C@@H](NC(=O)C2CNC2)C(C)C)CC1 Homo sapiens CHEMBL973312 cell-based format
CHEMBL207946 OBDepict H 3 C O Br F N O N H NH 2 N Ki = 3.2 nM 519.46 COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(N)NCCCN1CCCCC1 Homo sapiens CHEMBL868466 assay format
CHEMBL391664 OBDepict H 3 C CH 3 N O CH 3 H 3 C N N N N H 3 C Ki = 3.2 nM 555.81 CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cn(C)c4ccccc34)n(CCCN3CCCCC3)c2c1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL236939 OBDepict CH 3 CH 3 H 2 N H N CH 3 N O N H O Cl Cl Ki = 3.2 nM 545.56 Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@@H](N)CC(C)C)c1 Homo sapiens CHEMBL899759 single protein format
CHEMBL511826 OBDepict NH 2 NH O H N O Cl N Cl H 2 N CH 3 CH 3 Ki = 3.2 nM 534.53 CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1 Homo sapiens CHEMBL973601 single protein format
CHEMBL254757 OBDepict CH 3 NH H O H 3 C Cl N O H N H CH 3 CH 3 H 3 C Cl Cl IC50 = 3.3 nM 593.04 CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL925930 cell-based format
CHEMBL237267 OBDepict H 2 N NH O H N O Cl N Cl F H 2 N H CH 3 CH 3 Ki = 3.3 nM 538.5 CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1 Homo sapiens CHEMBL898343 cell-based format
CHEMBL467588 OBDepict CH 3 N CH 3 HN O H H 3 C CH 3 N Cl N O H 3 C H Cl Ki = 3.3 nM 547.57 CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL973312 cell-based format
CHEMBL233758 OBDepict H 3 C NH O N H N N N N O CH 3 H 3 C CH 3 H 3 C Ki = 3.3 nM 574.81 CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL236839 OBDepict H 2 N NH O H N O Cl N Cl H 2 N H F F F CH 3 CH 3 Ki = 3.3 nM 588.5 CC(C)C[C@H](N)c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1 Homo sapiens CHEMBL898343 cell-based format
CHEMBL467772 OBDepict H 3 C N H N H O H CH 3 H 3 C N F N O H 3 C H O CH 3 Cl Ki = 3.4 nM 533.09 CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C Homo sapiens CHEMBL973312 cell-based format
CHEMBL266647 OBDepict H 3 C H 3 C NH H N O Cl N N H 3 C H 3 C O H 3 C H Cl Ki = 3.4 nM 561.6 CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL900284 cell-based format
CHEMBL400252 OBDepict O NH H HN H N O Cl N N CH 3 CH 3 H 3 C N CH 3 N IC50 = 3.6 nM 592.19 Cn1nnnc1CC1(CC(C)(C)C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 Homo sapiens CHEMBL941902 single protein format
CHEMBL401487 OBDepict CH 3 O NH N N O H N H H 3 C CH 3 Cl Ki = 3.6 nM 567.22 COc1ccc(CNCC2(N3CCN(C(=O)[C@H]4CN(C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 Homo sapiens CHEMBL942952 cell-based format
CHEMBL400456 OBDepict H 3 C CH 3 N N N N H 3 C N O HN H O H N H Cl IC50 = 3.7 nM 578.16 CCC(C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 Homo sapiens CHEMBL941902 single protein format
CHEMBL235556 OBDepict H 3 C H 3 C NH H N O CH 3 N N H 3 C H 3 C O H 3 C H Cl Ki = 3.7 nM 541.18 Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 Homo sapiens CHEMBL900284 cell-based format
CHEMBL232951 OBDepict CH 3 H 3 C N O H 3 C CH 3 N N NH N NH O H 3 C Ki = 3.7 nM 574.81 CC(=O)Nc1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL393204 OBDepict H 3 C N H N H H N H 3 C CH 3 N O N H O Cl Cl Ki = 3.8 nM 588.62 CNCCN[C@@H](CC(C)C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 Homo sapiens CHEMBL899759 single protein format
CHEMBL233372 OBDepict CH 3 H 3 C N O H 3 C CH 3 N N N O CH 3 Ki = 3.9 nM 558.81 CC(=O)c1ccc(Cc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL379423 OBDepict CH 3 N CH 3 N N O HN H O H NH Cl Ki = 4.0 nM 594.24 CCN(CC)CC(C1CCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 Homo sapiens CHEMBL865536 cell-based format
CHEMBL525177 OBDepict CH 3 N H N H O H H 3 C CH 3 N Cl N O CH 3 H Cl Ki = 4.1 nM 519.52 CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C Homo sapiens CHEMBL973312 cell-based format
CHEMBL488710 OBDepict H 3 C CH 3 H 2 N N N O NH H O NH 2 H 3 C H Cl Cl Ki = 4.2 nM 534.53 CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](C)N)CC1 Homo sapiens CHEMBL973601 single protein format
CHEMBL232584 OBDepict CH 3 H 3 C N O H 3 C CH 3 N N NH N N Ki = 4.2 nM 518.75 CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccnc3)n(CCCN3CCCCC3)c2c1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL205468 OBDepict CH 3 N H 3 C N H 3 C NH H 2 N O F O Br CH 3 Ki = 4.3 nM 535.5 CCN(CC)CCCC(C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC Homo sapiens CHEMBL868466 assay format
CHEMBL401466 OBDepict Cl H N H N O H 3 C CH 3 N F NH H CH 3 CH 3 O NH 2 H 3 C H Ki = 4.4 nM 572.17 CC(C)[C@H](NC(=O)[C@@H](C)N)c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL923354 cell-based format
CHEMBL236064 OBDepict H 3 C CH 3 NH 2 H N F F F N O N H O Cl Cl Ki = 4.5 nM 585.5 CC(C)[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 Homo sapiens CHEMBL899931 cell-based format
CHEMBL236940 OBDepict H 3 C CH 3 NH 2 H N F F F N O N H O Cl Cl Ki = 4.5 nM 599.53 CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 Homo sapiens CHEMBL898343 cell-based format
CHEMBL233156 OBDepict H 3 C CH 3 N O CH 3 H 3 C N N HN N O H 3 C Ki = 4.5 nM 559.8 CC(=O)c1cccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)c1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL194393 OBDepict H 3 C O N H O H N O Cl N Cl NH S Ki = 4.6 nM 589.59 CCOC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 Homo sapiens CHEMBL839716 cell-based format
CHEMBL1761871 OBDepict CH 3 H HN N H HN O H 3 C H N O F NH O H 3 C H 3 C CH 3 IC50 = 4.7 nM 599.84 CC[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 Homo sapiens CHEMBL1764412 cell-based format
CHEMBL400932 OBDepict CH 3 N H 3 C HN O H H 3 C CH 3 N H 3 C N O H N H CH 3 H 3 C Cl Ki = 4.7 nM 596.26 Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 Homo sapiens CHEMBL923354 cell-based format
CHEMBL488030 OBDepict CH 3 HN CH 3 H 3 C NH O H N O Cl N Cl NH 2 H 3 C CH 3 Ki = 4.7 nM 562.59 CNC(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(N)CC(C)C)CC1 Homo sapiens CHEMBL973601 single protein format
CHEMBL1761870 OBDepict F N H H N O N O H CH 3 HN H H 3 C NH O H 3 C CH 3 H 3 C IC50 = 4.9 nM 571.78 C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1 Homo sapiens CHEMBL1764412 cell-based format
CHEMBL439020 OBDepict H 3 C CH 3 N O CH 3 H 3 C N N HN N O CH 3 Ki = 4.9 nM 545.77 CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCC2)cc1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL373099 OBDepict CH 3 O N H O H N O Cl N Cl NH S Ki = 5.0 nM 575.56 COC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1 Homo sapiens CHEMBL839716 cell-based format
CHEMBL452710 OBDepict CH 3 H N O N O HN H H N H O O H 3 C N H CH 3 F Ki = 5.0 nM 589.71 CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC Homo sapiens CHEMBL1027398 cell-based format
CHEMBL429943 OBDepict CH 3 O N H N N N N O CH 3 H 3 C CH 3 H 3 C Ki = 5.0 nM 547.79 COc1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL1762008 OBDepict H 3 C H NH N H NH O H 3 C H N O F HN O CH 3 CH 3 CH 3 IC50 = 5.1 nM 599.84 CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1 Homo sapiens CHEMBL1764412 cell-based format
CHEMBL380854 OBDepict CH 3 O Br F N O N H NH 2 N H 3 C Ki = 5.1 nM 569.52 COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(N)NCCCCN(C)Cc1ccccc1 Homo sapiens CHEMBL868466 assay format
CHEMBL395227 OBDepict H 3 C H 3 C N O H 3 C CH 3 N N NH N Ki = 5.2 nM 593.86 CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(-c4ccccc4)cc3)n(CCCN3CCCCC3)c2c1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL215576 OBDepict H 3 C N H O N H O N H O N NH 2 H 2 N F Ki = 5.3 nM 560.67 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](CCCN=C(N)N)C1=O Homo sapiens CHEMBL910341 single protein format
CHEMBL429314 OBDepict Cl H N H N O O N N H CH 3 CH 3 H 3 C CH 3 H 3 C Ki = 5.3 nM 567.22 Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@H](C(C)C)N(C)C)c1 Homo sapiens CHEMBL947013 cell-based format
CHEMBL524443 OBDepict CH 3 N H N H O H H 3 C CH 3 N F N O CH 3 H Cl Cl Ki = 5.3 nM 537.51 CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1)C(C)C Homo sapiens CHEMBL973312 cell-based format
CHEMBL498150 OBDepict H 3 C N NH O H CH 3 H 3 C N Cl N O H 3 C H Cl Ki = 5.4 nM 545.55 CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL973312 cell-based format
CHEMBL396660 OBDepict H 3 C H 3 C N N H H N O Cl N H 2 N H CH 3 CH 3 CH 3 Ki = 5.4 nM 594.29 Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CCN(CC(C)C)CC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1 Homo sapiens CHEMBL899931 cell-based format
CHEMBL248205 OBDepict Cl H N H N O N N H Ki = 5.5 nM 577.26 O=C([C@H]1CN(C2CCCCC2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(CNCc3ccccc3)CCCCC2)CC1 Homo sapiens CHEMBL942952 cell-based format
CHEMBL140077 OBDepict CH 3 O N N O S N H O Cl O IC50 = 5.598 nM 536.05 COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CCC(=O)NCCOc3ccccc3)c2=O)cc1 Homo sapiens CHEMBL713794 cell-based format
CHEMBL211975 OBDepict H 3 C N H O N H O N H O H 2 N H N NH 2 H 2 N Ki = 5.7 nM 557.7 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H](N)Cc2ccccc2)[C@@H](CCCN=C(N)N)C1=O Homo sapiens CHEMBL910341 single protein format
CHEMBL240780 OBDepict H 3 C NH N H O H H 3 C CH 3 N H 3 C N O H 3 C H Cl Ki = 5.7 nM 513.13 CNCCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C Homo sapiens CHEMBL900799 cell-based format
CHEMBL125819 OBDepict CH 3 N H 3 C O H 3 C N N O H N H O Cl IC50 = 5.8 nM 553.15 CCN(C(C)=O)C(C)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)NC2CCC2)Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL713800 single protein format
CHEMBL393903 OBDepict CH 3 H 3 C N O H 3 C CH 3 N N N H N O CH 3 Ki = 5.8 nM 573.83 CC(=O)c1ccc(CNc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCCN2CCCCC2)cc1 Homo sapiens CHEMBL895641 cell-based format
CHEMBL378327 OBDepict CH 3 CH 3 H 2 N H N CH 3 N O H 3 C H CH 3 Cl Ki = 5.9 nM 456.07 Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3C)CC2)c([C@@H](N)CC(C)C)c1 Homo sapiens CHEMBL856320 cell-based format
CHEMBL240364 OBDepict H 2 N N H O H CH 3 H 3 C N CH 3 N O H 3 C H Cl Ki = 5.9 nM 499.1 Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1 Homo sapiens CHEMBL900799 cell-based format
CHEMBL398816 OBDepict CH 3 CH 3 N N N N CH 3 N O N H H O H NH Cl IC50 = 6.0 nM 578.16 CC(C)CC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 Homo sapiens CHEMBL941902 single protein format
CHEMBL429387 OBDepict O NH H H N H H CH 3 N O F NH O H 3 C CH 3 H 3 C IC50 = 6.0 nM 582.8 CN1C[C@@H]2CC[C@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 Homo sapiens CHEMBL831024 cell-based format
CHEMBL240568 OBDepict H 3 C N H N H H CH 3 CH 3 N CH 3 N O CH 3 H F Cl Ki = 6.0 nM 503.11 CNCCN[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C Homo sapiens CHEMBL900799 cell-based format