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Q2M2I8 | AAK1_HUMAN | AP2-associated protein kinase 1 (AAK1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL4085072 OBDepict CH 3 H 3 C H 2 N H 3 C O N IC50 = 0.07 nM 374.53 CC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccccc23)cc1C1CC1 Homo sapiens CHEMBL4022632 assay format
CHEMBL4544854 OBDepict H 3 C CH 3 NH 2 CH 3 O F F N N N IC50 = 0.2 nM 374.44 CC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccnn23)cc1C(F)F Homo sapiens CHEMBL4305771 assay format
CHEMBL4065155 OBDepict CH 3 H 3 C H 2 N H 3 C O N F F N IC50 = 0.23 nM 385.46 CC(C)C[C@](C)(N)COc1ncc(-c2ccnc3ccccc23)cc1C(F)F Homo sapiens CHEMBL4022632 assay format
CHEMBL4534648 OBDepict N O NH 2 H N N H CH 3 CH 3 O H 3 C IC50 = 0.3 nM 352.44 CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C#N)c2)ccn1 Homo sapiens CHEMBL4305771 assay format
CHEMBL4084103 OBDepict CH 3 O NH O N O H 2 N CH 3 CH 3 CH 3 IC50 = 0.32 nM 397.52 COC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C3CC3)c2)ccn1 Homo sapiens CHEMBL4022632 assay format
CHEMBL4062388 OBDepict CH 3 CH 3 NH 2 H O H 3 C N N H O CH 3 IC50 = 0.42 nM 341.46 CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C)c2)ccn1 Homo sapiens CHEMBL4022632 assay format
CHEMBL4092824 OBDepict H 3 C CH 3 H 2 N CH 3 O N F F N CH 3 IC50 = 0.51 nM 349.43 Cc1cc(-c2cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1 Homo sapiens CHEMBL4022632 assay format
CHEMBL4559183 OBDepict CH 3 O HN O N O O NH 2 CH 3 H 3 C CH 3 IC50 = 0.62 nM 399.49 CCOC(=O)Nc1cc2c(cn1)OCc1cc(OC[C@@](C)(N)CC(C)C)ccc1-2 Homo sapiens CHEMBL4305771 assay format
CHEMBL4857123 OBDepict N O N CH 3 H 2 N H O N CH 3 CH 3 H 3 C IC50 = 0.7 nM 364.45 Cc1nccc2c1c(=O)n(C)c1cc(OC[C@@H](N)CC(C)C)c(C#N)cc21 Homo sapiens CHEMBL4829129 single protein format
CHEMBL4073745 OBDepict H 3 C O O H 2 N H N NH CH 3 H 3 C O H 3 C IC50 = 3.0 nM 357.45 COc1cc(-c2ccnc(NC(C)=O)c2)ccc1OC[C@@H](N)CC(C)C Homo sapiens CHEMBL4022632 assay format
CHEMBL4127773 OBDepict CH 3 O N N N N N N O O H 3 C CH 3 IC50 = 3.3 nM 396.45 COc1ncccc1-c1cnn2ccc(N3CCN(C(=O)OC(C)C)CC3)nc12 Homo sapiens CHEMBL4829129 single protein format
CHEMBL4541595 OBDepict H 2 N N N N HN N OH N N N N CH 3 CH 3 IC50 = 3.3 nM 448.54 CC(C)n1nnc(-c2cc(O)cc(Nc3ncnn4ccc(CN5CCC(N)CC5)c34)c2)n1 Homo sapiens CHEMBL4305771 assay format
CHEMBL4525214 OBDepict CH 3 CH 3 NH 2 H N N H N N N H IC50 = 4.0 nM 320.4 CC(C)C[C@@H](N)c1nc2cc(-c3ncnc4[nH]ccc34)ccc2[nH]1 Homo sapiens CHEMBL4305771 assay format
CHEMBL4439128 OBDepict CH 3 O O CH 3 N N H N IC50 = 4.02 nM 355.4 COc1ccc(-c2cnc3[nH]cc(C#Cc4cccnc4)c3c2)cc1OC Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4541962 OBDepict CH 3 O O CH 3 N N N H H O N IC50 = 4.32 nM 374.4 COc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1OC Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4855590 OBDepict O N O CH 3 H 3 C H 3 C CH 3 NH N N N O H 2 N IC50 = 4.8 nM 410.48 CN(CCNc1ccc2ncc(-c3ccc(C(N)=O)cc3)n2n1)C(=O)OC(C)(C)C Homo sapiens CHEMBL4829129 single protein format
CHEMBL4543869 OBDepict N N N H 2 N O O CH 3 H 3 C N CH 3 IC50 = 6.0 nM 337.38 COc1cc2nc(C(N)CC(C)C)nc(C#N)c2cc1-c1cnco1 Homo sapiens CHEMBL4305771 assay format
CHEMBL4571548 OBDepict CH 3 CH 3 S N H O O N H N HN O Ki = 6.2 nM 412.52 CC(C)CS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4534959 OBDepict O N H N N H HN S O O Ki = 6.3 nM 410.5 O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)CC4CC4)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4531680 OBDepict CH 3 N S CH 3 N H O O N H N HN O Ki = 8.2 nM 413.5 CCN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4516665 OBDepict O N H N N H N H S O O Ki = 8.3 nM 396.47 O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4535040 OBDepict O N H N N H HN S O O Ki = 8.5 nM 410.5 O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4452939 OBDepict CH 3 N S N H O O N H N HN O CH 3 Ki = 9.1 nM 427.53 CCN(CC)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4442812 OBDepict CH 3 O O CH 3 N N N H N IC50 = 9.27 nM 356.39 COc1ccc(-c2cnc3[nH]cc(C#Cc4cccnc4)c3n2)cc1OC Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4871177 OBDepict H 3 C O NH O N O H N H H H 3 C CH 3 IC50 = 10.0 nM 343.43 COc1cc(NC(=O)[C@@H]2NCCC[C@@H]2C(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4452360 OBDepict O HN N N H N H S N O O H 3 C CH 3 Ki = 10.0 nM 399.48 CN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4877371 OBDepict H 3 C O N H O N O NH 2 H H 3 C CH 3 IC50 = 12.0 nM 303.36 COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4872886 OBDepict H 3 C CH 3 NH 2 H N H O O O F F N IC50 = 12.0 nM 339.34 CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4552310 OBDepict CH 3 S N H O O N H N HN O Ki = 12.0 nM 398.49 CCCS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4877595 OBDepict CH 3 O N H O N O H 2 N H CH 3 H 3 C IC50 = 13.0 nM 317.39 CCOc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4850768 OBDepict CH 3 O NH O N O NH 2 H IC50 = 13.0 nM 315.37 COc1cc(NC(=O)[C@H](N)C2CCCC2)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4867649 OBDepict CH 3 O N H N N O H H 2 N H CH 3 H 3 C IC50 = 15.0 nM 302.38 COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4877470 OBDepict H H 2 N NH O CH 3 H 3 C N IC50 = 15.0 nM 283.38 CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccncc2)cc1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4845935 OBDepict O N H N H CH 3 CH 3 N IC50 = 17.0 nM 323.44 CC(C)C1CCCNC1C(=O)Nc1ccc(-c2ccncc2)cc1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4874269 OBDepict CH 3 O HN O N O NH 2 H IC50 = 18.0 nM 329.4 COc1cc(NC(=O)[C@H](N)C2CCCCC2)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4483684 OBDepict CH 3 N N N H H O N IC50 = 18.6 nM 328.38 Cc1cccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)c1 Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4870589 OBDepict H 3 C O N H O N O NH 2 H H 3 C CH 3 IC50 = 19.0 nM 303.36 COc1cc(NC(=O)[C@@H](N)CC(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4470026 OBDepict CH 3 N S CH 3 NH O O N H N N H O Ki = 20.0 nM 427.53 CCN(C)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4473140 OBDepict O N H N N H N H S O O F Ki = 22.0 nM 464.52 O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)Cc4ccccc4F)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4542463 OBDepict O N H N N H N H S O O Ki = 22.0 nM 424.53 O=C(Nc1n[nH]c2cc(-c3cccc(CNS(=O)(=O)CC4CC4)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345183 assay format
CHEMBL3102941 OBDepict CH 3 O O CH 3 N N H IC50 = 23.6 nM 330.39 COc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1OC Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4593649 OBDepict O N H N N H NH S O O F Ki = 24.0 nM 464.52 O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)Cc4cccc(F)c4)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4522276 OBDepict H 3 C CH 3 S HN O O N H N N H O Ki = 30.0 nM 426.54 CC(C)CS(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4857865 OBDepict CH 3 CH 3 H H 2 N H N H O O CH 3 O N IC50 = 31.0 nM 303.36 CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4516665 OBDepict O N H N N H N H S O O IC50 = 31.0 nM 396.47 O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345181 assay format
CHEMBL4447403 OBDepict O HN N N H N H S O O F F F Ki = 32.0 nM 466.49 O=C(Nc1n[nH]c2cc(-c3cccc(CNS(=O)(=O)CCC(F)(F)F)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4472438 OBDepict CH 3 N S NH O O N H N N H O H 3 C Ki = 33.0 nM 441.56 CCN(CC)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4876045 OBDepict CH 3 O N H O N O NH 2 H IC50 = 33.0 nM 315.37 COc1cc(NC(=O)[C@H](N)CC2CCC2)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4582326 OBDepict O HN N N H N H S O O F F F Ki = 39.0 nM 452.46 O=C(Nc1n[nH]c2cc(-c3cccc(CNS(=O)(=O)CC(F)(F)F)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4850319 OBDepict CH 3 O HN O N O NH 2 H IC50 = 42.0 nM 323.35 COc1cc(NC(=O)[C@H](N)c2ccccc2)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4845745 OBDepict H 3 C CH 3 NH 2 H N H O F O N IC50 = 43.0 nM 291.33 CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(F)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4561238 OBDepict O HN N N H NH S N O O CH 3 F F F Ki = 44.0 nM 481.5 CN(CC(F)(F)F)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4873626 OBDepict H 3 C O HN O N O H 2 N H IC50 = 45.0 nM 301.35 COc1cc(NC(=O)[C@H](N)CC2CC2)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4860340 OBDepict H 3 C N H H N H O CH 3 CH 3 O H 3 C O N IC50 = 46.0 nM 317.39 CN[C@H](CC(C)C)C(=O)Nc1ccc(-c2cnco2)c(OC)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL535 OBDepict H 3 C N CH 3 HN O H 3 C CH 3 N H O N H F IC50 = 47.4 nM 398.48 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4864738 OBDepict H 3 C CH 3 NH 2 H N H O CH 3 O N IC50 = 48.0 nM 287.36 Cc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4854816 OBDepict CH 3 O N H N N N O H H 2 N H CH 3 H 3 C IC50 = 49.0 nM 303.37 COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cn[nH]n1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4452093 OBDepict O HN N N H N H S O O H 3 C CH 3 IC50 = 54.0 nM 398.49 CC(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345181 assay format
CHEMBL4534571 OBDepict O N H N N H NH S O O F Ki = 59.0 nM 464.52 O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)Cc4ccc(F)cc4)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345183 assay format
CHEMBL4853175 OBDepict CH 3 NH 2 H N H O O H 3 C O N IC50 = 65.0 nM 303.36 CCCC[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4873273 OBDepict H 3 C O N H O N O NH 2 H H 3 C CH 3 IC50 = 69.0 nM 289.34 COc1cc(NC(=O)[C@H](N)C(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4590146 OBDepict O HN N N H NH S O O CH 3 IC50 = 71.0 nM 384.46 CS(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345181 assay format
CHEMBL4857148 OBDepict CH 3 O N H O N O H 2 N H CH 3 CH 3 IC50 = 71.0 nM 317.39 COc1cc(NC(=O)[C@H](N)CCC(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4855163 OBDepict N N H O N O NH 2 H H 3 C CH 3 IC50 = 72.0 nM 298.35 CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(C#N)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4443908 OBDepict H 3 C O N H O N H N O O CH 3 CH 3 IC50 = 72.1 nM 403.44 COc1ccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1 Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4854187 OBDepict H 3 C O NH O N O IC50 = 80.0 nM 300.36 COc1cc(NC(=O)CC2CCCC2)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4875431 OBDepict CH 3 O N H O N O CH 3 H 3 C IC50 = 80.0 nM 288.35 COc1cc(NC(=O)CCC(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4872087 OBDepict NH 2 N H O H 3 C CH 3 O H 3 C O N IC50 = 83.0 nM 317.39 COc1cc(NC(=O)C(CN)CC(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4868996 OBDepict CH 3 O N H O N O H 2 N H H 3 C H 3 C CH 3 IC50 = 85.0 nM 317.39 COc1cc(NC(=O)[C@H](N)CC(C)(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4870048 OBDepict H 3 C O HN O N H 2 N H CH 3 CH 3 IC50 = 85.0 nM 313.4 COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccncc1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4865219 OBDepict H 3 C NH 2 H NH O O H 3 C O N IC50 = 90.0 nM 289.34 CCC[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4846012 OBDepict H 3 C N H O N O NH 2 H H 3 C CH 3 IC50 = 100.0 nM 301.39 CCc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4444527 OBDepict CH 3 O O CH 3 N N N H H O IC50 = 108.0 nM 373.41 COc1ccc(-c2cnc3[nH]cc(NC(=O)c4ccccc4)c3c2)cc1OC Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4865565 OBDepict H 3 C O HN N O N H 2 N H CH 3 CH 3 IC50 = 110.0 nM 314.39 COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnnc1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4873120 OBDepict CH 3 NH 2 H N H O O H 3 C O N IC50 = 120.0 nM 275.31 CC[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4587030 OBDepict O NH N N H N S CH 3 O O CH 3 IC50 = 120.0 nM 384.46 CN(c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1)S(C)(=O)=O Homo sapiens CHEMBL4345181 assay format
CHEMBL4871299 OBDepict H 3 C O N H O N O NH 2 H H 3 C CH 3 IC50 = 127.0 nM 303.36 COc1cc(NC(=O)C[C@@H](N)C(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4454007 OBDepict CH 3 O N H N O O CH 3 CH 3 IC50 = 149.0 nM 384.44 COc1cccc(C#Cc2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)c1 Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4877312 OBDepict CH 3 O N H O N H 2 N NH 2 H H 3 C CH 3 IC50 = 150.0 nM 328.42 COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc(N)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4871551 OBDepict H 3 C CH 3 NH 2 H N H O O O F F F N IC50 = 160.0 nM 357.33 CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)(F)F)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4524476 OBDepict CH 3 O O CH 3 N N N H H O F IC50 = 161.0 nM 391.4 COc1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(F)cc4)c3c2)cc1OC Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4862414 OBDepict H NH 2 N H O H 3 C CH 3 O N IC50 = 170.0 nM 273.34 CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)cc1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4474078 OBDepict CH 3 O O CH 3 N N H O IC50 = 184.0 nM 358.4 COc1ccc(-c2cnc3[nH]cc(C(=O)c4ccccc4)c3c2)cc1OC Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4875628 OBDepict H 3 C O N H S N O NH 2 H H 3 C CH 3 IC50 = 190.0 nM 319.43 COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1cncs1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4535040 OBDepict O N H N N H HN S O O IC50 = 192.0 nM 410.5 O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345187 cell-based format
CHEMBL4461527 OBDepict CH 3 O O CH 3 N N H IC50 = 209.0 nM 354.41 COc1ccc(-c2cnc3[nH]cc(C#Cc4ccccc4)c3c2)cc1OC Homo sapiens CHEMBL4305756 cell-based format
CHEMBL103080 OBDepict O HN N N H N H S O O CH 3 IC50 = 220.0 nM 370.43 CS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345181 assay format
CHEMBL4561278 OBDepict O N H N N H N F F F IC50 = 230.0 nM 382.35 O=C(Nc1c[nH]c2ncc(-c3ccc(C(F)(F)F)cc3)cc12)c1cccnc1 Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4856974 OBDepict CH 3 O N H O N Cl NH 2 H H 3 C CH 3 IC50 = 240.0 nM 347.85 COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc(Cl)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4860241 OBDepict CH 3 NH 2 H N H O O H 3 C O N IC50 = 260.0 nM 303.36 CCCC[C@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL260163 OBDepict O N H N N H HO IC50 = 280.0 nM 293.33 O=C(Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12)C1CC1 Homo sapiens CHEMBL4345181 assay format
CHEMBL4855972 OBDepict H 3 C O HN N O N H 2 N H CH 3 CH 3 IC50 = 290.0 nM 314.39 COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccncn1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL3334981 OBDepict CH 3 O O CH 3 N N N H H O IC50 = 319.0 nM 379.46 COc1ccc(-c2cnc3[nH]cc(NC(=O)C4CCCCC4)c3c2)cc1OC Homo sapiens CHEMBL4305756 cell-based format
CHEMBL4856131 OBDepict H 3 C NH 2 H NH O O H 3 C O N IC50 = 350.0 nM 289.34 CCC[C@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC)c1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4094782 OBDepict O N H N N H HO IC50 = 350.0 nM 293.33 O=C(Nc1n[nH]c2cc(-c3cccc(O)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345181 assay format
CHEMBL4869558 OBDepict H 3 C O NH O N O H N H H H 3 C CH 3 IC50 = 360.0 nM 343.43 COc1cc(NC(=O)[C@H]2NCCC[C@H]2C(C)C)ccc1-c1cnco1 Homo sapiens CHEMBL4829123 single protein format
CHEMBL4472562 OBDepict O N H N N H N H S O O IC50 = 370.0 nM 410.5 O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12)C1CCC1 Homo sapiens CHEMBL4345181 assay format
CHEMBL4531680 OBDepict CH 3 N S CH 3 N H O O N H N HN O IC50 = 375.0 nM 413.5 CCN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Homo sapiens CHEMBL4345187 cell-based format
CHEMBL4593649 OBDepict O N H N N H NH S O O F IC50 = 379.0 nM 464.52 O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)Cc4cccc(F)c4)c3)ccc12)C1CC1 Homo sapiens CHEMBL4345187 cell-based format
CHEMBL4448513 OBDepict CH 3 O O CH 3 N N H N IC50 = 381.0 nM 379.42 COc1ccc(-c2cnc3[nH]cc(C#Cc4cccc(C#N)c4)c3c2)cc1OC Homo sapiens CHEMBL4305756 cell-based format