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O96013 | PAK4_HUMAN | Serine/threonine-protein kinase PAK 4 (PAK4)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Wiscott-Aldrich syndrome protein, WASP, C-terminal domain" // PBD ]

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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
CHEMBL3674597 OBDepict H 3 C N CH 3 O H N O CH 3 H 3 C N HN N H N S CH 3 N Ki = 1.6 nM 491.62 Cc1nc(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 1.9 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4012135 assay format
CHEMBL3674593 OBDepict H 3 C N CH 3 O H N O CH 3 H 3 C N HN N H N CH 3 N S Ki = 1.9 nM 491.62 Cc1nc(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)c2ccsc2n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3580667 OBDepict H N N N H N S N N H H H NH 2 Ki = 2.0 nM 353.46 N[C@H]1[C@@H]2CN(c3nc(Nc4cc(C5CC5)[nH]n4)c4sccc4n3)C[C@H]12 Homo sapiens CHEMBL3584536 single protein format
CHEMBL3669583 OBDepict CH 3 N CH 3 HN H N O H 3 C CH 3 N N N H H N S Cl N Ki = 2.8 nM 511.06 CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(Cl)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3669632 OBDepict N N N N H N H N N CH 3 CH 3 N H O H N H 3 C CH 3 Ki = 3.0 nM 495.59 CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2nc(C#N)nc3ccccc23)C1(C)C)c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3128042 OBDepict H 3 C O N H N N N N NH 2 HO Ki = 3.3 nM 406.49 COCCNc1nc2ccc(C#CC3(O)CCCCC3)cc2n1-c1ccnc(N)n1 Homo sapiens CHEMBL3129195 assay format
CHEMBL3664542 OBDepict O N NH H 3 C H 3 C H N H NH N H N S CH 3 N Ki = 3.5 nM 459.58 Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3674598 OBDepict N N N N H N H N N CH 3 CH 3 O O H N H 3 C CH 3 Ki = 3.6 nM 496.58 CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2nc(C#N)nc3ccccc23)C1(C)C)c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3580963 OBDepict H N N N H N N N H H H H 2 N Ki = 4.0 nM 327.44 N[C@H]1CC[C@@H](CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1 Homo sapiens CHEMBL3584416 single protein format
CHEMBL3674599 OBDepict CH 3 N CH 3 O H N O CH 3 H 3 C N N H N H N N S Ki = 5.2 nM 477.59 CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ncnc3sccc23)C1(C)C)c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3674595 OBDepict CH 3 N H 3 C O H N O H 3 C CH 3 N NH N H N N S CH 3 Ki = 5.2 nM 491.62 Cc1cc2c(Nc3[nH]nc4c3CN(C(=O)O[C@H](CN(C)C)c3ccccc3)C4(C)C)ncnc2s1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3355023 OBDepict H 3 C HN N N N N N H 2 N OH CH 3 N O CH 3 IC50 = 5.3 nM 404.43 CCNc1nc2ccc(C#C[C@@](C)(O)c3cc(C)on3)cc2n1-c1ncnc(N)n1 Homo sapiens CHEMBL3379048 single protein format
CHEMBL2064555 OBDepict H 3 C N CH 3 N H H O N N H N N H Ki = 6.0 nM 424.51 CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 Homo sapiens CHEMBL2066923 single protein format
CHEMBL4076860 OBDepict CH 3 H NH N O N N N H N N Cl H Ki = 6.0 nM 425.92 CC[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL3669636 OBDepict CH 3 N CH 3 O H N O CH 3 H 3 C N N H N H N S N Ki = 6.7 nM 477.59 CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ncnc3ccsc23)C1(C)C)c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL4081464 OBDepict Cl N N H N N O N N H HN H CH 3 Ki = 7.0 nM 411.9 C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3ccc(Cl)cc3n2)CCN1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL3128042 OBDepict H 3 C O N H N N N N NH 2 HO IC50 = 7.5 nM 406.49 COCCNc1nc2ccc(C#CC3(O)CCCCC3)cc2n1-c1ccnc(N)n1 Homo sapiens CHEMBL3129187 single protein format
CHEMBL3674600 OBDepict H 3 C N CH 3 O H N O H 3 C H 3 C N NH N H N N F F F Ki = 8.3 nM 489.5 CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ccnc(C(F)(F)F)n2)C1(C)C)c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3674594 OBDepict N N N N H N H N N CH 3 CH 3 O O H N H 3 C CH 3 Ki = 8.8 nM 446.52 CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ccnc(C#N)n2)C1(C)C)c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL4097816 OBDepict Cl N N H N N N O N H NH H CH 3 Ki = 9.0 nM 411.9 C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL494089 OBDepict CH 3 N N N O O H 2 N N N H HN OH H 3 C H 3 C IC50 = 10.0 nM 425.49 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 Homo sapiens CHEMBL1028114 single protein format
CHEMBL4089338 OBDepict Br N N H N N N O N H NH H CH 3 Ki = 11.0 nM 456.35 C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Br)ccc3n2)CCN1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL3669580 OBDepict H 3 C N N H N O CH 3 CH 3 N HN N H N S Cl N Ki = 11.0 nM 537.09 CN1CCN(C(=O)N2Cc3c(n[nH]c3Nc3nc(Cl)nc4ccsc34)C2(C)C)[C@@H](Cc2ccccc2)C1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL4097816 OBDepict Cl N N H N N N O N H NH H CH 3 IC50 = 11.1 nM 411.9 C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1 Homo sapiens CHEMBL4033364 assay format
CHEMBL3580949 OBDepict NH 2 N N N HN S N N H Ki = 12.0 nM 355.47 NC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sccc3n2)CC1 Homo sapiens CHEMBL3584416 single protein format
CHEMBL2064561 OBDepict H 3 C N CH 3 O H N O CH 3 H 3 C N N H N H O Ki = 12.0 nM 447.54 CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)n[nH]c2C1(C)C)c1ccccc1 Homo sapiens CHEMBL2066923 single protein format
CHEMBL2064562 OBDepict CH 3 N CH 3 O H N O H 3 C CH 3 N N N H H O F Ki = 13.0 nM 465.53 CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C)c1ccccc1 Homo sapiens CHEMBL2066923 single protein format
CHEMBL3669579 OBDepict O N HN H 3 C CH 3 N HN N H N S Cl N Ki = 14.0 nM 480.0 CC1(C)c2n[nH]c(Nc3nc(Cl)nc4ccsc34)c2CN1C(=O)NC1CC1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL1198335 OBDepict H 3 C O N H N N NH O IC50 = 14.9 nM 350.42 COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1 Homo sapiens CHEMBL4342899 single protein format
CHEMBL3669631 OBDepict CH 3 N H 3 C N H H N O H 3 C CH 3 N NH N H N N S CH 3 Ki = 15.0 nM 490.64 Cc1cc2c(Nc3[nH]nc4c3CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C4(C)C)ncnc2s1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL4059493 OBDepict F N N H N N N O N H NH H CH 3 Ki = 16.0 nM 395.44 C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(F)ccc3n2)CCN1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL4076708 OBDepict NH 2 N N N N H N N Cl H Ki = 16.0 nM 383.89 NC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CC1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL4064068 OBDepict Cl N N H N N N O N H HN Ki = 16.0 nM 397.87 O=C(c1nc(Nc2cc(C3CC3)[nH]n2)c2cc(Cl)ccc2n1)N1CCNCC1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL3674596 OBDepict CH 3 O N N N H F N H N N CH 3 CH 3 O O H N H 3 C CH 3 Ki = 16.0 nM 483.55 CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL4078441 OBDepict OH N H H O NH O N N H IC50 = 16.0 nM 374.4 O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1cnc[nH]1 Homo sapiens CHEMBL4035580 single protein format
CHEMBL4090101 OBDepict Cl N N H N N N O N H H CH 3 HN Ki = 17.0 nM 411.9 C[C@@H]1CNCCN1C(=O)c1nc(Nc2cc(C3CC3)[nH]n2)c2cc(Cl)ccc2n1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL4101547 OBDepict O N N N NH H CH 3 N H N N H Ki = 17.0 nM 377.45 C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)CCN1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL3669623 OBDepict O N HN CH 3 CH 3 H N H HN N H N S N Ki = 18.0 nM 445.55 CC1(C)c2n[nH]c(Nc3ncnc4ccsc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3669614 OBDepict N N N NH N H N N H 3 C H 3 C N H O H H Ki = 18.0 nM 464.53 CC1(C)c2n[nH]c(Nc3nc(C#N)nc4ccccc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3128043 OBDepict H 3 C N CH 3 N H H N O CH 3 H 3 C N HN N H N S CH 3 N IC50 = 18.7 nM 490.64 Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1 Homo sapiens CHEMBL3611423 single protein format
CHEMBL3669607 OBDepict O N NH H 3 C H 3 C H N H NH N H N CH 3 N S Ki = 20.0 nM 459.58 Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2ccsc2n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3669608 OBDepict O N NH H 3 C H 3 C H N H NH N H N N N CH 3 O Ki = 21.0 nM 488.6 Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(N2CCOCC2)n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3669630 OBDepict CH 3 N CH 3 HN H N O CH 3 H 3 C N N H N H N N S Ki = 22.0 nM 476.61 CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2ncnc3sccc23)C1(C)C)c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL4104099 OBDepict OH N H H O NH O N H IC50 = 22.0 nM 373.41 O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1ccc[nH]1 Homo sapiens CHEMBL4035580 single protein format
CHEMBL3669615 OBDepict O N NH H 3 C H 3 C H N H NH N H N S CH 3 N Ki = 24.0 nM 459.58 Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2sccc2n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3669619 OBDepict O N HN CH 3 CH 3 H N H HN N H N S N F F F Ki = 25.0 nM 513.55 CC1(C)c2n[nH]c(Nc3nc(C(F)(F)F)nc4ccsc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL4160587 OBDepict OH N H H O N H O N N H IC50 = 25.0 nM 450.5 O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C(c1ccccc1)c1ncc[nH]1 Homo sapiens CHEMBL4155717 single protein format
CHEMBL4063425 OBDepict Cl N N H N N N O N H H CH 3 HN Ki = 26.0 nM 411.9 C[C@H]1CNCCN1C(=O)c1nc(Nc2cc(C3CC3)[nH]n2)c2cc(Cl)ccc2n1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL4088781 OBDepict OH N H H O NH O N CH 3 H H 3 C IC50 = 27.0 nM 401.47 Cc1cc(C)c(/C=C2C(=O)Nc3ccc(C(=O)N[C@H](CO)c4ccccc4)cc32)[nH]1 Homo sapiens CHEMBL4035580 single protein format
CHEMBL4077032 OBDepict Cl N N H N N N O N H NH H CH 3 Ki = 28.0 nM 411.9 C[C@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL2064558 OBDepict H 3 C N CH 3 N H H N O CH 3 H 3 C N N H N H O Ki = 30.0 nM 446.56 CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)n[nH]c2C1(C)C)c1ccccc1 Homo sapiens CHEMBL2066923 single protein format
CHEMBL2064565 OBDepict H 3 C N CH 3 O H N O CH 3 H 3 C N N H N H O N Ki = 31.0 nM 448.53 CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C)c1ccccc1 Homo sapiens CHEMBL2066923 single protein format
CHEMBL4164650 OBDepict HO N H H O N H O N N Cl H IC50 = 32.0 nM 484.94 O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C(/c1ncc[nH]1)c1ccccc1Cl Homo sapiens CHEMBL4155717 single protein format
CHEMBL3128052 OBDepict H 2 N N N N N H 3 C N OH CH 3 N O CH 3 Ki = 32.0 nM 375.39 Cc1cc([C@](C)(O)C#Cc2ccc3nc(C)n(-c4ncnc(N)n4)c3c2)no1 Homo sapiens CHEMBL3129195 assay format
CHEMBL4087295 OBDepict Cl N NH N N H N N H N H IC50 = 33.0 nM 453.94 Clc1ccc2nc(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)c2c1 Homo sapiens CHEMBL4012135 assay format
CHEMBL3674609 OBDepict H 3 C N N NH N H N N H 3 C CH 3 N H O H Ki = 34.0 nM 453.55 Cc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@H]2c2ccccc2)C3(C)C)c2ccccc2n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3355024 OBDepict CH 3 N H N N N N N NH 2 HO H 3 C N O H 3 C IC50 = 35.5 nM 390.41 CNc1nc2ccc(C#C[C@@](C)(O)c3cc(C)on3)cc2n1-c1ncnc(N)n1 Homo sapiens CHEMBL3379048 single protein format
CHEMBL4068155 OBDepict CH 3 O N N H N N N O N H NH H CH 3 Ki = 36.0 nM 407.48 COc1ccc2nc(C(=O)N3CCN[C@H](C)C3)nc(Nc3cc(C4CC4)[nH]n3)c2c1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL3128043 OBDepict H 3 C N CH 3 N H H N O CH 3 H 3 C N HN N H N S CH 3 N Ki = 36.0 nM 490.64 Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1 Homo sapiens CHEMBL3131926 single protein format
CHEMBL3669589 OBDepict Cl N N HN N H N N CH 3 CH 3 N H O Ki = 38.0 nM 473.97 CC1(C)c2n[nH]c(Nc3nc(Cl)nc4ccccc34)c2CN1C(=O)NC1CC1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3580962 OBDepict H N N N H N N N H H H H 2 N Ki = 38.0 nM 327.44 N[C@H]1CC[C@H](CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1 Homo sapiens CHEMBL3584416 single protein format
CHEMBL3674603 OBDepict H 3 C O N N N H F N H N N CH 3 CH 3 O O H N H 3 C CH 3 Ki = 39.0 nM 469.52 COc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3669629 OBDepict N N N N H N H N N CH 3 CH 3 N H O H N H 3 C CH 3 Ki = 40.0 nM 445.53 CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2ccnc(C#N)n2)C1(C)C)c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3674607 OBDepict O N HN H 3 C CH 3 H N HN N H N S N Ki = 41.0 nM 445.55 CC1(C)c2n[nH]c(Nc3ncnc4ccsc34)c2CN1C(=O)N[C@H]1CC1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3580968 OBDepict H N N N H N N N H H 3 C H N H Ki = 42.0 nM 359.44 C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2c1 Homo sapiens CHEMBL3584416 single protein format
CHEMBL3580956 OBDepict NH 2 N N N HN O N N H Ki = 45.0 nM 339.4 NC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3occc3n2)CC1 Homo sapiens CHEMBL3584416 single protein format
CHEMBL4093999 OBDepict Cl N N H N N N O N H CH 3 N H Ki = 45.0 nM 371.83 Cc1cc(Nc2nc(C(=O)N3CCNCC3)nc3ccc(Cl)cc23)n[nH]1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL2006765 OBDepict CH 3 HN O N H N N HN N H F F F IC50 = 46.0 nM 392.39 CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 Homo sapiens CHEMBL4007731 single protein format
CHEMBL3639684 OBDepict N N N NH N H N N H 3 C H 3 C N H O H H Ki = 47.0 nM 414.47 CC1(C)c2n[nH]c(Nc3ccnc(C#N)n3)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3580948 OBDepict CH 3 N N N N H N N H Ki = 49.0 nM 348.45 CC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)CC1 Homo sapiens CHEMBL3584536 single protein format
CHEMBL4079783 OBDepict Cl N N H N N N O N H CH 3 N H H CH 3 Ki = 51.0 nM 385.86 Cc1cc(Nc2nc(C(=O)N3CCN[C@H](C)C3)nc3ccc(Cl)cc23)n[nH]1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL4073938 OBDepict OH N H H O F NH O N H IC50 = 54.0 nM 391.4 O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccc(F)cc3)cc2/C1=C/c1ccc[nH]1 Homo sapiens CHEMBL4035580 single protein format
CHEMBL3674611 OBDepict O N NH CH 3 CH 3 N H HN N H N N Ki = 55.0 nM 479.59 CC1(C)c2n[nH]c(Nc3nc(C4CC4)nc4ccccc34)c2CN1C(=O)NC1C[C@H]1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3674608 OBDepict CH 3 N CH 3 HN H N O CH 3 H 3 C N N H N H N O N Ki = 58.0 nM 460.54 CN(C)C[C@@H](NC(=O)N1Cc2c(n[nH]c2Nc2ncnc3ccoc23)C1(C)C)c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3128055 OBDepict CH 3 HN N N N N N H 2 N HO CH 3 CH 3 Ki = 60.0 nM 337.39 CCNc1nc2ccc(C#CC(C)(C)O)cc2n1-c1ncnc(N)n1 Homo sapiens CHEMBL3129195 assay format
CHEMBL4172279 OBDepict HO NH H O N H O N N H O CH 3 IC50 = 61.0 nM 480.52 COc1ccc(/C(=C2/C(=O)Nc3ccc(C(=O)N[C@H](CO)c4ccccc4)cc32)c2ncc[nH]2)cc1 Homo sapiens CHEMBL4155717 single protein format
CHEMBL4175282 OBDepict HO N H H O N H O N N F H IC50 = 63.0 nM 468.49 O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C(/c1ncc[nH]1)c1ccccc1F Homo sapiens CHEMBL4155717 single protein format
CHEMBL2064557 OBDepict H 3 C N N H N O CH 3 CH 3 N HN N H O O Ki = 64.0 nM 564.69 CN1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(Oc5ccccc5)c4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 Homo sapiens CHEMBL2066923 single protein format
CHEMBL3128055 OBDepict CH 3 HN N N N N N H 2 N HO CH 3 CH 3 IC50 = 65.5 nM 337.39 CCNc1nc2ccc(C#CC(C)(C)O)cc2n1-c1ncnc(N)n1 Homo sapiens CHEMBL3379048 single protein format
CHEMBL4171839 OBDepict HO NH H O N H O N N H 3 C H IC50 = 67.0 nM 464.53 Cc1ccccc1/C(=C1/C(=O)Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc21)c1ncc[nH]1 Homo sapiens CHEMBL4155717 single protein format
CHEMBL3664512 OBDepict O N N H CH 3 CH 3 H N H N HN H N O N Ki = 67.0 nM 429.48 CC1(C)c2[nH]nc(Nc3ncnc4ccoc34)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3128050 OBDepict H 2 N N N N N H 3 C N OH Ki = 68.0 nM 348.41 Cc1nc2ccc(C#CC3(O)CCCCC3)cc2n1-c1ncnc(N)n1 Homo sapiens CHEMBL3129195 assay format
CHEMBL2064564 OBDepict CH 3 N H 3 C O H N O H 3 C H 3 C N N N H H O F F Ki = 68.0 nM 483.52 CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3F)n[nH]c2C1(C)C)c1ccccc1 Homo sapiens CHEMBL2066923 single protein format
CHEMBL3979920 OBDepict H 3 C N N N N H O NH F H H NH 2 IC50 = 76.0 nM 344.39 Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1 Homo sapiens CHEMBL3869732 assay format
CHEMBL3669593 OBDepict CH 3 O N N N H N N N H H N HO N H 3 C H 3 C N H O H Ki = 76.0 nM 519.61 COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2CO)n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL4060217 OBDepict NH 2 N N N HN N N Cl H H 3 C CH 3 Ki = 77.0 nM 385.9 CC(C)c1cc(Nc2nc(N3CCC(N)CC3)nc3ccc(Cl)cc23)n[nH]1 Homo sapiens CHEMBL4033368 single protein format
CHEMBL3669606 OBDepict O N N H CH 3 CH 3 N H HN N H N N F F F Ki = 80.0 nM 457.46 CC1(C)c2n[nH]c(Nc3ccnc(C(F)(F)F)n3)c2CN1C(=O)NC1C[C@@H]1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3580960 OBDepict H N N NH N N HN HN Ki = 80.0 nM 313.41 c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCC2CCNCC2)n1 Homo sapiens CHEMBL3584416 single protein format
CHEMBL3674605 OBDepict O N N H 3 C H 3 C H CH 3 N H N N H N H N S N CH 3 Ki = 84.0 nM 466.62 Cc1csc2c(Nc3[nH]nc4c3CN(C(=O)N3C[C@@H]5CCCN5C[C@@H]3C)C4(C)C)ncnc12 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3669584 OBDepict CH 3 O N N N N H Cl N H N N H 3 C CH 3 HN O Ki = 87.0 nM 482.98 CCCOc1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL4174013 OBDepict OH N H H O NH O N N H H 3 C IC50 = 89.0 nM 402.45 CCc1ncc(/C=C2C(=O)Nc3ccc(C(=O)N[C@H](CO)c4ccccc4)cc32)[nH]1 Homo sapiens CHEMBL4155717 single protein format
CHEMBL3674612 OBDepict CH 3 O N N N H N N N H N N N H 3 C H 3 C N H O Ki = 90.0 nM 514.59 COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(N2CCCC2C#N)n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3669592 OBDepict Cl N N N H N N H 3 C CH 3 N H N N H 3 C H 3 C N H O Ki = 90.0 nM 467.97 CN(C)c1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL4089425 OBDepict Cl N NH N N H N H N N H IC50 = 93.0 nM 453.94 Clc1ccc2nc(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1 Homo sapiens CHEMBL4012135 assay format
CHEMBL3674601 OBDepict H 3 C N CH 3 O H N O CH 3 CH 3 N N H N H N F N H 3 C Ki = 93.0 nM 453.52 Cc1ncnc(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)c1F Homo sapiens CHEMBL3705339 single protein format
CHEMBL3669616 OBDepict O N HN CH 3 CH 3 H N H HN N H N N S Ki = 94.0 nM 445.55 CC1(C)c2n[nH]c(Nc3ncnc4sccc34)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL3669612 OBDepict O N NH H 3 C H 3 C H N H NH N H N N N CH 3 H 3 C CH 3 Ki = 96.0 nM 446.56 Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(N(C)C)n1 Homo sapiens CHEMBL3705339 single protein format
CHEMBL2064563 OBDepict CH 3 N H 3 C N H H N O H 3 C H 3 C N N H N H O F Ki = 98.0 nM 464.55 CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3F)n[nH]c2C1(C)C)c1ccccc1 Homo sapiens CHEMBL2066923 single protein format
CHEMBL4091048 OBDepict NH 2 N N N HN N N Cl H CH 3 Ki = 99.0 nM 357.85 Cc1cc(Nc2nc(N3CCC(N)CC3)nc3ccc(Cl)cc23)n[nH]1 Homo sapiens CHEMBL4033368 single protein format