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Q13882 | PTK6_HUMAN | Protein-tyrosine kinase 6 (PTK6)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "SH2" // SH2 ]

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[ Domain: "SH3" // SH3_1 ]

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[ 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
CHEMBL1836842 OBDepict H N N N N N N H Cl N O CH 3 CH 3 N H IC50 = 2.0 nM 491.0 CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836806 OBDepict O HN N O Cl N H N N N CH 3 N N H IC50 = 3.0 nM 450.89 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(=O)C3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836844 OBDepict H N N N N N N H Cl N O N H CH 3 CH 3 IC50 = 3.0 nM 491.0 CC1(C)CN(C(=O)c2ccc(Nc3nc(C4CC4)cn4c(-c5cn[nH]c5)cnc34)cc2Cl)CCN1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836854 OBDepict H N N N N N N H F N O N H IC50 = 3.0 nM 446.49 O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(F)c1)N1CCNCC1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836863 OBDepict H N N N N N N H F N O CH 3 CH 3 N H IC50 = 3.0 nM 474.54 CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(F)c1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3133821 OBDepict HO N H N N H IC50 = 3.2 nM 275.31 Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL3647967 OBDepict CH 2 HN O H H N N N N H 2 N O IC50 = 3.3 nM 454.53 C=CC(=O)N[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL3887545 single protein format
CHEMBL1873475 OBDepict CH 2 N O H N N N N H 2 N O IC50 = 3.3 nM 440.51 C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 Homo sapiens CHEMBL3887545 single protein format
CHEMBL3133815 OBDepict Br N H NH N + N O _ O IC50 = 4.1 nM 383.2 O=[N+]([O-])c1cccc(Nc2ccnc3[nH]c4ccc(Br)cc4c23)c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL3238103 OBDepict H 3 C O Br N H N N H IC50 = 4.41 nM 368.23 COc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1Br Homo sapiens CHEMBL3241182 single protein format
CHEMBL3133822 OBDepict Cl N H N N H IC50 = 4.7 nM 293.76 Clc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL3133828 OBDepict CH 3 O N H N N H S N O O N H IC50 = 4.8 nM 437.53 COc1cccc(Nc2ccnc3[nH]c4ccc(S(=O)(=O)N5CCNCC5)cc4c23)c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL1836846 OBDepict H N N N N N N H Cl N O H H N H IC50 = 5.0 nM 488.98 O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1C[C@H]2CC[C@@H]1CN2 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3238097 OBDepict _ O + N O N H N N H IC50 = 5.65 nM 304.31 O=[N+]([O-])c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1 Homo sapiens CHEMBL3241182 single protein format
CHEMBL3133825 OBDepict CH 3 O N H N N H S N O O O IC50 = 5.7 nM 438.51 COc1cccc(Nc2ccnc3[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc4c23)c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL1836755 OBDepict H N N N N N N H Cl N O N H IC50 = 6.0 nM 462.95 O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1CCNCC1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836865 OBDepict H N N N N N N H F N O N H CH 3 CH 3 IC50 = 6.0 nM 474.54 CC1(C)CN(C(=O)c2ccc(Nc3nc(C4CC4)cn4c(-c5cn[nH]c5)cnc34)c(F)c2)CCN1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836802 OBDepict CH 3 N N N H N N N H F F F N O HN IC50 = 7.0 nM 470.46 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(C(F)(F)F)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836867 OBDepict CH 3 N N N H N N N Cl H N O HN IC50 = 7.0 nM 436.91 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836840 OBDepict H 3 C N N NH N N N Cl H N O H H NH IC50 = 7.0 nM 462.95 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN4)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3133818 OBDepict H 2 N N H N N H O CH 3 IC50 = 7.6 nM 316.36 CC(=O)c1ccc2[nH]c3nccc(Nc4cccc(N)c4)c3c2c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL1836805 OBDepict H 3 C N N O Cl N H N N N CH 3 N N H IC50 = 8.0 nM 450.93 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836810 OBDepict CH 3 N N N H N N N Cl H N O O IC50 = 8.0 nM 437.89 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836862 OBDepict CH 3 N N N H N F N N H N O CH 3 CH 3 HN IC50 = 9.0 nM 448.51 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)cc2F)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl IC50 = 9.0 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3133830 OBDepict OH N N S O O N H N H N O H 3 C IC50 = 9.2 nM 481.58 COc1cccc(Nc2ccnc3[nH]c4ccc(S(=O)(=O)N5CCN(CCO)CC5)cc4c23)c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL1836864 OBDepict CH 3 N N N H N F N N H N O HN CH 3 H 3 C IC50 = 10.0 nM 448.51 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)cc2F)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836853 OBDepict CH 3 N N N H N F N N H N O HN IC50 = 10.0 nM 420.45 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)cc2F)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836847 OBDepict H N N N N N N H Cl N O H N H H IC50 = 10.0 nM 488.98 O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1C[C@@H]2CC[C@H](C1)N2 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836843 OBDepict H N N N N N N H Cl N O N H IC50 = 10.0 nM 488.98 O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1CCNCC12CC2 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836815 OBDepict CH 3 N N N H N N N Cl H N O CH 3 CH 3 HN IC50 = 10.0 nM 464.96 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836799 OBDepict HO N S N H N N N CH 3 N N H IC50 = 10.0 nM 409.52 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836760 OBDepict H 3 C O S N H N O N N N CH 3 H 3 C N N H IC50 = 10.0 nM 465.58 CCOc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sc1C(=O)N1CCCC(C)C1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836754 OBDepict H 3 C N N N H N N N Cl H N O N H IC50 = 10.0 nM 450.93 CCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836841 OBDepict H 3 C N N NH N N N Cl H N O H HN H IC50 = 11.0 nM 462.95 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836796 OBDepict CH 3 N N HN N N N N N H NH IC50 = 11.0 nM 375.44 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccnc(N3CCNCC3)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836761 OBDepict CH 3 N N N H N S N N N H N O H 3 C CH 3 IC50 = 12.0 nM 368.43 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(=O)N(C)C)ns2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3133819 OBDepict Cl N H N N H O CH 3 IC50 = 13.0 nM 335.79 CC(=O)c1ccc2[nH]c3nccc(Nc4cccc(Cl)c4)c3c2c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL1739550 OBDepict CH 3 N N N H N S N N N H N IC50 = 13.0 nM 394.51 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836845 OBDepict H N N N N N N H Cl N O N H IC50 = 13.0 nM 488.98 O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1CCNC2(CC2)C1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3133814 OBDepict Cl N H N N H Br IC50 = 13.0 nM 372.65 Clc1cccc(Nc2ccnc3[nH]c4ccc(Br)cc4c23)c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL1836800 OBDepict CH 3 N N N H N N N H N O N H IC50 = 15.0 nM 402.46 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)cc2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836837 OBDepict CH 3 N N N H N N N Cl H N O NH IC50 = 16.0 nM 462.95 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC34CC4)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836807 OBDepict CH 3 N O N O Cl N H N N N H 3 C N N H IC50 = 16.0 nM 478.94 CC(=O)N1CCN(C(=O)c2ccc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)cc2Cl)CC1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836838 OBDepict CH 3 N N N H N N N Cl H N O HN CH 3 H 3 C IC50 = 18.0 nM 464.96 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836839 OBDepict CH 3 N N N H N N N Cl H N O N H IC50 = 19.0 nM 462.95 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC4(CC4)C3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3133817 OBDepict H 3 C O N H NH N + N O _ O IC50 = 21.0 nM 346.35 CC(=O)c1ccc2[nH]c3nccc(Nc4cccc([N+](=O)[O-])c4)c3c2c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL1836803 OBDepict CH 3 O N H N O N N N HN CH 3 N N H IC50 = 23.0 nM 432.49 COc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)ccc1C(=O)N1CCNCC1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL4108687 OBDepict O O N H 3 C CH 3 H H N N N H 2 N N H O N F F F IC50 = 24.0 nM 565.56 CC1(C)OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]21 Homo sapiens CHEMBL4727427 single protein format
CHEMBL3133829 OBDepict H 3 C O N H N N H S N O O N H IC50 = 26.0 nM 451.55 CCOc1cccc(Nc2ccnc3[nH]c4ccc(S(=O)(=O)N5CCNCC5)cc4c23)c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL1836861 OBDepict H N N N N N N H F N O O IC50 = 30.0 nM 447.47 O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(F)c1)N1CCOCC1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836801 OBDepict CH 3 N N N H N N N F H N O HN IC50 = 32.0 nM 420.45 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(F)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836814 OBDepict H N N N N CH 3 N N H Cl N O N H IC50 = 34.0 nM 450.93 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCCNCC3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836804 OBDepict CH 3 N N N H N N N H N O N H IC50 = 38.0 nM 442.53 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(C3CC3)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3238096 OBDepict H N N HN O IC50 = 40.7 nM 365.44 c1ccc(COc2cccc(Nc3ccnc4[nH]c5ccccc5c34)c2)cc1 Homo sapiens CHEMBL3241182 single protein format
CHEMBL4106978 OBDepict O N H H N N N H 2 N HN O N F F F IC50 = 42.0 nM 535.53 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL4727427 single protein format
CHEMBL3238091 OBDepict H N N HN IC50 = 43.5 nM 311.39 C1=CCc2cc(Nc3ccnc4[nH]c5ccccc5c34)ccc2C1 Homo sapiens CHEMBL3241182 single protein format
CHEMBL4077588 OBDepict F N HN O N H 2 N N N H N F F F O IC50 = 48.0 nM 583.59 Nc1nccn2c([C@@H]3CCCN(C4CCOCC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL4057968 single protein format
CHEMBL4749037 OBDepict O O N H H N N N H 2 N HN O N F F F IC50 = 50.0 nM 537.5 Nc1nccn2c([C@@H]3CC[C@H]4COC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL4727427 single protein format
CHEMBL1836748 OBDepict CH 3 N N N H N S Cl N O HN IC50 = 51.0 nM 452.97 Cc1cn2c(-c3ccsc3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3238102 OBDepict Cl HN Cl N N H IC50 = 53.4 nM 328.2 Clc1cc(Cl)cc(Nc2ccnc3[nH]c4ccccc4c23)c1 Homo sapiens CHEMBL3241182 single protein format
CHEMBL3133827 OBDepict H N N N H S N O O O O IC50 = 55.0 nM 514.61 O=S(=O)(c1ccc2[nH]c3nccc(Nc4cccc(OCc5ccccc5)c4)c3c2c1)N1CCOCC1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL3238092 OBDepict H N N NH F F F IC50 = 59.4 nM 327.31 FC(F)(F)c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1 Homo sapiens CHEMBL3241182 single protein format
CHEMBL1836813 OBDepict CH 3 O N O Cl N H N N N CH 3 N N H IC50 = 60.0 nM 465.95 COC1CCN(C(=O)c2ccc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)cc2Cl)CC1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL4076024 OBDepict CH 3 O N O H N N N H 2 N F N H O N F F F IC50 = 60.0 nM 571.54 COCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057968 single protein format
CHEMBL4103954 OBDepict O N H CH 3 H N N N H 2 N F HN O N F F F IC50 = 60.0 nM 581.57 C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1CC1 Homo sapiens CHEMBL4717047 single protein format
CHEMBL2011291 OBDepict F N NH 2 N N Cl Cl Cl IC50 = 61.0 nM 433.7 Nc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl Homo sapiens CHEMBL3888884 cell-based format
CHEMBL1836850 OBDepict H N N N N N N H Cl N O N H IC50 = 63.0 nM 462.95 O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(Cl)c1)N1CCNCC1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL4799627 OBDepict O N CH 3 O H N N N NH 2 F N H O N F F F IC50 = 63.0 nM 597.57 CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1 Homo sapiens CHEMBL4717047 single protein format
CHEMBL1836849 OBDepict CH 3 N N N H N Cl N N H N O HN IC50 = 64.0 nM 436.91 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)cc2Cl)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3238101 OBDepict Cl O HN N N H IC50 = 64.5 nM 399.88 Clc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1OCc1ccccc1 Homo sapiens CHEMBL3241182 single protein format
CHEMBL4094125 OBDepict O N CH 3 O H N N N NH 2 N H O N F F F IC50 = 66.0 nM 579.58 CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1 Homo sapiens CHEMBL4717047 single protein format
CHEMBL1836808 OBDepict HO N N O Cl N H N N N CH 3 N N H IC50 = 68.0 nM 480.96 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCN(CCO)CC3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3238100 OBDepict F Cl N H N N H IC50 = 69.5 nM 311.75 Fc1ccc(Nc2ccnc3[nH]c4ccccc4c23)cc1Cl Homo sapiens CHEMBL3241182 single protein format
CHEMBL1836855 OBDepict CH 3 N N N H N F N N H N O O IC50 = 70.0 nM 421.44 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2F)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836812 OBDepict HO N O Cl N H N N N CH 3 N N H IC50 = 72.0 nM 451.92 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL2064666 OBDepict CH 3 O HN N N H N HN Cl H O H H O H 2 N H IC50 = 73.0 nM 539.08 COc1c(Nc2ncc(Cl)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc2c1CC[C@@H](N1CCOCC1)CC2 Homo sapiens CHEMBL2067587 single protein format
CHEMBL1836797 OBDepict CH 3 N N HN N N N N N H NH IC50 = 75.0 nM 375.44 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cncc(N3CCNCC3)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3238099 OBDepict H 3 C Cl N H N N H IC50 = 75.6 nM 307.78 Cc1ccc(Nc2ccnc3[nH]c4ccccc4c23)cc1Cl Homo sapiens CHEMBL3241182 single protein format
CHEMBL4062498 OBDepict CH 3 O N O O H N N N H 2 N F N H O N F F F IC50 = 77.0 nM 573.51 COCC(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057968 single protein format
CHEMBL4114929 OBDepict CH 3 O N N H O N H 2 N N N H N F F F H O IC50 = 84.0 nM 565.56 COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 Homo sapiens CHEMBL4727427 single protein format
CHEMBL1836809 OBDepict CH 3 N N N H N N N Cl H N O IC50 = 93.0 nM 435.92 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836757 OBDepict CH 3 N N N H N N N Cl H O HO IC50 = 97.0 nM 368.78 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)O)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836758 OBDepict Cl N H N O N N N CH 3 HN N N H IC50 = 104.0 nM 436.91 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cl)cc(C(=O)N3CCNCC3)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 111.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261438 single protein format
CHEMBL4060757 OBDepict F N NH O N NH 2 N N H O N F F F O IC50 = 113.0 nM 585.56 Nc1nccn2c([C@H]3CN(C4CCOCC4)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL4057968 single protein format
CHEMBL3335244 OBDepict CH 3 O OH Br Br N N N H H O IC50 = 120.0 nM 441.08 COc1cc(Br)c(Br)c(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O Homo sapiens CHEMBL3381838 single protein format
CHEMBL4798527 OBDepict H 3 C N H N O N NH 2 N N H CH 3 F F F H HO IC50 = 121.0 nM 548.57 Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 Homo sapiens CHEMBL4766150 single protein format
CHEMBL1836848 OBDepict H N N N N N N H Cl N O O IC50 = 124.0 nM 463.93 O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1CCOCC1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3335253 OBDepict CH 3 O OH Br Br N N N H IC50 = 130.0 nM 439.11 CCOc1cc(Br)c(Br)c(/C=N/c2ccc3[nH]cnc3c2)c1O Homo sapiens CHEMBL3381838 single protein format
CHEMBL3238104 OBDepict CH 3 O Br N H N N H IC50 = 154.0 nM 382.26 CCOc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1Br Homo sapiens CHEMBL3241182 single protein format
CHEMBL3238095 OBDepict H 3 C O N H N N H IC50 = 155.0 nM 303.37 CCOc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1 Homo sapiens CHEMBL3241182 single protein format
CHEMBL1836852 OBDepict H N N N N N N H Cl N O O IC50 = 156.0 nM 463.93 O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(Cl)c1)N1CCOCC1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL1836851 OBDepict CH 3 N N N H N Cl N N H N O O IC50 = 156.0 nM 437.89 Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2Cl)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL4075954 OBDepict O N CH 3 H 3 C O H N N N H 2 N F N H O N F F F IC50 = 173.0 nM 571.54 CC(C)C(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057968 single protein format
CHEMBL1836749 OBDepict H 3 C N N N H N S Cl N O NH IC50 = 177.0 nM 452.97 Cc1cn2c(-c3cccs3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1 Homo sapiens CHEMBL1839617 single protein format
CHEMBL3133834 OBDepict CH 3 O N H N N H Br IC50 = 186.0 nM 368.23 COc1cccc(Nc2ccnc3[nH]c4ccc(Br)cc4c23)c1 Homo sapiens CHEMBL3134836 cell-based format
CHEMBL3238098 OBDepict H 3 C O N H N N H IC50 = 190.0 nM 289.34 COc1ccc(Nc2ccnc3[nH]c4ccccc4c23)cc1 Homo sapiens CHEMBL3241182 single protein format
CHEMBL1983268 OBDepict H 3 C N N NH HN O N O N H F F IC50 = 195.0 nM 560.65 CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1 Homo sapiens CHEMBL3807417 single protein format
CHEMBL3335250 OBDepict CH 3 O OH Br Br N N N H IC50 = 200.0 nM 425.08 COc1cc(Br)c(Br)c(/C=N/c2ccc3[nH]cnc3c2)c1O Homo sapiens CHEMBL3381838 single protein format