HOME LIGAND hPROTEOME OTHERS DOCUMENT

P33981 | TTK_HUMAN | Dual specificity protein kinase TTK (TTK)

3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // Mad3_BUB1_I ]

download pymol session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

download pymol session



[ 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
CHEMBL4249882 OBDepict H 3 C O N H N N N N N H 3 C N HN CH 3 CH 3 H H 3 C CH 3 H 3 C Ki = 0.047 nM 460.59 CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N[C@@H](C)C(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL3890427 OBDepict CH 3 O N H N N N N N H 3 C N HN H 3 C CH 3 H 3 C Ki <= 0.07 nM 418.51 COc1cc(-c2nncn2C)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL3911532 OBDepict CH 3 O N H N N N N H 3 C H 3 C N HN H 3 C CH 3 H 3 C Ki = 0.084 nM 431.54 COc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL4245639 OBDepict H 3 C O N H N N N N N CH 3 N N CH 3 H 3 C H 3 C Ki = 0.088 nM 444.54 CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL3927553 OBDepict CH 3 O N H N N N N H 3 C H 3 C HN N CH 3 H 3 C CH 3 H 3 C Ki = 0.094 nM 445.57 COc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL4632740 OBDepict H 3 C O NH N O N N N O HN O F IC50 = 0.1 nM 592.63 COc1cc(C(=O)N2CC3(COC3)C2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1 Homo sapiens CHEMBL4620770 assay format
CHEMBL4469414 OBDepict O NH CH 3 N N N O N H N H H 3 C HO Ki = 0.1 nM 498.59 Cc1cc(-c2cnn3c(NC[C@H]4C[C@@](C)(O)C4)cc(Oc4cccnc4)nc23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL4427377 assay format
CHEMBL3924132 OBDepict H 3 C O N H N N N N N H 3 C HN N CH 3 H 3 C CH 3 H 3 C Ki = 0.11 nM 446.56 CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL4239476 OBDepict H 3 C O N H N N N N N H 3 C N N H 3 C O Ki = 0.11 nM 486.58 CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N3CC4(CCOCC4)C3)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL4240502 OBDepict CH 3 O N H N N N N N CH 3 NH N N CH 3 CH 3 H 3 C CH 3 H 3 C CH 3 Ki = 0.12 nM 517.68 CCOc1cc(-c2nnc(CCN(C)C)n2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL4247121 OBDepict H 3 C O N H N N N N N H 3 C H 3 C HN N CH 3 H 3 C CH 3 H 3 C Ki = 0.12 nM 460.59 CCOc1cc(-c2nnc(C)n2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL3932996 OBDepict CH 3 O N H N N N N N H 3 C HN N CH 3 H 3 C CH 3 H 3 C Ki = 0.13 nM 432.53 COc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL4636046 OBDepict H 3 C O N H N O N N N H H O HN O F IC50 = 0.15 nM 592.63 COc1cc(C(=O)N2C[C@@H]3C[C@H]2CO3)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1 Homo sapiens CHEMBL4620770 assay format
CHEMBL4251352 OBDepict H 3 C O HN N N N N N HN N H 3 C H 3 C H 3 C CH 3 Ki = 0.19 nM 458.57 COc1cc(-c2nnc3n2CCC3)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL4249151 OBDepict H 3 C O N H N N N N N CH 3 N N CH 3 H 3 C N Ki = 0.2 nM 455.53 CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N3CC(C)(C#N)C3)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL3809829 OBDepict CH 3 O N H N N N N CH 3 N NH H 3 C H CH 3 H 3 C CH 3 Ki = 0.2 nM 431.54 COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1 Homo sapiens CHEMBL3811384 cell-based format
CHEMBL3961628 OBDepict O N H CH 3 N N O HN OH F F F IC50 = 0.2 nM 510.52 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4O)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3951371 OBDepict O N H H 3 C N N NH N F F F IC50 = 0.2 nM 479.51 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(-c4ccncc4)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3928754 OBDepict O NH CH 3 N N O HN F F O IC50 = 0.2 nM 532.59 Cc1cc(-n2cnc3c(NCC4CCOCC4)cc(Oc4cccc(F)c4F)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL4642174 OBDepict O N H H 3 C N N N NH F F F IC50 = 0.2 nM 493.53 Cc1cc(-c2cnc3c(NCCC(F)(F)F)nc(Cc4ccccc4)cn23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL4620769 assay format
CHEMBL3965128 OBDepict CH 3 N H O H 3 C N N O NH OH F F F IC50 = 0.3 nM 484.48 CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4O)cc32)cc1C Homo sapiens CHEMBL3888715 single protein format
CHEMBL3354568 OBDepict O N H H 3 C N N N NH OH CH 3 HO F F F F IC50 = 0.3 nM 557.55 Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(C(C)(O)c4cccc(F)c4O)nn23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3377244 single protein format
CHEMBL4303241 OBDepict CH 3 O N H S O O CH 3 N N N NH O H 3 C H F IC50 = 0.34 nM 559.62 COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1 Homo sapiens CHEMBL4349566 single protein format
CHEMBL4250961 OBDepict CH 3 O NH N N N N N HN N H 3 C H 3 C H 3 C CH 3 Ki = 0.38 nM 472.6 CCOc1cc(-c2nnc3n2CCC3)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL3912382 OBDepict CH 3 O F O HN N N CH 3 O NH O IC50 = 0.4 nM 544.63 COc1ccc(Oc2cc(NCC3CCOCC3)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F Homo sapiens CHEMBL3888715 single protein format
CHEMBL3923628 OBDepict CH 3 O F O NH N N F F F N H O IC50 = 0.4 nM 528.51 COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)cc4)c3c2)cc1F Homo sapiens CHEMBL3888715 single protein format
CHEMBL3354567 OBDepict CH 3 O F O N N NH N F F F CH 3 N H O IC50 = 0.4 nM 555.53 COc1ccc(C(=O)c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F Homo sapiens CHEMBL3377244 single protein format
CHEMBL3918586 OBDepict O N H CH 3 N N O HN OH F F F F IC50 = 0.4 nM 528.51 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4O)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3818646 OBDepict O NH CH 3 N N N O N HN F F O IC50 = 0.4 nM 534.57 Cc1cc(-c2cnn3c(NCC4CCOCC4)nc(Oc4cccc(F)c4F)nc23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3821249 single protein format
CHEMBL3932181 OBDepict F O N H N N CH 3 O N H O IC50 = 0.4 nM 514.6 Cc1cc(-n2cnc3c(NCC4CCOCC4)cc(Oc4cccc(F)c4)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3916360 OBDepict O N H H 3 C N N O NH F F F IC50 = 0.5 nM 494.52 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL4436510 OBDepict N N H N NH N N H H 3 C CH 3 HO CH 3 N N O Ki < 0.5 nM 422.49 Cc1nc(N2CCOCC2)ccc1Nc1nc(NC(C)(C)CO)c2c(C#N)c[nH]c2n1 Homo sapiens CHEMBL4349567 assay format
CHEMBL4450240 OBDepict N N H HN N N N H O H 3 C N N O Ki < 0.5 nM 434.5 Cc1nc(N2CCOCC2)ccc1Nc1nc(NC2CCOCC2)c2c(C#N)c[nH]c2n1 Homo sapiens CHEMBL4349567 assay format
CHEMBL4645348 OBDepict O NH CH 3 N N N O N H N H H 3 C HO IC50 = 0.5 nM 498.59 Cc1cc(-c2cnc3c(NC[C@H]4C[C@@](C)(O)C4)cc(Oc4cccnc4)nn23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL4620769 assay format
CHEMBL3809252 OBDepict CH 3 O N H N N N N CH 3 N NH CH 3 H 3 C CH 3 Ki = 0.5 nM 417.52 COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL3811384 cell-based format
CHEMBL3941964 OBDepict O N H CH 3 N N O HN F F F F F IC50 = 0.5 nM 530.5 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL4632416 OBDepict CH 3 O F CH 2 N N NH N F F F CH 3 N H O IC50 = 0.5 nM 553.56 C=C(c1ccc(OC)c(F)c1)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Homo sapiens CHEMBL4620769 assay format
CHEMBL4642491 OBDepict H 3 C O NH N O N N N F HN O CH 3 H F IC50 = 0.5 nM 582.61 COc1cc(C(=O)N2CC(F)C2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1 Homo sapiens CHEMBL4620770 assay format
CHEMBL4634949 OBDepict O N H H 3 C N N O N NH F F F IC50 = 0.5 nM 495.51 Cc1cc(-c2cnc3c(NCCC(F)(F)F)nc(Oc4ccccc4)cn23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL4620769 assay format
CHEMBL4634997 OBDepict F OH N N NH N F F F CH 3 HN O IC50 = 0.6 nM 553.56 Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(C4(c5cc(F)ccc5O)CC4)nn23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL4620769 assay format
CHEMBL3951894 OBDepict CH 3 O F NH N N H 3 C O HN O IC50 = 0.6 nM 528.63 Cc1cc(F)cc(Oc2cc(NCC3CCOCC3)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3976909 OBDepict F O CH 3 NH N N H 3 C O HN O IC50 = 0.6 nM 528.63 Cc1ccc(F)cc1Oc1cc(NCC2CCOCC2)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3920978 OBDepict OH O N H N N F F F CH 3 NH O IC50 = 0.6 nM 510.52 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(O)c4)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL4476012 OBDepict CH 3 O N H N O N N H 3 C CH 3 O N H H H 3 C HO IC50 = 0.6 nM 439.52 COc1cc(C(=O)N(C)C)ccc1Nc1nc(O[C@H]2CC[C@](C)(O)CC2)c2cc[nH]c2n1 Homo sapiens CHEMBL4349091 assay format
CHEMBL3354995 OBDepict CH 3 O F F N N NH N F F F CH 3 N H O IC50 = 0.6 nM 559.54 COc1ccc(C(F)(F)c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1 Homo sapiens CHEMBL3377244 single protein format
CHEMBL4456085 OBDepict CH 3 O F F O N N NH N F F F CH 3 N H O IC50 = 0.63 nM 561.51 COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F Homo sapiens CHEMBL4349566 single protein format
CHEMBL3907929 OBDepict F O N H N N F F F CH 3 NH O IC50 = 0.7 nM 512.51 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL4546504 OBDepict CH 3 N CH 3 O O N H CH 3 H N N F F F O N H H Cl H 3 C HO IC50 = 0.7 nM 555.99 C[C@@H](Oc1cc(C(=O)N(C)C)ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(F)(F)F Homo sapiens CHEMBL4349091 assay format
CHEMBL3972126 OBDepict O N H H 3 C N N O NH F F F F OH IC50 = 0.7 nM 528.51 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(O)c(F)c4)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3958776 OBDepict O NH CH 3 N N O HN F HO O IC50 = 0.7 nM 530.6 Cc1cc(-n2cnc3c(NCC4CCOCC4)cc(Oc4ccc(O)c(F)c4)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3819019 OBDepict F NH N N N H N N CH 3 O N H O IC50 = 0.7 nM 515.59 Cc1cc(-c2cnn3c(NCC4CCOCC4)nc(Nc4cccc(F)c4)nc23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3821249 single protein format
CHEMBL3354996 OBDepict O N H CH 3 N N N N H F F F F F IC50 = 0.7 nM 555.55 Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(C4(c5cccc(F)c5F)CC4)nn23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3377244 single protein format
CHEMBL3977649 OBDepict CH 3 N H O H 3 C N N O NH OH F F F IC50 = 0.7 nM 498.51 CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4O)cc32)cc1C Homo sapiens CHEMBL3888715 single protein format
CHEMBL3930776 OBDepict CH 3 O F O NH N N F F F CH 3 N H O IC50 = 0.7 nM 542.53 COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F Homo sapiens CHEMBL3888715 single protein format
CHEMBL4450891 OBDepict CH 3 O N H N O N N H 3 C CH 3 O N H H H 3 C HO IC50 = 0.7 nM 439.52 COc1cc(C(=O)N(C)C)ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2cc[nH]c2n1 Homo sapiens CHEMBL4349091 assay format
CHEMBL3354569 OBDepict F F F N N NH N F F F H 3 C N H O IC50 = 0.7 nM 547.5 Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(C(F)(F)c4cccc(F)c4)nn23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3377244 single protein format
CHEMBL3819210 OBDepict O NH CH 3 N N N O N HN O Ki = 0.77 nM 498.59 Cc1cc(-c2cnn3c(NCC4CCOCC4)nc(Oc4ccccc4)nc23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3820208 single protein format
CHEMBL3900491 OBDepict CH 3 O N H N N N H 3 C N H 3 C N HN H 3 C CH 3 H 3 C Ki = 0.78 nM 431.54 COc1cc(-c2cnn(C)c2C)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL4248872 OBDepict H 3 C O N H N N N N N CH 3 N N CH 3 Ki = 0.82 nM 430.52 CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N3CCCC3)c2n1 Homo sapiens CHEMBL4236759 assay format
CHEMBL3930381 OBDepict CH 3 O F O NH N N F F F CH 3 N H O IC50 = 0.9 nM 542.53 COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c(F)c1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3963282 OBDepict O HN CH 3 NH N N F F F CH 3 N H O IC50 = 0.9 nM 575.64 Cc1cc(-c2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3971110 OBDepict CH 3 N H O CH 3 NH N N F F F CH 3 N H O IC50 = 0.9 nM 549.6 CNC(=O)c1ccc(-c2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1C Homo sapiens CHEMBL3888715 single protein format
CHEMBL3922470 OBDepict CH 3 O F NH N N F F F CH 3 N H O IC50 = 0.9 nM 540.56 COc1ccc(Cc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F Homo sapiens CHEMBL3888715 single protein format
CHEMBL3819328 OBDepict O NH CH 3 N N N NH N HN F O IC50 = 0.94 nM 515.59 Cc1cc(-c2cnn3c(NCC4CCOCC4)nc(Nc4ccccc4F)nc23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3821249 single protein format
CHEMBL3906542 OBDepict CH 3 O N H N N N H 3 C N N N HO CH 3 CH 3 IC50 = 1.0 nM 469.55 COc1cc(-c2ncnn2C)ccc1Nc1cc2cc(-c3cnn(CC(C)(C)O)c3)ccc2cn1 Homo sapiens CHEMBL3888460 single protein format
CHEMBL3961626 OBDepict CH 3 O HN N O N O N N OH H 3 C H 3 C IC50 = 1.0 nM 527.63 COc1cc(C(=O)N2CC3(CCOC3)C2)ccc1Nc1cc2cc(-c3cnn(CC(C)(C)O)c3)ccc2cn1 Homo sapiens CHEMBL3888460 single protein format
CHEMBL4636230 OBDepict H 3 C O N H N O N N N O N H O F IC50 < 1.0 nM 580.62 COc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1 Homo sapiens CHEMBL4620770 assay format
CHEMBL3932702 OBDepict H 3 C O N H N N N N H 3 C N N N HO CH 3 CH 3 IC50 = 1.0 nM 484.56 CCOc1cc(-c2nncn2C)ccc1Nc1cc2nc(-c3cnn(CC(C)(C)O)c3)ccc2cn1 Homo sapiens CHEMBL3888460 single protein format
CHEMBL3963669 OBDepict N O N H N N F F F CH 3 NH O IC50 = 1.0 nM 519.53 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(C#N)c4)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3894315 OBDepict H 3 C O N H N N N CH 3 H 3 C N N N OH IC50 = 1.0 nM 495.59 COc1cc(-c2cnc(C)n2C)ccc1Nc1cc2nc(-c3cnn(CC4(O)CCC4)c3)ccc2cn1 Homo sapiens CHEMBL3888460 single protein format
CHEMBL3912122 OBDepict CH 3 N H O H 3 C N N O NH F F F F F IC50 = 1.0 nM 504.46 CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cc32)cc1C Homo sapiens CHEMBL3888715 single protein format
CHEMBL3913772 OBDepict CH 3 O N H N N N N OH CH 3 N NH H 3 C O IC50 = 1.0 nM 475.55 COc1cc(-c2cnn(C)c2CO)ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1 Homo sapiens CHEMBL3888870 single protein format
CHEMBL3890351 OBDepict OH F O N H N N CH 3 O N H O IC50 = 1.0 nM 530.6 Cc1cc(-n2cnc3c(NCC4CCOCC4)cc(Oc4ccc(O)cc4F)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3968964 OBDepict CH 3 O N H N N N N H 3 C N N N HO CH 3 CH 3 IC50 = 1.0 nM 470.54 COc1cc(-c2nncn2C)ccc1Nc1cc2nc(-c3cnn(CC(C)(C)O)c3)ccc2cn1 Homo sapiens CHEMBL3888460 single protein format
CHEMBL3951011 OBDepict H 3 C O N N CH 3 O N H H 3 C N N N HO H 3 C H 3 C IC50 = 1.0 nM 512.61 COCc1ncc(-c2ccc(Nc3cc4cc(-c5cnn(CC(C)(C)O)c5)ccc4cn3)c(OC)c2)n1C Homo sapiens CHEMBL3888460 single protein format
CHEMBL4640261 OBDepict CH 3 O N H N N N O O N NH O F IC50 < 1.0 nM 552.57 COc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1 Homo sapiens CHEMBL4620770 assay format
CHEMBL3928170 OBDepict H 3 C O N H N N N N N H 3 C N HN CH 3 O IC50 = 1.0 nM 460.54 CCOc1cc(-c2nncn2C)ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1 Homo sapiens CHEMBL3888870 single protein format
CHEMBL3976059 OBDepict N N N N H N H 3 C CH 3 HN O IC50 = 1.0 nM 440.55 CC(C)CNc1nc(C#CCCCC#N)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 Homo sapiens CHEMBL3887641 single protein format
CHEMBL2047956 OBDepict CH 3 O N H N N N O N H N N H IC50 = 1.0 nM 437.55 CCOc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1 Homo sapiens CHEMBL2049891 single protein format
CHEMBL2047951 OBDepict OH N H N N N H N N H CH 3 N O IC50 = 1.0 nM 423.52 Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCC(O)CC2)c2nc[nH]c2n1 Homo sapiens CHEMBL2049891 single protein format
CHEMBL2047958 OBDepict CH 3 O N H N N N HN N H N N H IC50 = 1.0 nM 422.54 COc1cc(N2CCNCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1 Homo sapiens CHEMBL2049891 single protein format
CHEMBL3891051 OBDepict CH 3 O N H N N N N H 3 C N N HO CH 3 CH 3 IC50 = 1.0 nM 469.55 COc1cc(-c2nncn2C)ccc1Nc1cc2cc(-c3cnn(CC(C)(C)O)c3)ccc2cn1 Homo sapiens CHEMBL3888460 single protein format
CHEMBL3942039 OBDepict CH 3 H 3 C NH N N N + S _ O N H O IC50 = 1.0 nM 513.67 CC(C)CNc1nc(-c2ccc([S+]([O-])C3CC3)cc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 Homo sapiens CHEMBL3888154 single protein format
CHEMBL3422104 OBDepict CH 3 H 3 C NH N N N N N H O IC50 = 1.0 nM 476.58 CC(C)CNc1nc(-c2cccc3ncccc23)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 Homo sapiens CHEMBL3424201 single protein format
CHEMBL4640247 OBDepict CH 3 O F F O N NH N N F F F CH 3 N H O IC50 = 1.0 nM 561.51 COc1ccc(Oc2cc(NCCC(F)(F)F)n3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)c3n2)c(F)c1F Homo sapiens CHEMBL4620769 assay format
CHEMBL4581793 OBDepict N N H N N N N H O IC50 = 1.0 nM 444.5 N#Cc1ccccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cn2n1 Homo sapiens CHEMBL4349557 single protein format
CHEMBL4646001 OBDepict CH 3 O N H N N N O O N NH O H 3 C H F IC50 = 1.0 nM 566.59 COc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1 Homo sapiens CHEMBL4620770 assay format
CHEMBL2047952 OBDepict H N N N N H N NH O N F F F O IC50 = 1.0 nM 477.49 FC(F)(F)Oc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1 Homo sapiens CHEMBL2049891 single protein format
CHEMBL3929046 OBDepict H 3 C O N H N N N CH 3 H 3 C N N IC50 = 1.0 nM 464.57 COc1cc(-c2cnc(C)n2C)ccc1Nc1cc2cc(-c3cnn(CC4CC4)c3)ccc2cn1 Homo sapiens CHEMBL3888460 single protein format
CHEMBL4558047 OBDepict H 3 C O N H N O N N CH 3 H 3 C O N H H O CH 3 CH 3 IC50 = 1.0 nM 439.52 COc1cc(C(=O)N(C)C)ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1 Homo sapiens CHEMBL4349091 assay format
CHEMBL4472951 OBDepict CH 3 O N H N O N N CH 3 H 3 C O N H O IC50 = 1.0 nM 411.46 COc1cc(C(=O)N(C)C)ccc1Nc1nc(OC2CCOCC2)c2cc[nH]c2n1 Homo sapiens CHEMBL4349091 assay format
CHEMBL3422095 OBDepict HO H N H N N H N H O H N N IC50 = 1.1 nM 522.65 O=C(N[C@H](c1ncccn1)C1CCCC1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1 Homo sapiens CHEMBL3423895 single protein format
CHEMBL3939360 OBDepict HO F O N H N N F F F CH 3 NH O IC50 = 1.1 nM 528.51 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(O)cc4F)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3422080 OBDepict O HN N N N H O N O IC50 = 1.1 nM 529.69 O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2[nH]nc(-c3ccc(N4C5CCC4COC5)cc3)c2c1 Homo sapiens CHEMBL3423895 single protein format
CHEMBL3984609 OBDepict O NH CH 3 N N O HN F F O IC50 = 1.1 nM 532.59 Cc1cc(-n2cnc3c(NCC4CCOCC4)cc(Oc4ccc(F)c(F)c4)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL4526755 OBDepict O NH CH 3 N N N O N H N H H HO IC50 = 1.1 nM 484.56 Cc1cc(-c2cnn3c(NC[C@H]4C[C@H](O)C4)cc(Oc4cccnc4)nc23)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL4427377 assay format
CHEMBL3963313 OBDepict OH O N H N N F F F H 3 C HN O IC50 = 1.1 nM 510.52 Cc1cc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(O)cc4)cc32)ccc1C(=O)NC1CC1 Homo sapiens CHEMBL3888715 single protein format
CHEMBL3974177 OBDepict H 3 C O O N N N H N H 3 C CH 3 HN O IC50 = 1.2 nM 459.55 COC(=O)CCC#Cc1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1 Homo sapiens CHEMBL3887641 single protein format
CHEMBL3422086 OBDepict O NH H N N N H N O IC50 = 1.2 nM 507.64 O=C(N[C@H](c1ccccn1)C1CCCC1)c1ccc2[nH]nc(-c3ccc(N4C5CCC4COC5)cc3)c2c1 Homo sapiens CHEMBL3423895 single protein format
CHEMBL3422091 OBDepict HO H N H N N H N H O H N IC50 = 1.2 nM 493.61 O=C(N[C@H](c1ccccn1)C1CC1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1 Homo sapiens CHEMBL3423895 single protein format