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Q7L7X3 | TAOK1_HUMAN | Serine/threonine-protein kinase TAO1 (TAOK1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 1.21 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328625 single protein format
CHEMBL3717287 OBDepict CH 3 HN O N H O IC50 = 50.0 nM 392.54 CCCCCCc1ccc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3716788 OBDepict CH 3 O N H O CH 3 NH O IC50 = 50.0 nM 408.54 CCCCCOc1ccc(C(=O)NC(C)C(=O)NC2CCc3ccccc3C2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715872 OBDepict CH 3 O NH O N H O IC50 = 50.0 nM 422.57 CCCCCCCOc1ccc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715380 OBDepict O N H N H N O IC50 = 50.0 nM 467.61 O=C(NC1CCCc2ccccc21)C(NC(=O)C(c1ccccc1)C1CCCC1)c1cccnc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715148 OBDepict O NH O N H O Br IC50 = 50.0 nM 417.3 O=C(COc1ccc(Br)cc1)NCC(=O)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715887 OBDepict O HN O N H O O IC50 = 50.0 nM 444.53 O=C(COc1ccc(OCc2ccccc2)cc1)NCC(=O)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715546 OBDepict O N H NH N S O NH O IC50 = 50.0 nM 458.54 O=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC(=O)Nc1nc2ccccc2s1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717424 OBDepict O N H HN N H O O N S OH IC50 = 50.0 nM 474.54 O=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC(=O)Nc1nc2ccc(O)cc2s1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717017 OBDepict CH 3 O HN O N H O IC50 = 50.0 nM 394.52 CCCCCOc1ccc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720851 assay format
CHEMBL3716741 OBDepict CH 3 N H O CH 3 NH O IC50 = 50.0 nM 426.56 CCc1ccc(-c2ccc(C(=O)NC(C)C(=O)NC3CCc4ccccc4C3)cc2)cc1 Homo sapiens CHEMBL3720851 assay format
CHEMBL3716744 OBDepict CH 3 O N H O CH 3 NH O IC50 = 50.0 nM 394.52 CCCCOc1ccc(C(=O)NC(C)C(=O)NC2CCc3ccccc3C2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715821 OBDepict CH 3 O N H O NH O IC50 = 50.0 nM 408.54 CCCCCCOc1ccc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720851 assay format
CHEMBL3714861 OBDepict O NH O Cl Cl N N N IC50 = 50.0 nM 465.34 O=C(COc1ccc(-c2ncc(-c3ccccn3)cn2)cc1)NCc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3720851 assay format
CHEMBL3715292 OBDepict O N H N N N S O O IC50 = 50.0 nM 438.55 O=C(CN1CCN(S(=O)(=O)CCc2cccc3ccccc23)CC1)Nc1ccccn1 Homo sapiens CHEMBL3720851 assay format
CHEMBL3717759 OBDepict O HN N H O O IC50 = 50.0 nM 414.51 O=C(CNC(=O)c1ccc(OCc2ccccc2)cc1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720851 assay format
CHEMBL3716753 OBDepict CH 3 NH O N H O IC50 = 50.0 nM 408.5 CCc1ccc(-c2ccc(C(=O)NCC(=O)Nc3cccc4ccccc34)cc2)cc1 Homo sapiens CHEMBL3720851 assay format
CHEMBL3717846 OBDepict H 3 C O N S N N H O N H O N H O IC50 = 50.0 nM 489.56 COc1ccc2nc(NC(=O)CNC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)sc2n1 Homo sapiens CHEMBL3720851 assay format
CHEMBL3717022 OBDepict H 3 C O S N N H O N H O N H O IC50 < 50.0 nM 488.57 COc1ccc2nc(NC(=O)CNC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)sc2c1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718409 OBDepict CH 3 N H O HN O H IC50 < 50.0 nM 412.53 CCc1ccc(-c2ccc(C(=O)NCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717933 OBDepict O HN HN O IC50 < 50.0 nM 384.48 O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3716968 OBDepict O NH HN CH 3 O O IC50 = 50.0 nM 428.53 CC(NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)NC1CCc2ccccc2C1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717998 OBDepict H 3 C O S N N H O O O N H O IC50 < 50.0 nM 489.55 COc1ccc2nc(NC(=O)COC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)sc2c1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718066 OBDepict O HN HN O CH 3 CH 3 O IC50 = 50.0 nM 442.56 Cc1cc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc(C)c1OCc1ccccc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717300 OBDepict CH 3 NH O N H O IC50 < 50.0 nM 412.53 CCc1ccc(-c2ccc(C(=O)NCC(=O)NC3CCCc4ccccc43)cc2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3719326 OBDepict CH 3 N H N O H 2 N HN O Cl Cl IC50 = 50.0 nM 463.41 CCCCc1ccc(NC(=O)N2CCC[C@@]2(N)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717193 OBDepict CH 3 O S N N H O N H O N N O S IC50 = 50.0 nM 511.63 COc1ccc2nc(NC(=O)CCCNC(=O)Cn3cnc4sc5c(c4c3=O)CCCC5)sc2c1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717484 OBDepict CH 3 CH 3 N H N O H 2 N N H O Cl Cl IC50 = 50.0 nM 449.38 CC(C)c1ccc(NC(=O)N2CCC[C@@]2(N)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718166 OBDepict O NH N H O O Cl Cl Br IC50 = 50.0 nM 446.13 O=C(CNC(=O)COc1ccc(Br)cc1)NCc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718523 OBDepict O NH HN O O N IC50 = 50.0 nM 375.43 O=C(CNC(=O)c1ccc(-c2cnco2)cc1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715956 OBDepict CH 3 NH O N H O CH 3 IC50 = 50.0 nM 386.5 CCc1ccc(-c2ccc(C(=O)NCC(=O)NCc3ccccc3C)cc2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3716416 OBDepict CH 3 NH O N H O F F F IC50 = 50.0 nM 440.47 CCc1ccc(-c2ccc(C(=O)NCC(=O)NCc3ccccc3C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3716849 OBDepict O HN N H O OH IC50 = 50.0 nM 324.38 O=C(CNC(=O)c1ccc(O)cc1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717452 OBDepict H 3 C O O H 3 C NH O H N H O N H IC50 = 50.0 nM 523.63 COc1ccc(/C=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCc3ccccc32)cc1OC Homo sapiens CHEMBL3720849 assay format
CHEMBL3719286 OBDepict O HN HN O IC50 = 50.0 nM 390.53 O=C(CNC(=O)c1ccc(C2CCCCC2)cc1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717468 OBDepict O NH N H O O IC50 = 50.0 nM 400.48 O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715589 OBDepict CH 3 O N H NH O H N H O O IC50 = 50.0 nM 489.62 CCCCOc1ccc(NC(=O)N[C@@H](COCc2ccccc2)C(=O)NCCc2ccccc2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718453 OBDepict O N H N H O N H O O IC50 = 50.0 nM 401.42 O=C(NCC1COc2ccccc2O1)c1ccc2c(c1)NC(=O)c1ccccc1N2 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715362 OBDepict CH 3 O N S N O H NH O O O IC50 = 50.0 nM 455.54 CCOCCCn1c(=S)[nH]c2cc(C(=O)NCC3COc4ccccc4O3)ccc2c1=O Homo sapiens CHEMBL3720849 assay format
CHEMBL3718473 OBDepict CH 3 O S N N H O N H O N N O S CH 3 H 3 C IC50 = 50.0 nM 457.54 COc1ccc2nc(NC(=O)CNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)sc2c1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715987 OBDepict O HN HN O N N N N IC50 = 50.0 nM 452.52 O=C(NC(C(=O)NC1CCCc2ccccc21)c1cccnc1)c1ccc(-n2cncn2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718397 OBDepict H 3 C O O CH 3 N O N HN O N H Cl IC50 = 50.0 nM 494.98 COc1ccc(/C=C/C(=O)N2Cc3[nH]cnc3CC2C(=O)NCCc2cccc(Cl)c2)cc1OC Homo sapiens CHEMBL3720849 assay format
CHEMBL3715806 OBDepict CH 3 O NH O H N H O N H IC50 = 50.0 nM 509.65 CCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717236 OBDepict CH 3 O O N H CH 3 HN O H N H O N H IC50 = 50.0 nM 538.65 COc1cc2c(cc1OC)NC(C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NC1CCCc3ccccc31)C2 Homo sapiens CHEMBL3720849 assay format
CHEMBL3716597 OBDepict CH 3 N H O NH O IC50 = 50.0 nM 406.57 CCCCCCCc1ccc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717391 OBDepict CH 3 N H O HN O IC50 = 50.0 nM 378.52 CCCCCc1ccc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL1270230 OBDepict NH 2 N N N H O NH 2 IC50 = 420.0 nM 279.3 NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1 Homo sapiens CHEMBL1274138 single protein format
CHEMBL3937369 OBDepict N O N N H N N N N N IC50 = 490.0 nM 416.49 c1cnc2ncn(-c3cc(Nc4ccc(OCCN5CCCCC5)cn4)ncn3)c2c1 Homo sapiens CHEMBL4329878 single protein format
CHEMBL3715041 OBDepict O NH N H O IC50 = 500.0 nM 358.44 O=C(CNC(=O)c1ccc2ccccc2c1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718164 OBDepict O NH HN O N N IC50 = 500.0 nM 374.44 O=C(CNC(=O)c1ccc(-n2ccnc2)cc1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715005 OBDepict O NH NH N O N N IC50 = 500.0 nM 489.58 O=C(NC(C(=O)NC1CCCc2ccccc21)c1cccnc1)c1ccc(/N=N/c2ccccc2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718736 OBDepict CH 3 O N H O HN O IC50 = 500.0 nM 380.49 CCCCOc1ccc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3715942 OBDepict CH 3 HN O N H O CH 3 IC50 = 500.0 nM 386.5 CCc1ccc(-c2ccc(C(=O)NCC(=O)NC(C)c3ccccc3)cc2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718940 OBDepict O HN HN O N IC50 = 500.0 nM 391.52 O=C(CNC(=O)c1ccc(N2CCCCC2)cc1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718891 OBDepict CH 3 O O HN O N H O IC50 = 500.0 nM 368.43 COc1cccc(OCC(=O)NCC(=O)NC2CCCc3ccccc32)c1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717713 OBDepict O NH N H O N IC50 = 500.0 nM 359.43 O=C(CNC(=O)c1ccc2ncccc2c1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3716774 OBDepict CH 3 N H O N H O CH 3 IC50 = 500.0 nM 400.52 CCc1ccc(-c2ccc(C(=O)NCC(=O)NC(CC)c3ccccc3)cc2)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3719051 OBDepict CH 3 O O N CH 3 H N H O NH O IC50 = 500.0 nM 407.47 COc1cc2cc(C(=O)NCC(=O)NC3CCCc4ccccc43)[nH]c2cc1OC Homo sapiens CHEMBL3720849 assay format
CHEMBL3717111 OBDepict CH 3 O N H O H N H O H 3 C CH 3 IC50 = 500.0 nM 450.62 CCCCCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720851 assay format
CHEMBL3715050 OBDepict CH 3 NH O N H O IC50 = 500.0 nM 364.49 CCCCc1ccc(C(=O)NCC(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717584 OBDepict CH 3 O O H 3 C N H O H HN O O IC50 = 500.0 nM 550.66 COc1ccc(/C=C/C(=O)N[C@@H](COCc2ccccc2)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC Homo sapiens CHEMBL3720849 assay format
CHEMBL3719165 OBDepict O NH O N H O O F F F IC50 = 500.0 nM 422.4 O=C(COc1ccc(OC(F)(F)F)cc1)NCC(=O)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3718965 OBDepict O HN N H O O F F F IC50 = 500.0 nM 392.38 O=C(CNC(=O)c1ccc(OC(F)(F)F)cc1)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3714849 OBDepict CH 3 H 3 C NH HN O O IC50 = 500.0 nM 440.59 CC(C)CC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1CCCc2ccccc21 Homo sapiens CHEMBL3720849 assay format
CHEMBL3716742 OBDepict O N H NH HN O O N S IC50 = 500.0 nM 408.48 O=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC(=O)Nc1nccs1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3716567 OBDepict O N H O NH O CH 3 CH 3 CH 3 IC50 = 500.0 nM 394.52 CC(C)(C)c1ccc(OCC(=O)NCC(=O)NC2CCCc3ccccc32)cc1 Homo sapiens CHEMBL3720849 assay format
CHEMBL3717335 OBDepict CH 3 NH O N H O N H IC50 = 500.0 nM 413.52 CCc1ccc(-c2ccc(C(=O)NCC(=O)NC3CNCc4ccccc43)cc2)cc1 Homo sapiens CHEMBL3720849 assay format