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P48729 | KC1A_HUMAN | Casein kinase I isoform alpha (CSNK1A1)

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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -65100.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804365 cell-based format
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -34700.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804365 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -20900.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804365 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -17400.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804365 cell-based format
CHEMBL535 OBDepict H 3 C N CH 3 HN O H 3 C CH 3 N H O N H F IC50 < 1.0 nM 398.48 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C Homo sapiens CHEMBL1244314 single protein format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl IC50 < 1.0 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL1244314 single protein format
CHEMBL2203552 OBDepict CH 3 O N N N H N O N H IC50 = 9.0 nM 371.4 COc1cnc(-c2cnc3ccccc3c2)nc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL215919 OBDepict CH 3 N H H OH N N NH N N CH 3 H 3 C N IC50 = 14.0 nM 417.52 CC[C@H](CO)Nc1nc(Nc2cccc(-c3ccccn3)c2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL2091519 single protein format
CHEMBL1080583 OBDepict H 3 C N H HO N N HN N N H 3 C CH 3 N IC50 = 14.0 nM 417.52 CCC(CO)Nc1nc(Nc2cccc(-c3ccccn3)c2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL1114223 single protein format
CHEMBL2203555 OBDepict CH 3 O N N N NH H O N H IC50 = 19.0 nM 349.39 COc1cnc(NCc2ccccc2)nc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL2203553 OBDepict CH 3 O N N N H O N H F IC50 = 33.0 nM 364.38 COc1cnc(/C=C/c2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL2010872 OBDepict CH 3 H 3 C N N H N H N N O N N CH 3 IC50 = 48.0 nM 477.57 CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 Homo sapiens CHEMBL2016108 single protein format
CHEMBL2203556 OBDepict CH 3 O N N N N H H O N H IC50 = 54.0 nM 335.37 COc1cnc(Nc2ccccc2)nc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL2089212 OBDepict O N H HN Cl N H F N N N H N NH 2 IC50 = 78.0 nM 412.82 Nc1n[nH]c2nc(Nc3cccc(NC(=O)Nc4ccc(F)c(Cl)c4)c3)ncc12 Homo sapiens CHEMBL2091519 single protein format
CHEMBL2203557 OBDepict CH 3 O N N N O H O N H F IC50 = 95.0 nM 368.37 COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL2089214 OBDepict O NH N H N N H N H H 3 C H 3 C CH 3 N N N H N H 2 N IC50 = 142.0 nM 406.45 CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncc4c(N)n[nH]c4n3)c2)n[nH]1 Homo sapiens CHEMBL2091519 single protein format
CHEMBL2203559 OBDepict CH 3 O N N N H O O N H F IC50 = 146.0 nM 368.37 COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL2089036 OBDepict CH 3 CH 3 H 2 N H O O HO H HN N N N H N N H 3 C CH 3 N ClH IC50 = 150.0 nM 569.11 CC(C)[C@H](N)C(=O)OC[C@H](O)CNc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1.Cl Homo sapiens CHEMBL2089673 single protein format
CHEMBL2203561 OBDepict CH 3 O N N H O O N H F IC50 = 174.0 nM 367.38 COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL2089032 OBDepict OH OH H HN N N N H N N CH 3 H 3 C N IC50 = 180.0 nM 433.52 CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NC[C@@H](O)CO)nc21 Homo sapiens CHEMBL2089673 single protein format
CHEMBL2203562 OBDepict CH 3 O N N H O O N H F F IC50 = 225.0 nM 385.37 COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL4569508 OBDepict O N H S F F F N N N O N IC50 = 230.0 nM 529.59 O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1 Homo sapiens CHEMBL4479711 assay format
CHEMBL1336 OBDepict CH 3 NH O N O N H NH O Cl F F F IC50 = 250.0 nM 464.83 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 Homo sapiens CHEMBL1244314 single protein format
CHEMBL466496 OBDepict O O N H N H CH 3 H N IC50 = 250.0 nM 293.33 C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 Homo sapiens CHEMBL2091519 single protein format
CHEMBL2203563 OBDepict CH 3 O N N H O O HN F F IC50 = 251.0 nM 385.37 COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL410456 OBDepict H N N N O O NH 2 O IC50 = 300.0 nM 398.42 NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1 Homo sapiens CHEMBL2091519 single protein format
CHEMBL1945559 OBDepict N HN N O CH 3 HN Cl Cl IC50 = 330.0 nM 363.25 Cn1c2c(c3ccc(Cl)c(Cl)c31)C(C#N)C1(CCNCC1)NC2=O Homo sapiens CHEMBL1947843 single protein format
CHEMBL2203565 OBDepict CH 3 O N N H O O N H CH 3 F F IC50 = 383.0 nM 399.4 COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL2089034 OBDepict HO H N H OH N N HN N N CH 3 H 3 C N IC50 = 390.0 nM 459.55 CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(N3C[C@H](O)C[C@H]3CO)nc21 Homo sapiens CHEMBL2089673 single protein format
CHEMBL2203564 OBDepict CH 3 O N N H O O N H CH 3 F IC50 = 442.0 nM 381.41 COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL573107 OBDepict H 3 C CH 3 N H 3 C N O N CH 3 N N H F F OH IC50 = 450.0 nM 391.42 CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1C Homo sapiens CHEMBL2091519 single protein format
CHEMBL3261517 OBDepict CH 3 O Cl N S O H 2 N N N H 2 N IC50 = 545.0 nM 361.81 COc1ccc(-c2nc(-c3ccnc(N)n3)sc2C(N)=O)c(Cl)c1 Homo sapiens CHEMBL3266487 single protein format
CHEMBL2203554 OBDepict CH 3 O N N N H O N H F IC50 = 568.0 nM 366.4 COc1cnc(CCc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL2089033 OBDepict CH 3 N H 3 C N N N N H N H H H HO H OH N IC50 = 600.0 nM 473.58 CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(N[C@@H]3CCC[C@H](O)[C@@H]3O)nc21 Homo sapiens CHEMBL2089673 single protein format
CHEMBL4550702 OBDepict CH 3 N N N N N S NH O F F F IC50 = 630.0 nM 406.39 Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479711 assay format
CHEMBL2089035 OBDepict OH HO H N H N N N H N N CH 3 H 3 C N IC50 = 660.0 nM 447.54 CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCC[C@H](O)CO)nc21 Homo sapiens CHEMBL2089673 single protein format
CHEMBL3261514 OBDepict Cl Cl N S O NH 2 N N NH 2 IC50 = 694.0 nM 366.23 NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccc(Cl)cc1Cl Homo sapiens CHEMBL3266487 single protein format
CHEMBL2203560 OBDepict CH 3 O N N H O N H F IC50 = 736.0 nM 365.41 COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211469 single protein format
CHEMBL2006765 OBDepict CH 3 HN O N H N N HN N H F F F IC50 = 872.0 nM 392.39 CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 Homo sapiens CHEMBL4007697 single protein format
CHEMBL576349 OBDepict H 3 C O O O H 3 C H 3 C O NH IC50 = 1000.0 nM 311.34 COc1cc(OC)c(C=C2C(=O)Nc3ccccc32)c(OC)c1 Homo sapiens CHEMBL2091519 single protein format
CHEMBL4632881 OBDepict N N N N N N N IC50 < 1000.0 nM 395.47 c1ccc(-c2nnc(N3CCN(c4ncccn4)CC3)cc2-c2ccncc2)cc1 Homo sapiens CHEMBL4602948 single protein format