Reaction Details | |||
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Target | Cyclin-dependent kinase 1 | ||
Ligand | BDBM50437235 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_969560 (CHEMBL2406224) | ||
IC50 | 23±n/a nM | ||
Citation | Gucký, T; Jorda, R; Zatloukal, M; Bazgier, V; Berka, K; Reznícková, E; Béres, T; Strnad, M; Kryštof, V A novel series of highly potent 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitors. J Med Chem56:6234-47 (2013) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cyclin-dependent kinase 1 | |||
Name: | Cyclin-dependent kinase 1 | ||
Synonyms: | CDC2 | CDC28A | CDK1 | CDK1_HUMAN | CDKN1 | Cell division control protein 2 homolog | Cell division protein kinase 1 | Cyclin-dependent kinase 1 (CDK1) | P34CDC2 | p34 protein kinase | ||
Type: | Enzyme Subunit | ||
Mol. Mass.: | 34101.08 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P06493 | ||
Residue: | 297 | ||
Sequence: |
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BDBM50437235 | |||
n/a | |||
Name | BDBM50437235 | ||
Synonyms: | CHEMBL2402947 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H30ClN7O | ||
Mol. Mass. | 455.984 | ||
SMILES | NC1CCC(CC1)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C3CCCC3)c2n1 |(23.71,-19.02,;22.17,-19.03,;21.41,-20.37,;19.88,-20.39,;19.11,-19.06,;19.85,-17.72,;21.39,-17.71,;17.57,-19.08,;16.78,-17.75,;15.24,-17.76,;14.46,-16.43,;12.92,-16.44,;12.13,-15.11,;10.59,-15.13,;9.81,-13.8,;8.26,-13.83,;7.47,-12.51,;7.51,-15.16,;8.29,-16.48,;9.83,-16.47,;10.62,-17.79,;15.21,-15.08,;14.72,-13.62,;15.95,-12.71,;17.21,-13.59,;18.68,-13.1,;19.93,-13.99,;21.17,-13.06,;20.67,-11.6,;19.13,-11.62,;16.75,-15.07,;17.55,-16.4,)| | ||
Structure |