Reaction Details | |||
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Target | Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 | ||
Ligand | BDBM50420305 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_839770 (CHEMBL2089692) | ||
IC50 | 120±n/a nM | ||
Citation | Cho, YS; Angove, H; Brain, C; Chen, CH; Cheng, H; Cheng, R; Chopra, R; Chung, K; Congreve, M; Dagostin, C; Davis, DJ; Feltell, R; Giraldes, J; Hiscock, SD; Kim, S; Kovats, S; Lagu, B; Lewry, K; Loo, A; Lu, Y; Luzzio, M; Maniara, W; McMenamin, R; Mortenson, PN; Benning, R; Rees, DC; Shen, J; Smith, T; Wang, Y; Williams, G; Woolford, AJ; Wrona, W; Xu, M; Yang, F; Howard, S Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett3:445-449 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 | |||
Name: | Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 | ||
Synonyms: | CDK6/CycD3 | CDK6/D3 | CDK6/G1/S-specific cyclin D3 | CDK6/cyclin D3 | Cyclin-dependent kinase 6 | Cyclin-dependent kinase 6/G1/S-specific cyclin D3 | ||
Type: | Protein | ||
Mol. Mass.: | n/a | ||
Description: | n/a | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
Name: | Cyclin-dependent kinase 6 | ||
Synonyms: | CDK6 | CDK6_HUMAN | CDKN6 | Cell division protein kinase 6 | Cyclin-dependent kinase 6 (CDK 6) | Serine/threonine-protein kinase PLSTIRE | ||
Type: | Enzyme Subunit | ||
Mol. Mass.: | 36937.42 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q00534 | ||
Residue: | 326 | ||
Sequence: |
| ||
Component 2 | |||
Name: | G1/S-specific cyclin-D3 | ||
Synonyms: | CCND3 | CCND3_HUMAN | ||
Type: | Enzyme | ||
Mol. Mass.: | 32521.90 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P30281 | ||
Residue: | 292 | ||
Sequence: |
| ||
BDBM50420305 | |||
n/a | |||
Name | BDBM50420305 | ||
Synonyms: | CHEMBL2089057 | US8598217, 173 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H30N8O | ||
Mol. Mass. | 482.5801 | ||
SMILES | CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1c(C)nn(C)c1C |(10.17,-39.75,;9.4,-38.41,;10.17,-37.08,;7.86,-38.41,;7.09,-39.74,;5.55,-39.75,;4.79,-38.41,;5.54,-37.08,;7.09,-37.08,;3.25,-38.42,;2.47,-37.08,;.94,-37.09,;.18,-38.42,;-1.32,-38.74,;-1.49,-40.28,;-.07,-40.9,;.95,-39.75,;2.48,-39.75,;-2.82,-41.05,;-2.82,-42.59,;-4.15,-40.28,;-5.49,-41.06,;-6.83,-40.29,;-6.82,-38.74,;-8.16,-37.97,;-9.5,-37.2,;-5.49,-37.97,;-4.16,-38.73,;-5.51,-36.43,;-6.76,-35.53,;-8.22,-36.01,;-6.29,-34.06,;-4.75,-34.06,;-3.85,-32.81,;-4.27,-35.52,;-2.8,-35.99,)| | ||
Structure |