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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-T1/Cyclin-dependent kinase 9 | ||
| Ligand | BDBM50437236 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_969557 (CHEMBL2406221) | ||
| IC50 | 11±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-T1/Cyclin-dependent kinase 9 | |||
| Name: | Cyclin-T1/Cyclin-dependent kinase 9 | ||
| Synonyms: | CDK9/ Cyclin-T1 | CDK9/CycT1 | CDK9/Cyclin T | CDK9/Cyclin T1 | Cyclin T1/dependent kinase 9 | Cyclin-Dependent Kinase 9 (CDK9) | ||
| Type: | Protein Complex | ||
| Mol. Mass.: | n/a | ||
| Description: | n/a | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Cyclin-T1 | ||
| Synonyms: | CCNT1 | CCNT1_HUMAN | CycT | CycT1 | Cyclin T | Cyclin T1 | Cyclin-T | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 80712.40 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 726 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Cyclin-dependent kinase 9 | ||
| Synonyms: | C-2K | CDC2L4 | CDK9 | CDK9_HUMAN | Cell division cycle 2-like protein kinase 4 | Cell division protein kinase 9 | Cyclin-Dependent Kinase 9 (CDK9) | Cyclin-dependent kinase 9 (CDK9) | Serine/threonine-protein kinase PITALRE | TAK | Tat-associated kinase complex catalytic subunit | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 42789.13 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 372 | ||
| Sequence: |
| ||
| BDBM50437236 | |||
| n/a | |||
| Name | BDBM50437236 | ||
| Synonyms: | CHEMBL2402946 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H34N8O | ||
| Mol. Mass. | 498.6226 | ||
| SMILES | NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| | ||
| Structure | 
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