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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-A2/Cyclin-dependent kinase 2 | ||
| Ligand | BDBM50367847 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1735964 (CHEMBL4151500) | ||
| IC50 | >100000±n/a nM | ||
| Citation |  Ito, M; Tanaka, T; Toita, A; Uchiyama, N; Kokubo, H; Morishita, N; Klein, MG; Zou, H; Murakami, M; Kondo, M; Sameshima, T; Araki, S; Endo, S; Kawamoto, T; Morin, GB; Aparicio, SA; Nakanishi, A; Maezaki, H; Imaeda, Y Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J Med Chem61:7710-7728 (2018) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cyclin-A2/Cyclin-dependent kinase 2 | |||
| Name: | Cyclin-A2/Cyclin-dependent kinase 2 | ||
| Synonyms: | CDK2-CyclinA | CDK2/A | CDK2/Cyclin A | CDK2/Cyclin A2 | Cyclin A2/dependent kinase 2 | Cyclin-Dependent Kinase 2 (CDK2) | Cyclin-Dependent Kinase 2 (CDK2A) | ||
| Type: | Protein Complex | ||
| Mol. Mass.: | n/a | ||
| Description: | Cdk2/Cyclin A kinase was purified from insect cells coinfected with Cyclin A/Cdk2 baculovirus. | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Cyclin-dependent kinase 2 | ||
| Synonyms: | CDK2 | CDK2-Kinase | CDK2_HUMAN | CDKN2 | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | Protein cereblon/Cyclin-dependent kinase 2 | p33 protein kinase | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 33938.17 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P24941 | ||
| Residue: | 298 | ||
| Sequence: |
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| Component 2 | |||
| Name: | Cyclin-A2 | ||
| Synonyms: | CCN1 | CCNA | CCNA1 | CCNA2 | CCNA2_HUMAN | Cyclin A | Cyclin-A | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 48550.19 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P20248 | ||
| Residue: | 432 | ||
| Sequence: |
| ||
| BDBM50367847 | |||
| n/a | |||
| Name | BDBM50367847 | ||
| Synonyms: | CHEMBL4167509 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H26N6O | ||
| Mol. Mass. | 414.5028 | ||
| SMILES | CC(=O)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wD:7.10,4.3,(23.25,-19.82,;21.93,-20.61,;20.58,-19.86,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;23.17,-22.98,;24.54,-22.26,;25.84,-23.08,;25.77,-24.62,;24.41,-25.34,;23.11,-24.52,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;29.49,-26.06,;31.03,-25.96,;28.51,-24.88,)| | ||
| Structure | 
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