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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-A2/Cyclin-dependent kinase 2 | ||
| Ligand | BDBM50367856 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1735964 (CHEMBL4151500) | ||
| IC50 | 1600±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: |
| ||
| BDBM50367856 | |||
| n/a | |||
| Name | BDBM50367856 | ||
| Synonyms: | CHEMBL4166407 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H26N6O2 | ||
| Mol. Mass. | 430.5022 | ||
| SMILES | COC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:5.4,wD:8.11,(21.69,-21.38,;23.01,-20.6,;24.35,-21.36,;25.68,-20.58,;24.28,-22.9,;22.96,-23.68,;22.97,-25.22,;21.64,-26,;20.3,-25.24,;20.29,-23.7,;21.62,-22.92,;18.97,-26.02,;17.63,-25.26,;16.31,-26.04,;14.96,-25.28,;14.95,-23.74,;16.28,-22.96,;17.62,-23.72,;13.61,-22.98,;12.27,-22.22,;25.59,-23.73,;26.96,-23.02,;28.26,-23.85,;28.19,-25.39,;26.81,-26.1,;25.52,-25.27,;29.48,-26.22,;29.57,-27.75,;31.07,-28.14,;31.89,-26.85,;33.44,-26.75,;30.92,-25.66,)| | ||
| Structure | 
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