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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 | ||
| Ligand | BDBM50378302 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_589413 (CHEMBL1058434) | ||
| IC50 | 0.10±n/a nM | ||
| Citation |  Trova, MP; Barnes, KD; Alicea, L; Benanti, T; Bielaska, M; Bilotta, J; Bliss, B; Duong, TN; Haydar, S; Herr, RJ; Hui, Y; Johnson, M; Lehman, JM; Peace, D; Rainka, M; Snider, P; Salamone, S; Tregay, S; Zheng, X; Friedrich, TD Heterobiaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part II. Bioorg Med Chem Lett19:6613-7 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 | |||
| Name: | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 | ||
| Synonyms: | CDK2/Cyclin E/G1/S-specific cyclin E2 | Cyclin-dependent kinase 2/G1/S-specific cyclin E1 /G1/S-specific cyclin E2 | Cyclin-dependent kinase 2/cyclin E | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of EBI is 52510 | ||
| Components: | This complex has 3 components. | ||
| Component 1 | |||
| Name: | G1/S-specific cyclin-E2 | ||
| Synonyms: | CCNE2 | CCNE2_HUMAN | CDK3/cyclin E | G1/S-specific cyclin-E2 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 46763.82 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | EBI_10135 | ||
| Residue: | 404 | ||
| Sequence: |
| ||
| Component 2 | |||
| 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: |
| ||
| Component 3 | |||
| Name: | G1/S-specific cyclin-E1 | ||
| Synonyms: | CCNE | CCNE1 | CCNE1_HUMAN | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 47073.17 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 410 | ||
| Sequence: |
| ||
| BDBM50378302 | |||
| n/a | |||
| Name | BDBM50378302 | ||
| Synonyms: | CHEMBL583615 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H29N7OS | ||
| Mol. Mass. | 451.588 | ||
| SMILES | CC(C)n1cnc2c(NCc3ccc(s3)-c3ccco3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(22.14,-3.25,;23.16,-2.1,;24.67,-2.41,;22.68,-.64,;23.57,.61,;22.65,1.84,;21.2,1.36,;19.86,2.11,;19.86,3.66,;18.52,4.42,;17.19,3.64,;17.03,2.1,;15.53,1.77,;14.75,3.1,;15.77,4.25,;13.21,3.1,;12.31,1.86,;10.84,2.34,;10.84,3.88,;12.31,4.36,;18.53,1.34,;18.54,-.2,;17.21,-.97,;17.22,-2.51,;18.55,-3.28,;18.55,-4.82,;17.21,-5.59,;17.21,-7.13,;15.88,-4.82,;15.88,-3.29,;19.88,-.96,;21.21,-.18,)| | ||
| Structure | 
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