Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 | ||
| Ligand | BDBM50378303 | ||
| 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: |
| ||
| BDBM50378303 | |||
| n/a | |||
| Name | BDBM50378303 | ||
| Synonyms: | CHEMBL567208 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H30N8S | ||
| Mol. Mass. | 462.614 | ||
| SMILES | CC(C)n1cnc2c(NCc3ccc(s3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(23.68,-16.97,;24.7,-15.81,;26.21,-16.12,;24.21,-14.35,;25.11,-13.1,;24.19,-11.87,;22.74,-12.35,;21.4,-11.6,;21.39,-10.06,;20.06,-9.29,;18.73,-10.07,;18.57,-11.61,;17.07,-11.94,;16.29,-10.61,;17.31,-9.46,;14.75,-10.61,;13.98,-11.94,;12.46,-11.95,;11.68,-10.61,;12.44,-9.28,;13.98,-9.28,;20.07,-12.37,;20.08,-13.91,;18.75,-14.69,;18.75,-16.23,;20.08,-16.99,;20.09,-18.53,;18.75,-19.31,;18.75,-20.85,;17.42,-18.53,;17.41,-17,;21.42,-14.68,;22.75,-13.89,)| | ||
| Structure | 
| ||