Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 | ||
| Ligand | BDBM50378310 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_589414 (CHEMBL1058435) | ||
| IC50 | 0.50±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-A1/Cyclin-A2/Cyclin-dependent kinase 2 | |||
| Name: | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 | ||
| Synonyms: | CDK2/Cyclin A/Cyclin A1 | Cyclin A1/A2/dependent kinase 2 | Cyclin-dependent kinase 2/cyclin A | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of EBI is 42813 | ||
| Components: | This complex has 3 components. | ||
| Component 1 | |||
| 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: |
| ||
| Component 2 | |||
| Name: | Cyclin-A1 | ||
| Synonyms: | CCNA1 | CCNA1_HUMAN | CDK2/Cyclin A1 | Cyclin-A1 | Cyclin-A1/Cyclin-dependent kinase 4 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 52343.37 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P78396 | ||
| Residue: | 465 | ||
| Sequence: |
| ||
| Component 3 | |||
| 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 4 | |||
| 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: |
| ||
| BDBM50378310 | |||
| n/a | |||
| Name | BDBM50378310 | ||
| Synonyms: | CHEMBL566971 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H33N7S | ||
| Mol. Mass. | 475.652 | ||
| SMILES | CC(C)n1cnc2c(NCc3ccc(cc3)-c3cc(C)cs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(14.74,-43.79,;15.76,-42.64,;17.27,-42.95,;15.27,-41.18,;16.16,-39.93,;15.25,-38.69,;13.79,-39.18,;12.46,-38.42,;12.45,-36.88,;11.11,-36.12,;9.78,-36.9,;9.79,-38.44,;8.46,-39.21,;7.12,-38.44,;7.11,-36.91,;8.44,-36.13,;5.79,-39.22,;5.64,-40.76,;4.13,-41.08,;3.51,-42.49,;3.36,-39.75,;4.38,-38.6,;11.13,-39.2,;11.13,-40.74,;9.8,-41.51,;9.81,-43.05,;11.14,-43.81,;11.14,-45.36,;9.81,-46.13,;9.81,-47.67,;8.47,-45.36,;8.47,-43.83,;12.47,-41.5,;13.8,-40.72,)| | ||
| Structure | 
| ||