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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 | ||
| Ligand | BDBM50378299 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_589414 (CHEMBL1058435) | ||
| IC50 | 0.25±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: |
| ||
| BDBM50378299 | |||
| n/a | |||
| Name | BDBM50378299 | ||
| Synonyms: | CHEMBL568079 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H30FN7S | ||
| Mol. Mass. | 479.616 | ||
| SMILES | CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.5,-30.58,;31.52,-29.42,;33.03,-29.73,;31.03,-27.96,;31.93,-26.71,;31.01,-25.48,;29.56,-25.97,;28.22,-25.21,;28.22,-23.67,;26.88,-22.91,;25.55,-23.68,;25.39,-25.22,;23.89,-25.55,;23.11,-24.22,;24.13,-23.07,;21.57,-24.22,;20.81,-25.56,;19.28,-25.56,;18.5,-24.23,;19.26,-22.89,;18.49,-21.56,;20.8,-22.89,;26.89,-25.98,;26.9,-27.52,;25.57,-28.3,;25.58,-29.84,;26.91,-30.6,;26.91,-32.14,;25.57,-32.92,;25.57,-34.46,;24.24,-32.15,;24.24,-30.61,;28.24,-28.29,;29.57,-27.5,)| | ||
| Structure | 
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