Reaction Details | |||
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Target | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 | ||
Ligand | BDBM50378298 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_589414 (CHEMBL1058435) | ||
IC50 | 0.15±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: |
| ||
BDBM50378298 | |||
n/a | |||
Name | BDBM50378298 | ||
Synonyms: | CHEMBL583421 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H31N7O | ||
Mol. Mass. | 445.5599 | ||
SMILES | CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccco3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(15.33,-28.96,;16.35,-27.81,;17.86,-28.11,;15.86,-26.35,;16.75,-25.1,;15.84,-23.86,;14.38,-24.35,;13.05,-23.59,;13.04,-22.05,;11.7,-21.29,;10.37,-22.06,;10.38,-23.61,;9.05,-24.38,;7.71,-23.61,;7.7,-22.08,;9.03,-21.3,;6.38,-24.39,;6.23,-25.92,;4.72,-26.25,;3.95,-24.92,;4.97,-23.77,;11.72,-24.37,;11.72,-25.9,;10.39,-26.68,;10.4,-28.22,;11.73,-28.98,;11.73,-30.53,;10.4,-31.3,;10.4,-32.84,;9.06,-30.53,;9.06,-28.99,;13.06,-26.67,;14.4,-25.88,)| | ||
Structure |