Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 | ||
Ligand | BDBM50378292 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_589414 (CHEMBL1058435) | ||
IC50 | 0.07±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: |
| ||
BDBM50378292 | |||
n/a | |||
Name | BDBM50378292 | ||
Synonyms: | CHEMBL566106 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H30N10 | ||
Mol. Mass. | 446.5513 | ||
SMILES | CC(C)n1cnc2c(NCc3ccc(nc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(46.25,-43.57,;47.27,-42.41,;48.78,-42.72,;46.78,-40.95,;47.68,-39.7,;46.76,-38.47,;45.31,-38.95,;43.97,-38.2,;43.97,-36.66,;42.63,-35.89,;41.3,-36.67,;39.97,-35.91,;38.64,-36.68,;38.65,-38.22,;39.99,-38.99,;41.32,-38.21,;37.31,-39.01,;35.9,-38.39,;34.88,-39.54,;35.66,-40.87,;37.16,-40.54,;42.64,-38.97,;42.65,-40.51,;41.32,-41.29,;41.33,-42.83,;42.66,-43.59,;42.66,-45.13,;41.32,-45.91,;41.32,-47.45,;39.99,-45.13,;39.99,-43.6,;43.99,-41.28,;45.32,-40.49,)| | ||
Structure |