Reaction Details | |||
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Target | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 | ||
Ligand | BDBM50378308 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_589413 (CHEMBL1058434) | ||
IC50 | 0.20±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: |
| ||
BDBM50378308 | |||
n/a | |||
Name | BDBM50378308 | ||
Synonyms: | CHEMBL568509 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H31N7S | ||
Mol. Mass. | 461.626 | ||
SMILES | CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.23,-29.29,;1.25,-28.14,;2.76,-28.45,;.76,-26.68,;1.66,-25.43,;.74,-24.2,;-.71,-24.68,;-2.05,-23.93,;-2.06,-22.39,;-3.39,-21.62,;-4.72,-22.4,;-4.72,-23.94,;-6.05,-24.71,;-7.38,-23.95,;-7.39,-22.41,;-6.07,-21.63,;-8.71,-24.73,;-8.87,-26.26,;-10.37,-26.58,;-11.15,-25.25,;-10.12,-24.11,;-3.38,-24.7,;-3.37,-26.24,;-4.7,-27.01,;-4.7,-28.55,;-3.37,-29.31,;-3.36,-30.86,;-4.7,-31.63,;-4.7,-33.17,;-6.03,-30.86,;-6.04,-29.33,;-2.03,-27,;-.7,-26.22,)| | ||
Structure |