Reaction Details | |||
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Target | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 | ||
Ligand | BDBM50378314 | ||
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: |
| ||
BDBM50378314 | |||
n/a | |||
Name | BDBM50378314 | ||
Synonyms: | CHEMBL578256 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H29N7OS | ||
Mol. Mass. | 451.588 | ||
SMILES | CC(C)n1cnc2c(NCc3ccc(s3)-c3ccoc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(3.43,-18.99,;4.46,-17.84,;5.96,-18.14,;3.97,-16.37,;4.86,-15.12,;3.95,-13.89,;2.49,-14.38,;1.16,-13.62,;1.15,-12.08,;-.19,-11.32,;-1.52,-12.09,;-1.68,-13.63,;-3.18,-13.96,;-3.96,-12.63,;-2.93,-11.48,;-5.5,-12.63,;-6.4,-13.87,;-7.86,-13.4,;-7.86,-11.86,;-6.4,-11.38,;-.18,-14.39,;-.17,-15.93,;-1.5,-16.71,;-1.49,-18.25,;-.16,-19.01,;-.16,-20.55,;-1.49,-21.33,;-1.49,-22.87,;-2.83,-20.56,;-2.83,-19.02,;1.17,-16.7,;2.5,-15.91,)| | ||
Structure |