Reaction Details | |||
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Target | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 | ||
Ligand | BDBM50378316 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_589413 (CHEMBL1058434) | ||
IC50 | 0.30±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: |
| ||
BDBM50378316 | |||
n/a | |||
Name | BDBM50378316 | ||
Synonyms: | CHEMBL568291 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H30FN7S | ||
Mol. Mass. | 479.616 | ||
SMILES | CC(C)n1cnc2c(NCc3ccc(s3)-c3ccc(F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(1.15,-48.84,;2.17,-47.69,;3.68,-47.99,;1.68,-46.23,;2.57,-44.98,;1.66,-43.74,;.2,-44.23,;-1.13,-43.47,;-1.14,-41.93,;-2.48,-41.17,;-3.8,-41.94,;-3.96,-43.48,;-5.47,-43.81,;-6.24,-42.48,;-5.22,-41.33,;-7.78,-42.48,;-8.56,-41.15,;-10.09,-41.15,;-10.85,-42.49,;-12.39,-42.49,;-10.08,-43.82,;-8.55,-43.82,;-2.46,-44.25,;-2.45,-45.78,;-3.78,-46.56,;-3.78,-48.1,;-2.45,-48.86,;-2.45,-50.41,;-3.78,-51.18,;-3.78,-52.72,;-5.11,-50.41,;-5.12,-48.87,;-1.12,-46.55,;.22,-45.76,)| | ||
Structure |