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Target
Cyclin-dependent kinase 1
Ligand
BDBM50379506
Substrate
n/a
Meas. Tech.
ChEMBL_812218 (CHEMBL2013813)
IC50
38±n/a nM
Citation
 Le Brazidec, JY; Pasis, A; Tam, B; Boykin, C; Black, C; Wang, D; Claassen, G; Chong, JH; Chao, J; Fan, J; Nguyen, K; Silvian, L; Ling, L; Zhang, L; Choi, M; Teng, M; Pathan, N; Zhao, S; Li, T; Taveras, A Synthesis, SAR and biological evaluation of 1,6-disubstituted-1H-pyrazolo[3,4-d]pyrimidines as dual inhibitors of Aurora kinases and CDK1. Bioorg Med Chem Lett 22:2070-4 (2012) [PubMed]  Article 
Target
Name:
Cyclin-dependent kinase 1
Synonyms:
CDC2 | CDC28A | CDK1 | CDK1_HUMAN | CDKN1 | Cell division control protein 2 homolog | Cell division protein kinase 1 | Cyclin-dependent kinase 1 (CDK1) | P34CDC2 | p34 protein kinase
Type:
Enzyme Subunit
Mol. Mass.:
34101.08
Organism:
Homo sapiens (Human)
Description:
P06493
Residue:
297
Sequence:
MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIREISLLKELRHPNIVSLQDVLMQDSRLYLIFEFLSMDLKKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCHSRRVLHRDLKPQNLLIDDKGTIKLADFGLARAFGIPIRVYTHEVVTLWYRSPEVLLGSARYSTPVDIWSIGTIFAELATKKPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNTFPKWKPGSLASHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYFNDLDNQIKKM
  
Inhibitor
Name:
BDBM50379506
Synonyms:
CHEMBL2012397
Type:
Small organic molecule
Emp. Form.:
C21H25N7O
Mol. Mass.:
391.4695
SMILES:
Cn1cc(Nc2ncc3cnn(C4C5CC6CC(C5)CC4C6)c3n2)cc1C(N)=O |THB:19:17:14:12.21.20,16:17:12:14.15.21,(-6.38,-15.11,;-7.29,-13.87,;-6.81,-12.4,;-8.06,-11.49,;-8.06,-9.95,;-6.73,-9.18,;-6.72,-7.63,;-5.39,-6.86,;-4.06,-7.63,;-2.59,-7.14,;-1.67,-8.38,;-2.58,-9.64,;-2.58,-11.18,;-3.92,-11.94,;-3.92,-13.48,;-2.58,-14.26,;-3.29,-13.44,;-2.59,-12.34,;-3.35,-12.69,;-2.07,-12.75,;-1.24,-11.94,;-1.25,-13.49,;-4.05,-9.17,;-5.39,-9.95,;-9.3,-12.39,;-8.83,-13.87,;-9.88,-15,;-11.39,-14.66,;-9.41,-16.47,)|
Structure:
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