Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 1
Ligand
BDBM50113739
Substrate
n/a
Meas. Tech.
ChEMBL_50316 (CHEMBL661621)
IC50
330000±n/a nM
Citation
 Naumann, T; Matter, H Structural classification of protein kinases using 3D molecular interaction field analysis of their ligand binding sites: target family landscapes. J Med Chem 45:2366-78 (2002) [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:
BDBM50113739
Synonyms:
2(bis-(hydroxyethyl)amino)-6-(4-methoxybenzylamino)-9-isopropyl-purine | 2-(bis-(hydroxylethyl)amino)-6-(4-methoxybenzylamino)-9-isopropylpurine | 2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-amino}-ethanol | CHEMBL80713
Type:
Small organic molecule
Emp. Form.:
C20H28N6O3
Mol. Mass.:
400.4747
SMILES:
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1
Structure:
Search PDB for entries with ligand similarity: