Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 1
Ligand
BDBM50132198
Substrate
n/a
Meas. Tech.
ChEBML_52680
IC50
14000±n/a nM
Citation
 Moravec, J; Krystof, V; Hanus, J; Havlícek, L; Moravcová, D; Fuksová, K; Kuzma, M; Lenobel, R; Otyepka, M; Strnad, M 2,6,8,9-tetrasubstituted purines as new CDK1 inhibitors. Bioorg Med Chem Lett 13:2993-6 (2003) [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:
BDBM50132198
Synonyms:
CHEMBL103567 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-chloro-phenyl)-9-isopropyl-8-methyl-9H-purine-2,6-diamine
Type:
Small organic molecule
Emp. Form.:
C21H28ClN7
Mol. Mass.:
413.947
SMILES:
CC(C)n1c(C)nc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(3.9,-3.73,;2.41,-3.41,;1.38,-4.56,;1.92,-1.94,;2.85,-.68,;4.39,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-6.22,-2.22,;-7.55,-1.45,;-7.55,.09,;-8.88,.86,;-6.2,.86,;-4.88,.09,;-.88,-2.24,;.45,-1.47,)|
Structure:
Search PDB for entries with ligand similarity: