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Target
Cyclin-dependent kinase 1
Ligand
BDBM50437257
Substrate
n/a
Meas. Tech.
ChEMBL_969560 (CHEMBL2406224)
IC50
184±n/a nM
Citation
 Gucký, T; Jorda, R; Zatloukal, M; Bazgier, V; Berka, K; Reznícková, E; Béres, T; Strnad, M; Kryštof, V A novel series of highly potent 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitors. J Med Chem 56:6234-47 (2013) [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:
BDBM50437257
Synonyms:
CHEMBL2403090
Type:
Small organic molecule
Emp. Form.:
C28H34N8
Mol. Mass.:
482.6232
SMILES:
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2)c2ncn(C3CCCC3)c2n1 |(24.6,-12.07,;23.07,-12.08,;22.3,-13.42,;20.76,-13.43,;19.99,-12.1,;20.73,-10.75,;22.28,-10.75,;18.45,-12.11,;17.66,-10.78,;16.12,-10.8,;15.34,-9.46,;13.8,-9.48,;13.01,-8.15,;11.47,-8.17,;10.69,-6.84,;9.14,-6.87,;8.39,-8.2,;9.18,-9.52,;10.72,-9.51,;6.86,-8.22,;6.08,-6.9,;4.54,-6.91,;3.79,-8.25,;4.58,-9.58,;6.11,-9.55,;16.09,-8.12,;15.6,-6.66,;16.83,-5.75,;18.09,-6.63,;19.55,-6.14,;20.81,-7.03,;22.04,-6.1,;21.55,-4.64,;20,-4.67,;17.63,-8.1,;18.42,-9.43,)|
Structure:
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