Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 1
Ligand
BDBM65549
Substrate
n/a
Meas. Tech.
ChEMBL_856500 (CHEMBL2161546)
IC50
<5.2±n/a nM
Citation
 Gopalsamy, A; Bennett, EM; Shi, M; Zhang, WG; Bard, J; Yu, K Identification of pyrimidine derivatives as hSMG-1 inhibitors. Bioorg Med Chem Lett 22:6636-41 (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:
BDBM65549
Synonyms:
3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol | 3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]amino]propan-1-ol | 3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol | 3-[[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol | MLS000911536 | SMR000463552 | cid_644215
Type:
Small organic molecule
Emp. Form.:
C18H18ClN5O
Mol. Mass.:
355.821
SMILES:
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
Structure:
Search PDB for entries with ligand similarity: