Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50117166
Substrate
n/a
Meas. Tech.
ChEMBL_305608 (CHEMBL828146)
IC50
30±n/a nM
Citation
 Gomtsyan, A; Didomenico, S; Lee, CH; Stewart, AO; Bhagwat, SS; Kowaluk, EA; Jarvis, MF Synthesis and biological evaluation of pteridine and pyrazolopyrimidine based adenosine kinase inhibitors. Bioorg Med Chem Lett 14:4165-8 (2004) [PubMed]  Article 
Target
Name:
Adenosine kinase
Synonyms:
ADK | ADK_HUMAN
Type:
PROTEIN
Mol. Mass.:
40545.97
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1467841
Residue:
362
Sequence:
MAAAEEEPKPKKLKVEAPQALRENILFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSIKVAQWMIQQPHKAATFFGCIGIDKFGEILKRKAAEAHVDAHYYEQNEQPTGTCAACITGDNRSLIANLAAANCYKKEKHLDLEKNWMLVEKARVCYIAGFFLTVSPESVLKVAHHASENNRIFTLNLSAPFISQFYKESLMKVMPYVDILFGNETEAATFAREQGFETKDIKEIAKKTQALPKMNSKRQRIVIFTQGRDDTIMATESEVTAFAVLDQDQKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCTFPEKPDFH
  
Inhibitor
Name:
BDBM50117166
Synonyms:
CHEMBL120976 | N*5*-Benzyl-N*5*-methyl-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidine-4,5-diamine
Type:
Small organic molecule
Emp. Form.:
C23H24N6O
Mol. Mass.:
400.4763
SMILES:
CN(Cc1ccccc1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: