Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50150304
Substrate
n/a
Meas. Tech.
ChEMBL_305608 (CHEMBL828146)
IC50
82±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:
BDBM50150304
Synonyms:
3-(3-Bromo-phenyl)-1-methyl-4-(6-morpholin-4-yl-pyridin-3-ylethynyl)-1H-pyrazolo[3,4-d]pyrimidine | CHEMBL181551
Type:
Small organic molecule
Emp. Form.:
C23H19BrN6O
Mol. Mass.:
475.341
SMILES:
Cn1nc(-c2cccc(Br)c2)c2c(ncnc12)C#Cc1ccc(nc1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: