Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50095367
Substrate
n/a
Meas. Tech.
ChEMBL_31128 (CHEMBL643556)
IC50
0.230000±n/a nM
Citation
 Cowart, M; Lee, CH; Gfesser, GA; Bayburt, EK; Bhagwat, SS; Stewart, AO; Yu, H; Kohlhaas, KL; McGaraughty, S; Wismer, CT; Mikusa, J; Zhu, C; Alexander, KM; Jarvis, MF; Kowaluk, EA Structure-activity studies of 5-substituted pyridopyrimidines as adenosine kinase inhibitors. Bioorg Med Chem Lett 11:83-6 (2001) [PubMed]  Article 
Target
Name:
Adenosine kinase
Synonyms:
ADENOSINE | ADK_RAT | Adenosine 5-phosphotransferase | Adenosine Kinase (AK) | Adenosine kinase | Adk
Type:
Enzyme
Mol. Mass.:
40130.14
Organism:
Rattus norvegicus (rat)
Description:
Rat brain cytosol as enzyme source.
Residue:
361
Sequence:
MAAADEPKPKKLKVEAPEALSENVLFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSMKVAQWMIQEPHRAATFFGCIGIDKFGEILKSKAADAHVDAHYYEQNEQPTGTCAACITGGNRSLVANLAAANCYKKEKHLDLENNWMLVEKARVYYIAGFFLTVSPESVLKVARYAAENNRTFTLNLSAPFISQFFKEALMEVMPYVDILFGNETEAATFAREQGFETKDIKEIARKTQALPKVNSKRQRTVIFTQGRDDTIVATGNDVTAFPVLDQNQEEIVDTNGAGDAFVGGFLSQLVSNKPLTECIRAGHYAASVIIRRTGCTFPEKPDFH
  
Inhibitor
Name:
BDBM50095367
Synonyms:
5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine | CHEMBL169385
Type:
Small organic molecule
Emp. Form.:
C24H30N6O
Mol. Mass.:
418.5346
SMILES:
CC1CCCC(C1C)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: