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Target
Adenosine kinase
Ligand
BDBM50102926
Substrate
n/a
Meas. Tech.
ChEMBL_30642 (CHEMBL645535)
IC50
71±n/a nM
Citation
 Zheng, GZ; Lee, C; Pratt, JK; Perner, RJ; Jiang, MQ; Gomtsyan, A; Matulenko, MA; Mao, Y; Koenig, JR; Kim, KH; Muchmore, S; Yu, H; Kohlhaas, K; Alexander, KM; McGaraughty, S; Chu, KL; Wismer, CT; Mikusa, J; Jarvis, MF; Marsh, K; Kowaluk, EA; Bhagwat, SS; Stewart, AO Pyridopyrimidine analogues as novel adenosine kinase inhibitors. Bioorg Med Chem Lett 11:2071-4 (2001) [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:
BDBM50102926
Synonyms:
5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimidin-7-yl]-2,3,5,6-tetrahydro-[1,2']bipyridinyl-4-one O-(tetrahydro-pyran-4-yl)-oxime | CHEMBL65664
Type:
Small organic molecule
Emp. Form.:
C28H28BrN7O2
Mol. Mass.:
574.472
SMILES:
[#7]-c1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
Structure:
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