Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM14488
Substrate
n/a
Meas. Tech.
ChEMBL_435462 (CHEMBL903820)
IC50
68±n/a nM
Citation
 Matulenko, MA; Paight, ES; Frey, RR; Gomtsyan, A; DiDomenico, S; Jiang, M; Lee, CH; Stewart, AO; Yu, H; Kohlhaas, KL; Alexander, KM; McGaraughty, S; Mikusa, J; Marsh, KC; Muchmore, SW; Jakob, CL; Kowaluk, EA; Jarvis, MF; Bhagwat, SS 4-amino-5-aryl-6-arylethynylpyrimidines: structure-activity relationships of non-nucleoside adenosine kinase inhibitors. Bioorg Med Chem 15:1586-605 (2007) [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:
BDBM14488
Synonyms:
5-[4-(dimethylamino)phenyl]-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine | CHEMBL216697 | [5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine] | alkynylpyrimidine 2
Type:
Small organic molecule
Emp. Form.:
C23H24N6O
Mol. Mass.:
400.4763
SMILES:
CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: