Reaction Details Report a problem with these data
Target
Adenosine kinase
Ligand
BDBM50201865
Substrate
n/a
Meas. Tech.
ChEMBL_435461 (CHEMBL903819)
IC50
1±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:
BDBM50201865
Synonyms:
1-(4-{5-[6-amino-5-(4-chlorophenyl)pyrimidin-4-ylethynyl]pyridin-2-yl}piperazin-1-yl)ethanone | CHEMBL225729
Type:
Small organic molecule
Emp. Form.:
C23H21ClN6O
Mol. Mass.:
432.905
SMILES:
CC(=O)N1CCN(CC1)c1ccc(cn1)C#Cc1ncnc(N)c1-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: