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Target
Adenosine kinase
Ligand
BDBM50339503
Substrate
n/a
Meas. Tech.
ChEMBL_736608 (CHEMBL1694989)
IC50
200000±n/a nM
Citation
 Butini, S; Gemma, S; Brindisi, M; Borrelli, G; Lossani, A; Ponte, AM; Torti, A; Maga, G; Marinelli, L; La Pietra, V; Fiorini, I; Lamponi, S; Campiani, G; Zisterer, DM; Nathwani, SM; Sartini, S; La Motta, C; Da Settimo, F; Novellino, E; Focher, F Non-nucleoside inhibitors of human adenosine kinase: synthesis, molecular modeling, and biological studies. J Med Chem 54:1401-20 (2011) [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:
BDBM50339503
Synonyms:
(+/-)-6-Ethyl-6-[4-[3-(2-diethylamino)ethylphenoxymethyl]-phenyl]-6,7-dihydrobenzo[b]pyrrolo[1,2-d][1,4]oxazepin-7-one | CHEMBL1688586
Type:
Small organic molecule
Emp. Form.:
C33H36N2O3
Mol. Mass.:
508.6505
SMILES:
CCN(CC)CCc1cccc(OCc2ccc(cc2)C2(CC)Oc3ccccc3-n3cccc3C2=O)c1
Structure:
Search PDB for entries with ligand similarity: