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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50170821'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170821
PNG
(CHEMBL365026 | N*6*-Cyclooctyl-N*2*-phenyl-9H-puri...)
Show SMILES C1CCCC(CCC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
Show InChI InChI=1S/C19H24N6/c1-2-5-9-14(10-6-3-1)22-18-16-17(21-13-20-16)24-19(25-18)23-15-11-7-4-8-12-15/h4,7-8,11-14H,1-3,5-6,9-10H2,(H3,20,21,22,23,24,25)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
340n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 4910-8 (2005)


Article DOI: 10.1021/jm050221l
BindingDB Entry DOI: 10.7270/Q2N58KWZ
More data for this
Ligand-Target Pair