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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 = 'BDBM50335747'   
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))
BDBM50335747
PNG
(CHEMBL1650399 | N-(2,6-bis(2,4-dimethoxyphenyl)pyr...)
Show SMILES COc1ccc(c(OC)c1)-c1cc(NC(=O)C(C)C)nc(n1)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H27N3O5/c1-14(2)24(28)27-22-13-19(17-9-7-15(29-3)11-20(17)31-5)25-23(26-22)18-10-8-16(30-4)12-21(18)32-6/h7-14H,1-6H3,(H,25,26,27,28)
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Similars

Article
PubMed
15.9n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair