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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 = 'BDBM50335713'   
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))		BDBM50335713
PNG
(CHEMBL1650357 | N-2,6-bis4-methoxyphenyl)pyrimidin...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H23N3O3/c1-4-5-21(26)24-20-14-19(15-6-10-17(27-2)11-7-15)23-22(25-20)16-8-12-18(28-3)13-9-16/h6-14H,4-5H2,1-3H3,(H,23,24,25,26)
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Similars
Article
PubMed
 11n/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