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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 = 'BDBM50117218'   
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))		BDBM50117218
PNG
(5-Butyl-8-methyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2ncnc2c2nc(C)[nH]n12
Show InChI InChI=1S/C11H14N6/c1-3-4-5-8-15-10-9(12-6-13-10)11-14-7(2)16-17(8)11/h6H,3-5H2,1-2H3,(H,14,16)
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n/an/a 610n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair