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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 = 'BDBM50065755'   
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))		BDBM50065755
PNG
(CHEMBL319539 | [2-(9-Chloro-2-furan-2-yl-[1,2,4]tr...)
Show SMILES CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H21ClN6O4/c1-21(2,3)32-20(30)23-9-8-16(29)25-19-24-14-7-6-12(22)11-13(14)18-26-17(27-28(18)19)15-5-4-10-31-15/h4-7,10-11H,8-9H2,1-3H3,(H,23,30)(H,24,25,29)
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Similars
Article
PubMed
 6.71n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand

J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair