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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 = 'BDBM50183522'   
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))		BDBM50183522
PNG
(5-[[(2-methyl-thiophen-3-yl)amino]carbonyl]amino-8...)
Show SMILES Cc1sccc1NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H14N8O2S/c1-9-11(5-7-28-9)18-17(26)21-16-20-13-10(8-24(2)22-13)15-19-14(23-25(15)16)12-4-3-6-27-12/h3-8H,1-2H3,(H2,18,20,21,22,26)
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Similars
Article
PubMed
 3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in HEK293 cells

J Med Chem 49: 1720-9 (2006)


Article DOI: 10.1021/jm051147+
BindingDB Entry DOI: 10.7270/Q26974CT
More data for this
Ligand-Target Pair