Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50211681'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50211681 (4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyri...) Show SMILES COc1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1 Show InChI InChI=1S/C18H14N6O2/c1-25-16-5-4-12(9-20-16)23-18-21-10-13(14-6-7-19-11-22-14)17(24-18)15-3-2-8-26-15/h2-11H,1H3,(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Almirall Curated by ChEMBL					Assay Description Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells				J Med Chem 50: 2732-6 (2007) Checked by Author Article DOI: 10.1021/jm061333v BindingDB Entry DOI: 10.7270/Q2862G32
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