Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50211683'   

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))	BDBM50211683 (1-(cyclopropylmethyl)-5-{[4'-(2-furyl)-4,5'-bipyri...) Show SMILES O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1 Show InChI InChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26)	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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