Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50110972'   

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))	BDBM50110972 (3-[4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-pur...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(C=CC(=O)OC)cc1 |w:19.21| Show InChI InChI=1S/C18H18N4O4/c1-3-10-22-17(24)14-16(21-18(22)25)20-15(19-14)12-7-4-11(5-8-12)6-9-13(23)26-2/h4-9H,3,10H2,1-2H3,(H,19,20)(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-PSB-11 binding to human Adenosine A3 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
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