Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50065776'   

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))	BDBM50065776 (CHEMBL317373 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C22H16ClN5O3/c1-30-15-7-4-13(5-8-15)11-19(29)25-22-24-17-9-6-14(23)12-16(17)21-26-20(27-28(21)22)18-3-2-10-31-18/h2-10,12H,11H2,1H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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