Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50065780'   

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))	BDBM50065780 (Benzyl-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-...) Show SMILES Clc1ccc2nc(NCc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C20H14ClN5O/c21-14-8-9-16-15(11-14)19-24-18(17-7-4-10-27-17)25-26(19)20(23-16)22-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.5	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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