Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50066283'   

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))	BDBM50066283 (2-Cyclopentyl-6-methyl-4-phenylethynyl-pyridine-3,...) Show SMILES CCOC(=O)c1c(C)nc(C2CCCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1 Show InChI InChI=1S/C30H29NO4/c1-3-34-29(32)26-21(2)31-28(24-16-10-11-17-24)27(25(26)19-18-22-12-6-4-7-13-22)30(33)35-20-23-14-8-5-9-15-23/h4-9,12-15,24H,3,10-11,16-17,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.85E+3	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 human Adenosine A3 receptor as displacement of [125I]AB-MECA from HEK293 cell membranes				J Med Chem 41: 3186-201 (1998) Article DOI: 10.1021/jm980093j BindingDB Entry DOI: 10.7270/Q23F4QBQ
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