Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50054669'   

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))	BDBM50054669 (4-(2,2-Diphenyl-vinyl)-2-methyl-6-phenyl-1,4-dihyd...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6]-1-[#6](\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6](-[#6](=O)-[#8]-[#6]-[#6])=[#6](-[#7]=[#6]-1-[#6])-c1ccccc1 |c:28,30| Show InChI InChI=1S/C32H31NO4/c1-4-36-31(34)28-22(3)33-30(25-19-13-8-14-20-25)29(32(35)37-5-2)27(28)21-26(23-15-9-6-10-16-23)24-17-11-7-12-18-24/h6-21,27-28H,4-5H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+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 Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells				J Med Chem 39: 4667-75 (1996) Article DOI: 10.1021/jm960457c BindingDB Entry DOI: 10.7270/Q2VQ33BG
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