Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50318288'   

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))	BDBM50318288 (1-(4-methoxyphenyl)-3-(2-phenethyl-6-phenyl-2H-pyr...) Show SMILES COc1ccc(NC(=O)Nc2nc(nc3nn(CCc4ccccc4)cc23)-c2ccccc2)cc1 Show InChI InChI=1S/C27H24N6O2/c1-35-22-14-12-21(13-15-22)28-27(34)31-25-23-18-33(17-16-19-8-4-2-5-9-19)32-26(23)30-24(29-25)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H2,28,29,30,31,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3954-63 (2010) Article DOI: 10.1021/jm901785w BindingDB Entry DOI: 10.7270/Q2N017HH
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