Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50170824'   

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))	BDBM50170824 (6-N-cyclohexyl-2-N-(naphthalen-2-yl)-1H-purine-2,6...) Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc3ccccc3c2)nc2nc[nH]c12 Show InChI InChI=1S/C21H22N6/c1-2-8-16(9-3-1)24-20-18-19(23-13-22-18)26-21(27-20)25-17-11-10-14-6-4-5-7-15(14)12-17/h4-7,10-13,16H,1-3,8-9H2,(H3,22,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
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