Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50205281'   

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))	BDBM50205281 (2,6-diphenyl-8-isopropyl-1-deazapurine | CHEMBL221...) Show SMILES CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 828-34 (2007) Article DOI: 10.1021/jm0607956 BindingDB Entry DOI: 10.7270/Q2VX0G65
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