Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50149127'   

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))	BDBM50149127 (3-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-...) Show SMILES OC(=O)CCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H16N6O2/c28-17(29)11-10-16-24-20-18(22-12-23-20)21-25-19(26-27(16)21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Factory, Inc. Curated by ChEMBL					Assay Description Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 14: 3775-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.099 BindingDB Entry DOI: 10.7270/Q21R6PZM
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