Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50315634'   

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))	BDBM50315634 (CHEMBL1091134 | N-[2-(4-Fluorophenyl)-8-methylpyra...) Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(F)cc1 Show InChI InChI=1S/C20H14FN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells				J Med Chem 53: 3361-75 (2010) Article DOI: 10.1021/jm100049f BindingDB Entry DOI: 10.7270/Q2DR2VNJ
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