Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50315623'   

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))	BDBM50315623 (2-(4-Bromophenyl)-8-methylpyrazolo[4,3-e]1,2,4-tri...) Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C13H10BrN7/c1-20-6-9-11(18-20)17-13(15)21-12(9)16-10(19-21)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.6	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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