Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50315632'   

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))	BDBM50315632 (2-(4-Methoxyphenyl)-8-phenylethylpyrazolo[4,3-e]1,...) Show SMILES COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(N)n2n1 Show InChI InChI=1S/C21H19N7O/c1-29-16-9-7-15(8-10-16)18-23-20-17-13-27(12-11-14-5-3-2-4-6-14)25-19(17)24-21(22)28(20)26-18/h2-10,13H,11-12H2,1H3,(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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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