Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50424516'   

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))	BDBM50424516 (CHEMBL2311744) Show SMILES COc1ccc(\C=C\c2cc(NC(C)=O)nc(\C=C\c3ccc(OC)cc3)n2)cc1 Show InChI InChI=1S/C24H23N3O3/c1-17(28)25-24-16-20(10-4-18-5-11-21(29-2)12-6-18)26-23(27-24)15-9-19-7-13-22(30-3)14-8-19/h4-16H,1-3H3,(H,25,26,27,28)/b10-4+,15-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
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