Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50308499'   

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))	BDBM50308499 (CHEMBL602722 | Ethyl 5-(4-chlorobenzoyl)-4-phenylt...) Show SMILES CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C19H15ClN2O3S/c1-2-25-19(24)22-18-21-15(12-6-4-3-5-7-12)17(26-18)16(23)13-8-10-14(20)11-9-13/h3-11H,2H2,1H3,(H,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	487	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
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