Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50224348'   

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))	BDBM50224348 (CHEMBL235296 | N-[2-(4-chloro-phenyl)-1-oxo-1H-3,3...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C23H16ClN5O3/c1-32-17-12-8-15(9-13-17)21(30)26-23-25-18-4-2-3-5-19(18)28-22(31)20(27-29(23)28)14-6-10-16(24)11-7-14/h2-13H,1H3,(H,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
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