Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50276240'   

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))	BDBM50276240 (CHEMBL471612 | N-(3-benzyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C25H17F3N6O/c26-25(27,28)19-13-11-18(12-14-19)24(35)31-22-20-23(30-21(29-22)17-9-5-2-6-10-17)34(33-32-20)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,29,30,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 1817-30 (2009) Article DOI: 10.1016/j.bmc.2009.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WPZ
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