Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50355169'   

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))	BDBM50355169 (CHEMBL1834627) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72	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 recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs				Bioorg Med Chem 19: 6120-34 (2011) Article DOI: 10.1016/j.bmc.2011.08.026 BindingDB Entry DOI: 10.7270/Q2GX4BZG
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