Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50415447'   

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))	BDBM50415447 (CHEMBL597973) Show SMILES CCCn1c(=O)n(CCS(=O)(=O)CC)c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C18H22N4O4S/c1-3-10-22-17(23)14-16(20-15(19-14)13-8-6-5-7-9-13)21(18(22)24)11-12-27(25,26)4-2/h5-9H,3-4,10-12H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Porto Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in human HeLa cells by microplate beta scintillation counter				Bioorg Med Chem 18: 2001-9 (2010) Article DOI: 10.1016/j.bmc.2010.01.028 BindingDB Entry DOI: 10.7270/Q2QJ7JJ3
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