Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50322719'   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50322719 (3-benzyl-5-(4-(benzyloxy)-3-methoxybenzylidene)thi...) Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 Show InChI InChI=1S/C25H21NO4S/c1-29-22-14-20(12-13-21(22)30-17-19-10-6-3-7-11-19)15-23-24(27)26(25(28)31-23)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3/b23-15-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate				J Med Chem 53: 4958-67 (2010) Article DOI: 10.1021/jm1005012 BindingDB Entry DOI: 10.7270/Q2G73DXK
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