Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50322713'   

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))	BDBM50322713 (5-(4-(benzyloxy)benzylidene)-3-(4-tert-butylbenzyl...) Show SMILES CC(C)(C)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 Show InChI InChI=1S/C28H27NO3S/c1-28(2,3)23-13-9-21(10-14-23)18-29-26(30)25(33-27(29)31)17-20-11-15-24(16-12-20)32-19-22-7-5-4-6-8-22/h4-17H,18-19H2,1-3H3/b25-17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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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