Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50110403'   

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))	BDBM50110403 (CHEMBL3605580) Show SMILES [Cl-].CCCCCCCCCCCCCCCCC(=C)S(=O)(=O)CCC[N+](C)(C)C Show InChI InChI=1S/C24H50NO2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)28(26,27)23-20-22-25(3,4)5/h2,6-23H2,1,3-5H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Georgia Curated by ChEMBL					Assay Description Inhibition of human ATX phosphodiesterase expressed in Sf9 cells assessed as hydrolysis of FS-3 measured after 5 to 25 mins by fluorescence assay				Bioorg Med Chem 23: 5999-6013 (2015) Article DOI: 10.1016/j.bmc.2015.06.054 BindingDB Entry DOI: 10.7270/Q2K9399W
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