Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50439698'   

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))	BDBM50439698 (CHEMBL2418938) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 Show InChI InChI=1S/C22H14FNO5S/c23-16-7-1-13(2-8-16)12-24-20(25)19(30-22(24)28)11-17-9-10-18(29-17)14-3-5-15(6-4-14)21(26)27/h1-11H,12H2,(H,26,27)/b19-11+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 measured every 2 mins by FRET assay				Bioorg Med Chem 21: 5548-60 (2013) Article DOI: 10.1016/j.bmc.2013.05.061 BindingDB Entry DOI: 10.7270/Q2SF2XKS
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