Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50439699'   

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))	BDBM50439699 (CHEMBL2418941) Show SMILES CC(C)C1N(C(=O)CN2CCCCC2)c2ccc(cc2NC1=O)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C25H32N4O4S/c1-18(2)24-25(31)27-21-15-20(34(32,33)26-16-19-9-5-3-6-10-19)11-12-22(21)29(24)23(30)17-28-13-7-4-8-14-28/h3,5-6,9-12,15,18,24,26H,4,7-8,13-14,16-17H2,1-2H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+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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