Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 3' and Ligand = 'BDBM50510619'   

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 3 (Homo sapiens (Human))	BDBM50510619 (CHEMBL4585698) Show SMILES Fc1ccc(cc1)S(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1 Show InChI InChI=1S/C19H20FNO4S/c20-15-6-12-18(13-7-15)26(23,24)25-17-10-8-16(9-11-17)21-19(22)14-4-2-1-3-5-14/h6-14H,1-5H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	254	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of human NPP3 expressed in African green monkey COS7 cell membranes pre-incubated for 10 mins before pNP-TMP substrate addition and furthe...				Bioorg Med Chem 27: 2741-2752 (2019) Article DOI: 10.1016/j.bmc.2019.04.031 BindingDB Entry DOI: 10.7270/Q2Q52SX7
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