Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50458133'   

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))	BDBM50458133 (CHEMBL4216825) Show SMILES OP(O)(=O)Cc1csc(n1)C(=O)NC1CCN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C17H18Cl2N3O6PS/c18-11-3-10(4-12(19)5-11)7-28-17(24)22-2-1-13(6-22)20-15(23)16-21-14(9-30-16)8-29(25,26)27/h3-5,9,13H,1-2,6-8H2,(H,20,23)(H2,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Eur J Med Chem 148: 397-409 (2018) Article DOI: 10.1016/j.ejmech.2018.02.049 BindingDB Entry DOI: 10.7270/Q2VH5RGT
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50458133 (CHEMBL4216825) Show SMILES OP(O)(=O)Cc1csc(n1)C(=O)NC1CCN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C17H18Cl2N3O6PS/c18-11-3-10(4-12(19)5-11)7-28-17(24)22-2-1-13(6-22)20-15(23)16-21-14(9-30-16)8-29(25,26)27/h3-5,9,13H,1-2,6-8H2,(H,20,23)(H2,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of human ENPP2 using bis-pNPP as substrate measured every 10 secs for 10 mins by spectrophotometric assay				Eur J Med Chem 148: 397-409 (2018) Article DOI: 10.1016/j.ejmech.2018.02.049 BindingDB Entry DOI: 10.7270/Q2VH5RGT
					More data for this Ligand-Target Pair