Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50458126'   

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))	BDBM50458126 (CHEMBL4203076) Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C22H24F3N2O7P/c23-22(24,25)34-19-7-3-15(4-8-19)13-33-21(29)27-11-9-17(10-12-27)20(28)26-18-5-1-16(2-6-18)14-35(30,31)32/h1-8,17H,9-14H2,(H,26,28)(H2,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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))	BDBM50458126 (CHEMBL4203076) Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C22H24F3N2O7P/c23-22(24,25)34-19-7-3-15(4-8-19)13-33-21(29)27-11-9-17(10-12-27)20(28)26-18-5-1-16(2-6-18)14-35(30,31)32/h1-8,17H,9-14H2,(H,26,28)(H2,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	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