Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 3' and Ligand = 'BDBM50031827'   

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))	BDBM50031827 (CHEMBL3360884) Show SMILES COc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2n1 Show InChI InChI=1S/C17H18N4O4S/c1-23-12-6-4-10(8-13(12)24-2)18-14(22)9-26-17-19-11-5-7-15(25-3)20-16(11)21-17/h4-8H,9H2,1-3H3,(H,18,22)(H,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Competitive inhibition of human NPP3 using ATP as substrate				J Med Chem 57: 10080-100 (2014) Article DOI: 10.1021/jm501434y BindingDB Entry DOI: 10.7270/Q2377B9S
					More data for this Ligand-Target Pair