Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 1' and Ligand = 'BDBM50031817'   

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 1 (Homo sapiens (Human))	BDBM50031817 (CHEMBL3360901) Show SMILES COc1ccc(NC(=O)CSc2nc3c([nH]2)[nH]c(=O)[nH]c3=O)cc1OC Show InChI InChI=1S/C15H15N5O5S/c1-24-8-4-3-7(5-9(8)25-2)16-10(21)6-26-15-17-11-12(19-15)18-14(23)20-13(11)22/h3-5H,6H2,1-2H3,(H,16,21)(H3,17,18,19,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Inhibition of human NPP1 using p-Nph-5'-TMP 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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50031817 (CHEMBL3360901) Show SMILES COc1ccc(NC(=O)CSc2nc3c([nH]2)[nH]c(=O)[nH]c3=O)cc1OC Show InChI InChI=1S/C15H15N5O5S/c1-24-8-4-3-7(5-9(8)25-2)16-10(21)6-26-15-17-11-12(19-15)18-14(23)20-13(11)22/h3-5H,6H2,1-2H3,(H,16,21)(H3,17,18,19,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	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 NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis				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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50031817 (CHEMBL3360901) Show SMILES COc1ccc(NC(=O)CSc2nc3c([nH]2)[nH]c(=O)[nH]c3=O)cc1OC Show InChI InChI=1S/C15H15N5O5S/c1-24-8-4-3-7(5-9(8)25-2)16-10(21)6-26-15-17-11-12(19-15)18-14(23)20-13(11)22/h3-5H,6H2,1-2H3,(H,16,21)(H3,17,18,19,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+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 NPP1 using ATP as substrate by Lineweaver-Burk plot analysis				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