Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 1' and Ligand = 'BDBM50031830'   

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))	BDBM50031830 (CHEMBL3360880) Show SMILES COc1ccc(NC(=O)CSc2nc3nccnc3[nH]2)cc1OC Show InChI InChI=1S/C15H15N5O3S/c1-22-10-4-3-9(7-11(10)23-2)18-12(21)8-24-15-19-13-14(20-15)17-6-5-16-13/h3-7H,8H2,1-2H3,(H,18,21)(H,16,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	131	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))	BDBM50031830 (CHEMBL3360880) Show SMILES COc1ccc(NC(=O)CSc2nc3nccnc3[nH]2)cc1OC Show InChI InChI=1S/C15H15N5O3S/c1-22-10-4-3-9(7-11(10)23-2)18-12(21)8-24-15-19-13-14(20-15)17-6-5-16-13/h3-7H,8H2,1-2H3,(H,18,21)(H,16,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	131	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))	BDBM50031830 (CHEMBL3360880) Show SMILES COc1ccc(NC(=O)CSc2nc3nccnc3[nH]2)cc1OC Show InChI InChI=1S/C15H15N5O3S/c1-22-10-4-3-9(7-11(10)23-2)18-12(21)8-24-15-19-13-14(20-15)17-6-5-16-13/h3-7H,8H2,1-2H3,(H,18,21)(H,16,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02E+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