Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 1' and Ligand = 'BDBM50453240'   

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))	BDBM50453240 (CHEMBL4218881) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(S)(=S)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H15N2O13P3S2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-27(28,29)24-26(19,20)23-25(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,28,29)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Inhibition of human NPP1 using pNP-TMP as substrate preincubated for 3 mins followed by substrate addition measured after 15 mins				J Med Chem 61: 3939-3951 (2018) Article DOI: 10.1021/acs.jmedchem.7b01906 BindingDB Entry DOI: 10.7270/Q2DR2Z3M
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM50453240 (CHEMBL4218881) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(S)(=S)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H15N2O13P3S2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-27(28,29)24-26(19,20)23-25(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,28,29)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Inhibition of human NPP1 using pNP-TMP as substrate preincubated for 3 mins followed by substrate addition measured after 15 mins				J Med Chem 61: 3939-3951 (2018) Article DOI: 10.1021/acs.jmedchem.7b01906 BindingDB Entry DOI: 10.7270/Q2DR2Z3M
					More data for this Ligand-Target Pair