Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM241107'   

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))	BDBM241107 (US9409895, 18 | US9630945, 18) Show SMILES CN(C1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)CCCc1c[nH]nn1 Show InChI InChI=1S/C20H25Cl2N5O3/c1-26(19(28)4-2-3-17-12-23-25-24-17)18-5-7-27(8-6-18)20(29)30-13-14-9-15(21)11-16(22)10-14/h9-12,18H,2-8,13H2,1H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241107 (US9409895, 18 | US9630945, 18) Show SMILES CN(C1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)CCCc1c[nH]nn1 Show InChI InChI=1S/C20H25Cl2N5O3/c1-26(19(28)4-2-3-17-12-23-25-24-17)18-5-7-27(8-6-18)20(29)30-13-14-9-15(21)11-16(22)10-14/h9-12,18H,2-8,13H2,1H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair