Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM241116'   

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))	BDBM241116 (US9409895, 27 | US9630945, 27) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCNC(=O)c3c[nH]c(=O)o3)CC2)c1 Show InChI InChI=1S/C18H20Cl2N4O5/c19-13-7-12(8-14(20)9-13)11-28-18(27)24-5-3-23(4-6-24)2-1-21-16(25)15-10-22-17(26)29-15/h7-10H,1-6,11H2,(H,21,25)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	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))	BDBM241116 (US9409895, 27 | US9630945, 27) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCNC(=O)c3c[nH]c(=O)o3)CC2)c1 Show InChI InChI=1S/C18H20Cl2N4O5/c19-13-7-12(8-14(20)9-13)11-28-18(27)24-5-3-23(4-6-24)2-1-21-16(25)15-10-22-17(26)29-15/h7-10H,1-6,11H2,(H,21,25)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	375	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