Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM241109'   

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))	BDBM241109 (US9409895, 20 | US9630945, 20) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)c1 Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)27-7-5-17(6-8-27)24-19(28)4-2-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,28)(H,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	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))	BDBM241109 (US9409895, 20 | US9630945, 20) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)c1 Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)27-7-5-17(6-8-27)24-19(28)4-2-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,28)(H,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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