Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50233941'   

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))	BDBM50233941 (CHEMBL4065406) Show SMILES COc1ccc2c(Sc3cccc(n3)C(O)=O)c(C)n(-c3cnn(C)c3)c2c1 Show InChI InChI=1S/C20H18N4O3S/c1-12-19(28-18-6-4-5-16(22-18)20(25)26)15-8-7-14(27-3)9-17(15)24(12)13-10-21-23(2)11-13/h4-11H,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX using bisP-nitrophenyl phosphate as substrate measured after 30 mins				J Med Chem 60: 722-748 (2017) Article DOI: 10.1021/acs.jmedchem.6b01597 BindingDB Entry DOI: 10.7270/Q2MW2KCW
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50233941 (CHEMBL4065406) Show SMILES COc1ccc2c(Sc3cccc(n3)C(O)=O)c(C)n(-c3cnn(C)c3)c2c1 Show InChI InChI=1S/C20H18N4O3S/c1-12-19(28-18-6-4-5-16(22-18)20(25)26)15-8-7-14(27-3)9-17(15)24(12)13-10-21-23(2)11-13/h4-11H,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells using LPC as substrate measured every 30 sec for 90 mins by fluorescence assay				J Med Chem 60: 722-748 (2017) Article DOI: 10.1021/acs.jmedchem.6b01597 BindingDB Entry DOI: 10.7270/Q2MW2KCW
					More data for this Ligand-Target Pair