Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50233933'   

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))	BDBM50233933 (CHEMBL4101629) Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1C1CCCC1 Show InChI InChI=1S/C21H20ClNO2S/c1-13-20(26-17-8-4-5-14(11-17)21(24)25)18-10-9-15(22)12-19(18)23(13)16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	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))	BDBM50233933 (CHEMBL4101629) Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1C1CCCC1 Show InChI InChI=1S/C21H20ClNO2S/c1-13-20(26-17-8-4-5-14(11-17)21(24)25)18-10-9-15(22)12-19(18)23(13)16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	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