Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50347724'   

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))	BDBM50347724 (CHEMBL1802519) Show SMILES OB(O)c1ccc(COc2ccc(\C=C3/CC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 Show InChI InChI=1S/C25H21BFNO5/c27-22-9-3-18(4-10-22)15-28-24(29)14-20(25(28)30)13-17-5-11-23(12-6-17)33-16-19-1-7-21(8-2-19)26(31)32/h1-13,31-32H,14-16H2/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Cancer Institute Curated by ChEMBL					Assay Description Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...				J Med Chem 54: 4619-26 (2011) Article DOI: 10.1021/jm200310q BindingDB Entry DOI: 10.7270/Q2GT5NJ5
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