Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50264240'   

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 (Mus musculus)	BDBM50264240 (CHEMBL4087374) Show SMILES ONC(=O)CC[C@H](NC(=O)CCCCC(=O)Nc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C17H24N4O6/c22-14(18-12-6-2-1-3-7-12)8-4-5-9-15(23)19-13(17(25)21-27)10-11-16(24)20-26/h1-3,6-7,13,26-27H,4-5,8-11H2,(H,18,22)(H,19,23)(H,20,24)(H,21,25)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
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