Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50264230'   

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)	BDBM50264230 (CHEMBL4095062) Show SMILES COc1ccc(cc1)C(=O)NCCCCC(=O)Nc1ccc(CC(=O)NO)cc1 Show InChI InChI=1S/C21H25N3O5/c1-29-18-11-7-16(8-12-18)21(27)22-13-3-2-4-19(25)23-17-9-5-15(6-10-17)14-20(26)24-28/h5-12,28H,2-4,13-14H2,1H3,(H,22,27)(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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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