Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50274081'   

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))	BDBM50274081 (CHEMBL4127145) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(C2)N2CCN(CC2)C(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C24H24Cl2N4O5/c25-17-9-15(10-18(26)12-17)14-34-24(33)30-4-3-19(13-30)28-5-7-29(8-6-28)22(31)16-1-2-20-21(11-16)35-23(32)27-20/h1-2,9-12,19H,3-8,13-14H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
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