Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50269708'   

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))	BDBM50269708 (CHEMBL4083514) Show SMILES COc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H23Cl2N3O4S/c1-32-20-4-2-16(3-5-20)21-14-34-23(28-21)22(30)27-19-6-8-29(9-7-19)24(31)33-13-15-10-17(25)12-18(26)11-15/h2-5,10-12,14,19H,6-9,13H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
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