Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM258564'   

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))	BDBM258564 (US10633384, Example 12.26 | US9493486, 12.26) Show SMILES CS(=O)(=O)c1cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H24F3N3O7S/c1-39(35,36)18-9-15(8-17(11-18)25(26,27)28)12-37-23(34)30-6-4-24(5-7-30)13-31(14-24)21(32)16-2-3-19-20(10-16)38-22(33)29-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
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