Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM258488'   

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))	BDBM258488 (US10633384, Example 1.09 | US9493486, 1.09) Show SMILES CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1 Show InChI InChI=1S/C23H24ClN5O5S/c1-35(32,33)18-9-15(8-17(24)11-18)12-34-22(31)28-6-4-23(5-7-28)13-29(14-23)21(30)16-2-3-19-20(10-16)26-27-25-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50.5	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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