Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM258514'   

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))	BDBM258514 (US10633384, Example 3.4 | US9493486, 3.4) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC3(CC(C3)NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 Show InChI InChI=1S/C21H19Cl2N3O6S/c22-13-3-12(4-14(23)5-13)9-31-20(28)26-10-21(11-26)7-15(8-21)25-33(29,30)16-1-2-17-18(6-16)32-19(27)24-17/h1-6,15,25H,7-11H2,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.5	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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