Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM258507'   

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))	BDBM258507 (US10633384, Example 2 | US9493486, 2) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 Show InChI InChI=1S/C22H19Cl2N3O5/c23-15-5-13(6-16(24)8-15)9-31-21(30)26-4-3-22(10-26)11-27(12-22)19(28)14-1-2-17-18(7-14)32-20(29)25-17/h1-2,5-8H,3-4,9-12H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	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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