Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM258570'   

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))	BDBM258570 (US10633384, Example 12.32 | US9493486, 12.32) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CC(C3)C(=O)NCc3cnn[nH]3)CC2)c1 Show InChI InChI=1S/C20H23Cl2N5O3/c21-15-5-13(6-16(22)7-15)12-30-19(29)27-3-1-20(2-4-27)8-14(9-20)18(28)23-10-17-11-24-26-25-17/h5-7,11,14H,1-4,8-10,12H2,(H,23,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	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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