Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM258587'   

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))	BDBM258587 (US10633384, 14.01 | US9493486, 14.01) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)NCc2c[nH]nn2)CC1 Show InChI InChI=1S/C20H22F4N6O4/c21-16-7-15(34-20(22,23)24)2-1-13(16)10-33-18(32)29-5-3-19(4-6-29)11-30(12-19)17(31)25-8-14-9-26-28-27-14/h1-2,7,9H,3-6,8,10-12H2,(H,25,31)(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41.5	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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