Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM450557'   

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))	BDBM450557 (N-[(3-Chloro-4- cyanophenyl)methyl]-N- methyl-2-(4...) Show SMILES CN(Cc1ccc(C#N)c(Cl)c1)C(=O)Cn1cnc2ccc(cc2c1=O)C1CCN(CC1)C(=O)C1CCO1 Show InChI InChI=1S/C28H28ClN5O4/c1-32(15-18-2-3-21(14-30)23(29)12-18)26(35)16-34-17-31-24-5-4-20(13-22(24)27(34)36)19-6-9-33(10-7-19)28(37)25-8-11-38-25/h2-5,12-13,17,19,25H,6-11,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche 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 US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
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