Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM258521'   

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))	BDBM258521 (US10633384, Example 6 | US9493486, 6) Show SMILES Clc1cc(Cl)cc(\C=C\C(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1 Show InChI InChI=1S/C23H21Cl2N5O2/c24-17-9-15(10-18(25)12-17)1-4-21(31)29-7-5-23(6-8-29)13-30(14-23)22(32)16-2-3-19-20(11-16)27-28-26-19/h1-4,9-12H,5-8,13-14H2,(H,26,27,28)/b4-1+	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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