Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM258532'   

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))	BDBM258532 (US10633384, Example 7 | US9493486, 7) Show SMILES Clc1cc(Cl)cc(c1)-c1nnc(o1)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1 Show InChI InChI=1S/C22H19Cl2N7O2/c23-15-7-14(8-16(24)10-15)19-27-28-21(33-19)30-5-3-22(4-6-30)11-31(12-22)20(32)13-1-2-17-18(9-13)26-29-25-17/h1-2,7-10H,3-6,11-12H2,(H,25,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	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
					More data for this Ligand-Target Pair