Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM322025'   

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))	BDBM322025 ((S,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC[C@H]2C(F)(F)F)C(F)(F)F)n1 |r| Show InChI InChI=1S/C19H19F6N5O/c1-12-26-28-30(27-12)11-14-10-15(18(20,21)22)7-5-13(14)6-8-17(31)29-9-3-2-4-16(29)19(23,24)25/h5-8,10,16H,2-4,9,11H2,1H3/b8-6+/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
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