Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM322064'   

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))	BDBM322064 ((E)-N-(1-(3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)C(F)(F)F)n1 Show InChI InChI=1S/C24H28F3N9O2/c1-16-30-34-36(32-16)15-18-13-19(24(25,26)27)7-5-17(18)6-8-23(38)35-11-9-20(10-12-35)29-22(37)4-2-3-21-14-28-33-31-21/h5-8,13-14,20H,2-4,9-12,15H2,1H3,(H,29,37)(H,28,31,33)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	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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