Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM321961'   

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))	BDBM321961 ((E)-tert-Butyl-4-(3-(2-((5-methyl-2H-tetrazol-2-yl...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C(F)(F)F)n1 Show InChI InChI=1S/C22H27F3N6O3/c1-15-26-28-31(27-15)14-17-13-18(22(23,24)25)7-5-16(17)6-8-19(32)29-9-11-30(12-10-29)20(33)34-21(2,3)4/h5-8,13H,9-12,14H2,1-4H3/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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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