Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM322007'   

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))	BDBM322007 ((E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(tr...) Show SMILES Cc1cc(CN2CCN(CC2)C(=O)\C=C\c2ccc(cc2Cn2nnc(C)n2)C(F)(F)F)no1 Show InChI InChI=1S/C22H24F3N7O2/c1-15-11-20(28-34-15)14-30-7-9-31(10-8-30)21(33)6-4-17-3-5-19(22(23,24)25)12-18(17)13-32-27-16(2)26-29-32/h3-6,11-12H,7-10,13-14H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	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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