Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM322062'   

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))	BDBM322062 ((E)-3-((2-(4-(3-(4-Chloro-2-((5-methyl-2H-tetrazol...) Show SMILES CCOc1c(NCCC2CN(CCO2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)c(=O)c1=O Show InChI InChI=1S/C24H27ClN6O5/c1-3-35-24-21(22(33)23(24)34)26-9-8-19-14-30(10-11-36-19)20(32)7-5-16-4-6-18(25)12-17(16)13-31-28-15(2)27-29-31/h4-7,12,19,26H,3,8-11,13-14H2,1-2H3/b7-5+	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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