Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ' and Ligand = 'BDBM31969'   

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
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (Helicobacter pylori (Campylobacter pylori))	BDBM31969 (trimethoxyphenyl prop-2-enamide, 5l) Show SMILES COc1ccc(\C=C\C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(OC)c1OC Show InChI InChI=1S/C20H17F6NO4/c1-29-15-6-4-11(17(30-2)18(15)31-3)5-7-16(28)27-14-9-12(19(21,22)23)8-13(10-14)20(24,25)26/h4-10H,1-3H3,(H,27,28)/b7-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
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