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 = 'BDBM31957'   

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))	BDBM31957 (1,3-thiazolidin-5-ylidene derivative, 4u) Show SMILES COC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\S\C(=N\c3ccccc3)N(CCN3CCCC3)C2=O)o1 Show InChI InChI=1S/C28H26ClN3O4S/c1-35-27(34)22-17-19(9-11-23(22)29)24-12-10-21(36-24)18-25-26(33)32(16-15-31-13-5-6-14-31)28(37-25)30-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3/b25-18+,30-28+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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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