Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxoacyl-[acyl-carrier-protein] synthase 3' and Ligand = 'BDBM50173516'   

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-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50173516 (3,5-dimethyl-5-((2E)-3,7-dimethyloct-2,6-dienyl)-4...) Show SMILES [#6]-[#6]-1-[#6](=O)-[#16]C([#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O Show InChI InChI=1S/C16H24O2S/c1-11(2)7-6-8-12(3)9-10-16(5)14(17)13(4)15(18)19-16/h7,9,13H,6,8,10H2,1-5H3/b12-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
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