Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxoacyl-[acyl-carrier-protein] synthase 1' and Ligand = 'BDBM50180099'   

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 1 (Escherichia coli (strain K12))	BDBM50180099 (3,5-dimethyl-4-hydroxy-5-(3-trifluoromethylbenzyl)...) Show SMILES CC1C(=O)SC(C)(Cc2cccc(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C14H13F3O2S/c1-8-11(18)13(2,20-12(8)19)7-9-4-3-5-10(6-9)14(15,16)17/h3-6,8H,7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	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 FabB 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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