Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-ketoacyl-ACP synthase III (FabH)' and Ligand = 'BDBM50180116'   

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
Beta-ketoacyl-ACP synthase III (FabH) (Escherichia coli)	BDBM50180116 (3,5-dimethyl-4-hydroxy-5-nonyl-5H-thiophen-2-one |...) Show SMILES CCCCCCCCCC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C15H26O2S/c1-4-5-6-7-8-9-10-11-15(3)13(16)12(2)14(17)18-15/h12H,4-11H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
					More data for this Ligand-Target Pair