BDBM50173516 3,5-dimethyl-5-((2E)-3,7-dimethyloct-2,6-dienyl)-4-hydroxy-5H-thiophen-2-one::5-((E)-3,7-Dimethyl-octa-2,6-dienyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL197346

SMILES: [#6]-[#6]-1-[#6](=O)-[#16]C([#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O

InChI Key: InChIKey=BEBUAQPCLKMYHX-FMIVXFBMSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173516   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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)	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
					More data for this Ligand-Target Pair