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
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...) | 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 |