BDBM50173517 3,5-dimethyl-4-hydroxy-5-octyl-5H-thiophen-2-one::4-Hydroxy-3,5-dimethyl-5-octyl-5H-thiophen-2-one::CHEMBL196776
SMILES: CCCCCCCCC1(C)SC(=O)C(C)C1=O
InChI Key: InChIKey=WQJGODZWMFTIGC-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH) (Mycobacterium tuberculosis) | BDBM50173517 (3,5-dimethyl-4-hydroxy-5-octyl-5H-thiophen-2-one |...) | PDB UniProtKB/SwissProt 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 Mycobacterium tuberculosis H37Rv | 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 | |||||||||||||
Beta-ketoacyl-ACP synthase III (FabH) (Escherichia coli) | BDBM50173517 (3,5-dimethyl-4-hydroxy-5-octyl-5H-thiophen-2-one |...) | 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 |