BDBM50138281 4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one::4-Hydroxy-3,5-dimethyl-5-(2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one(Thiolactomycin)::CHEMBL322740::rac-thiolactomycin
SMILES: CC1C(=O)SC(C)(\C=C(/C)C=C)C1=O
InChI Key: InChIKey=IKJRVRCIDNWYPZ-VOTSOKGWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Fatty acid synthase (Homo sapiens (Human)) | BDBM50138281 (4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-di...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.43E+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 human FAS1 | 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 | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Escherichia coli (strain K12)) | BDBM50138281 (4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-di...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.00E+4 | 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |