BDBM50180114 3,5-dimethyl-5-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)-4-hydroxy-5H-thiophen-2-one::CHEMBL199771
SMILES: [#6]-[#6]-1-[#6](=O)-[#16]C([#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O
InChI Key: InChIKey=GWRYTIHYLBUMGQ-IUBLYSDUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Mycobacterium tuberculosis) | BDBM50180114 (3,5-dimethyl-5-((2E,6E)-3,7,11-trimethyldodeca-2,6...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 KasB 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) | BDBM50180114 (3,5-dimethyl-5-((2E,6E)-3,7,11-trimethyldodeca-2,6...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 |