BDBM50180135 (R)-3,5-dimethyl-4-hydroxy-5-((1E,3E)-2-methylpenta-1,3-dienyl)-5H-thiophen-2-one::CHEMBL382200
SMILES: C\C=C\C(\C)=C\[C@@]1(C)SC(=O)C(C)C1=O
InChI Key: InChIKey=DGOVNMKGWUFZFR-JWRSGSHQSA-N
Data: 3 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) | BDBM50180135 ((R)-3,5-dimethyl-4-hydroxy-5-((1E,3E)-2-methylpent...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.00E+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 | |||||||||||||
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH) (Mycobacterium tuberculosis) | BDBM50180135 ((R)-3,5-dimethyl-4-hydroxy-5-((1E,3E)-2-methylpent...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+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 KasA 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 | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 1 (Escherichia coli (strain K12)) | BDBM50180135 ((R)-3,5-dimethyl-4-hydroxy-5-((1E,3E)-2-methylpent...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Similars | MMDB Article PubMed | n/a | n/a | 5.00E+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 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) |