BDBM50134359 3,5-dimethyl-4-hydroxy-5-(4-methoxybenzyl)-5H-thiophen-2-one::4-Hydroxy-5-(4-methoxy-benzyl)-3,5-dimethyl-5H-thiophen-2-one::CHEMBL333467
SMILES: COc1ccc(CC2(C)SC(=O)C(C)C2=O)cc1
InChI Key: InChIKey=CLENEMPRIVEYEZ-UHFFFAOYSA-N
Data: 6 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) | BDBM50134359 (3,5-dimethyl-4-hydroxy-5-(4-methoxybenzyl)-5H-thio...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH) (Mycobacterium tuberculosis) | BDBM50134359 (3,5-dimethyl-4-hydroxy-5-(4-methoxybenzyl)-5H-thio...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | 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 | |||||||||||||
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH) (Mycobacterium tuberculosis) | BDBM50134359 (3,5-dimethyl-4-hydroxy-5-(4-methoxybenzyl)-5H-thio...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | 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)) | BDBM50134359 (3,5-dimethyl-4-hydroxy-5-(4-methoxybenzyl)-5H-thio...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | 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 | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Mycobacterium tuberculosis) | BDBM50134359 (3,5-dimethyl-4-hydroxy-5-(4-methoxybenzyl)-5H-thio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | 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) | BDBM50134359 (3,5-dimethyl-4-hydroxy-5-(4-methoxybenzyl)-5H-thio...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | 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 |