BDBM50134346 3,5-dimethyl-4-hydroxy-5-(3-methoxybenzyl)-5H-thiophen-2-one::4-Hydroxy-5-(3-methoxy-benzyl)-3,5-dimethyl-5H-thiophen-2-one::CHEMBL123184

SMILES COc1cccc(CC2(C)SC(=O)C(C)C2=O)c1

InChI Key InChIKey=GQPBGPCSFIBSOP-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50134346   

Target3-oxoacyl-[acyl-carrier-protein] synthase 3(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
The University of Birmingham

Curated by ChEMBL
LigandPNGBDBM50134346(4-Hydroxy-5-(3-methoxy-benzyl)-3,5-dimethyl-5H-thi...)
Affinity DataIC50: 5.00E+5nMAssay Description:In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target3-oxoacyl-[acyl-carrier-protein] synthase 3(Escherichia coli)
National Institute of Allergy and Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50134346(4-Hydroxy-5-(3-methoxy-benzyl)-3,5-dimethyl-5H-thi...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibitory activity against FabH from Escherichia coli ANSIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
Target3-oxoacyl-[acyl-carrier-protein] synthase 2(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Allergy and Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50134346(4-Hydroxy-5-(3-methoxy-benzyl)-3,5-dimethyl-5H-thi...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibitory activity against KasB from Mycobacterium tuberculosis H37RvMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
Target3-oxoacyl-[acyl-carrier-protein] synthase 3(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
The University of Birmingham

Curated by ChEMBL
LigandPNGBDBM50134346(4-Hydroxy-5-(3-methoxy-benzyl)-3,5-dimethyl-5H-thi...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibitory activity against KasA from Mycobacterium tuberculosis H37RvMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
Target3-oxoacyl-[acyl-carrier-protein] synthase 3(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
The University of Birmingham

Curated by ChEMBL
LigandPNGBDBM50134346(4-Hydroxy-5-(3-methoxy-benzyl)-3,5-dimethyl-5H-thi...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibitory activity against FabH from Mycobacterium tuberculosis H37RvMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
Target3-oxoacyl-[acyl-carrier-protein] synthase 1(Escherichia coli (strain K12))
National Institute of Allergy and Infectious Diseases

Curated by ChEMBL
LigandPNGBDBM50134346(4-Hydroxy-5-(3-methoxy-benzyl)-3,5-dimethyl-5H-thi...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibitory activity against FabB from Escherichia coli ANSIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed