BDBM42239 (3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophen-2-ylsulfonylimino-1-naphthalenolate::(3Z)-2-(4-ethylpyridin-1-ium-1-yl)-4-keto-3-(2-thienylsulfonylimino)naphthalen-1-olate::(3Z)-2-(4-ethylpyridin-1-ium-1-yl)-4-oxidanylidene-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate::(3Z)-2-(4-ethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate::MLS000589110::SMR000219638::cid_12005716

SMILES CCc1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O

InChI Key InChIKey=HLGGHFZKCKYXFU-UHFFFAOYSA-N

Data  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 42239   

TargetSentrin-specific protease 6(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42239BDBM42239((3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophe...)
Affinity DataIC50: 3.57E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetSentrin-specific protease 8(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42239BDBM42239((3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophe...)
Affinity DataIC50: 8.48E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42239BDBM42239((3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophe...)
Affinity DataIC50: 9.94E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42239BDBM42239((3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophe...)
Affinity DataIC50: 1.12E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetCaspase-3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42239BDBM42239((3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophe...)
Affinity DataIC50: 1.25E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42239BDBM42239((3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophe...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42239BDBM42239((3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophe...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42239BDBM42239((3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophe...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42239BDBM42239((3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophe...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay