BDBM40458 3-[(2Z)-2-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;pyridine::3-[(2Z)-2-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;pyridine::3-[(2Z)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;pyridine::3-[(2Z)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonic acid;pyridine::3-{2-[3-Allyl-4-oxo-2-thioxo-thiazolidin-(5Z)-ylidene]-benzothiazol-3-yl}-propane-1-sulfonic acid::CHEMBL514495::MLS000031372::SMR000009037::cid_6398896

SMILES OS(=O)(=O)CCCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O

InChI Key InChIKey=PTRVCICYKILIEH-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 40458   

TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40458(3-[(2Z)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-t...)
Affinity DataIC50: 1.09E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
LigandPNGBDBM40458(3-[(2Z)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-t...)
Affinity DataIC50: 5.11E+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:
1/4/2012
Entry Details
PCBioAssay
TargetPolyadenylate-binding protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40458(3-[(2Z)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-t...)
Affinity DataIC50: 6.60E+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:
6/19/2012
Entry Details
PCBioAssay
TargetPolyadenylate-binding protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40458(3-[(2Z)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-t...)
Affinity DataIC50: 6.60E+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:
6/19/2012
Entry Details
PCBioAssay
TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40458(3-[(2Z)-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-t...)
Affinity DataIC50: 1.09E+4nMAssay Description:Inhibition of human recombinant MMP13 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2012
Entry Details Article
PubMed