BDBM50167956 3-(Benzothiazol-2-ylsulfanyl)-propionic acid::CHEMBL191750::cid_224561

SMILES OC(=O)CCSc1nc2ccccc2s1

InChI Key InChIKey=DXSBAOMLHPFLMW-UHFFFAOYSA-N

Data  1 KI  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50167956   

TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50167956(cid_224561 | CHEMBL191750 | 3-(Benzothiazol-2-ylsu...)
Affinity DataIC50: 1.56E+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:
4/30/2011
Entry Details
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50167956(cid_224561 | CHEMBL191750 | 3-(Benzothiazol-2-ylsu...)
Affinity DataIC50: 1.91E+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:
4/30/2011
Entry Details
PCBioAssay
TargetMatrix metalloproteinase-14 [1-36](Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50167956(cid_224561 | CHEMBL191750 | 3-(Benzothiazol-2-ylsu...)
Affinity DataEC50:  1.54E+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:
5/30/2011
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50167956(cid_224561 | CHEMBL191750 | 3-(Benzothiazol-2-ylsu...)
Affinity DataEC50:  6.83E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Escherichia coli (strain K12))
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50167956(cid_224561 | CHEMBL191750 | 3-(Benzothiazol-2-ylsu...)
Affinity DataKi:  6.46E+5nMAssay Description:Apparent inhibitory constant against beta-lactamase AmpC from Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed