BDBM37131 2-(2-pyridin-2-ylsulfanylethylsulfonyl)-1,3-benzothiazole::2-[2-(2-pyridinylthio)ethylsulfonyl]-1,3-benzothiazole::2-[2-(2-pyridylthio)ethylsulfonyl]-1,3-benzothiazole::2-{[2-(2-pyridinylthio)ethyl]sulfonyl}-1,3-benzothiazole::MLS000064795::SMR000077665::cid_972882

SMILES O=S(=O)(CCSc1ccccn1)c1nc2ccccc2s1

InChI Key InChIKey=CYOASIJWVQLNRN-UHFFFAOYSA-N

Data  5 EC50

  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 5 hits for monomerid = 37131   

TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37131(MLS000064795 | 2-(2-pyridin-2-ylsulfanylethylsulfo...)
Affinity DataEC50:  4.71E+3nMAssay 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:
4/28/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM37131(MLS000064795 | 2-(2-pyridin-2-ylsulfanylethylsulfo...)
Affinity DataEC50:  9.21E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37131(MLS000064795 | 2-(2-pyridin-2-ylsulfanylethylsulfo...)
Affinity DataEC50:  9.83E+3nMAssay 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:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37131(MLS000064795 | 2-(2-pyridin-2-ylsulfanylethylsulfo...)
Affinity DataEC50:  1.04E+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:
4/29/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM37131(MLS000064795 | 2-(2-pyridin-2-ylsulfanylethylsulfo...)
Affinity DataEC50:  9.89E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay