BDBM37114 2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzothiazole::3-(1,3-benzothiazol-2-ylsulfanyl)-1-benzothiophene 1,1-dioxide::3-(1,3-benzothiazol-2-ylthio)-1-benzothiophene 1,1-dioxide::3-(1,3-benzothiazol-2-ylthio)benzothiophene 1,1-dioxide::MLS000062663::SMR000071200::cid_701067

SMILES O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc12

InChI Key InChIKey=BKZOIKUBPIWBKV-UHFFFAOYSA-N

Data  7 IC50  6 EC50

  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 13 hits for monomerid = 37114   

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

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataEC50: >1.00E+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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataEC50:  1.26E+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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataEC50:  7.68E+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 DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataIC50:  713nMAssay 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 DepthDetails PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataIC50:  1.95E+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 DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataIC50:  2.67E+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 DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataIC50:  1.22E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataEC50:  3.93E+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
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TargetVacuolar aminopeptidase 1(Saccharomyces cerevisiae)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataEC50:  3.29E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataIC50:  1.22E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-like protein 11(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
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TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataIC50:  3.25E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37114(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Affinity DataIC50:  941nMAssay 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 DepthDetails PCBioAssay