BDBM38993 (1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene::MLS000085704::SMR000020833::cid_5286934

SMILES CCCCS(=O)(=O)\C=C/C=C\S(=O)(=O)CCCC

InChI Key InChIKey=AWAPBXGSDGWNHK-OXAWKVHCSA-N

Data  11 IC50  5 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 16 hits for monomerid = 38993   

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

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  1.91E+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
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  1.92E+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
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  4.50E+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
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  1.78E+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
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  1.30E+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 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  1.96E+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
TargetWee1-like protein kinase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataEC50: >4.98E+4nMAssay Description:Source (MLPCN 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
TargetG2/mitotic-specific cyclin-B1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataEC50: >5.53E+3nMAssay Description:Source (MLPCN 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
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataEC50:  3.04E+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 DepthDetails PCBioAssay
Target60S ribosomal protein L19-A(Saccharomyces cerevisiae)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataEC50:  1.25E+4nMAssay 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
TargetVacuolar aminopeptidase 1(Saccharomyces cerevisiae)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataEC50:  2.54E+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
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  1.92E+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
TargetApelin receptor(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  9.67E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  3.67E+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 DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  2.63E+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
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38993((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Affinity DataIC50:  1.64E+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