BDBM66666 2-benzoyl-3,3-bis(methylsulfanyl)prop-2-enenitrile::2-benzoyl-3,3-bis(methylthio)-2-propenenitrile::2-benzoyl-3,3-bis(methylthio)acrylonitrile::2-benzoyl-3,3-di(methylthio)acrylonitrile::3,3-bis(methylsulfanyl)-2-(phenylcarbonyl)prop-2-enenitrile::MLS000859106::SMR000459285::cid_2819082

SMILES [#6]-[#16]\[#6](-[#16]-[#6])=[#6](\C#N)-[#6](=O)-c1ccccc1

InChI Key InChIKey=LMMPAKOQXXGWBA-UHFFFAOYSA-N

Data  4 IC50  1 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 5 hits for monomerid = 66666   

TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM66666(MLS000859106 | 2-benzoyl-3,3-bis(methylthio)-2-pro...)
Affinity DataIC50: 1.40E+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 Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetEndothelial PAS domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM66666(MLS000859106 | 2-benzoyl-3,3-bis(methylthio)-2-pro...)
Affinity DataIC50: 6.18E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM66666(MLS000859106 | 2-benzoyl-3,3-bis(methylthio)-2-pro...)
Affinity DataIC50: 6.21E+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 Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM66666(MLS000859106 | 2-benzoyl-3,3-bis(methylthio)-2-pro...)
Affinity DataIC50: 6.21E+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 Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM66666(MLS000859106 | 2-benzoyl-3,3-bis(methylthio)-2-pro...)
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
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay