BDBM54828 3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile::3-methylsulfonyl-4-oxidanylidene-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile::3-methylsulfonyl-4-oxo-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile::4-keto-3-mesyl-6-phenyl-6,7-dihydro-5H-isobenzothiophene-1-carbonitrile::MLS000859269::SMR000459448::cid_2820199

SMILES CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1

InChI Key InChIKey=XCRQNUSEZCAJHA-UHFFFAOYSA-N

Data  4 IC50  2 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 6 hits for monomerid = 54828   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54828(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Affinity DataIC50:  3.24E+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
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TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54828(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Affinity DataIC50:  4.62E+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
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54828(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Affinity DataIC50:  7.08E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
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TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54828(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Affinity DataEC50:  1.78E+4nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
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TargetToll-like receptor 9(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54828(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Affinity DataIC50:  4.96E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
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TargetBcl-2-like protein 11(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54828(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
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 DepthDetails PCBioAssay