BDBM33119 2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propionate::2-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate::MLS000584447::SMR000207033::cid_12005273::propanoic acid 2-[[7-[(1-methyl-2-imidazolyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester::propionic acid 2-[[7-[(1-methylimidazol-2-yl)thio]-4-nitro-benzofurazan-5-yl]amino]ethyl ester

SMILES CCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O

InChI Key InChIKey=INGBPGPHKBRDPO-UHFFFAOYSA-N

Data  5 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 33119   

TargetBcl-2-related protein A1(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM33119(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Affinity DataEC50:  2.68E+4nMpH: 7.4 T: 2°CAssay Description:The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33119(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Affinity DataIC50:  2.27E+4nMAssay 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
TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33119(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Affinity DataIC50:  4.05E+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
LigandPNGBDBM33119(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Affinity DataIC50:  8.31E+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
In DepthDetails PCBioAssay
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM33119(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Affinity DataEC50:  4.50E+3nMAssay 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
In DepthDetails PCBioAssay
TargetToll-like receptor 9(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM33119(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Affinity DataIC50:  3.51E+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
In DepthDetails PCBioAssay
TargetDelta-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33119(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Affinity DataIC50:  2.97E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay