BDBM59531 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoranyl-4-methyl-phenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine::2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)-3-hydroxy-5-nitro-4-triazolimine::2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)-3-hydroxy-5-nitrotriazol-4-imine::2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide::MLS000871736::SMR000309255::[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]-(3-fluoro-4-methyl-phenyl)amine::cid_15996839

SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O

InChI Key InChIKey=BQFQOFXRMVHCMT-UHFFFAOYSA-N

Data  6 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 7 hits for monomerid = 59531   

TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59531(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Affinity DataIC50: 842nMAssay 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 Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59531(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Affinity DataIC50: 3.24E+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 Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59531(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Affinity DataIC50: 8.48E+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 Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59531(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Affinity DataEC50:  2.00E+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 Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetTegument protein VP16(HHV-1)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59531(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Affinity DataIC50: 2.50E+4nMAssay 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 Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59531(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Affinity DataIC50: 2.54E+4nMAssay 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 Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59531(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Affinity DataIC50: 3.59E+4nMAssay 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 Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay