BDBM63210 3-({7-[(4-methylphenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate::3-[[7-(4-methylphenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl acetate::3-[[7-(4-methylphenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ethanoate::MLS000584455::SMR000207041::acetic acid 3-[[4-nitro-7-(p-tolylthio)benzofurazan-5-yl]amino]propyl ester::acetic acid 3-[[7-[(4-methylphenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ester::cid_12005285

SMILES CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+]([O-])=O

InChI Key InChIKey=KRGXSGJOUWFLKQ-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 63210   

TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM63210(MLS000584455 | SMR000207041 | 3-[[7-(4-methylpheny...)
Affinity DataEC50: >1.95E+5nMAssay 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 Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetApelin receptor(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM63210(MLS000584455 | SMR000207041 | 3-[[7-(4-methylpheny...)
Affinity DataIC50: 3.84E+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 Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetType-1 angiotensin II receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM63210(MLS000584455 | SMR000207041 | 3-[[7-(4-methylpheny...)
Affinity DataIC50: 1.56E+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 Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetNeurotensin receptor type 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM63210(MLS000584455 | SMR000207041 | 3-[[7-(4-methylpheny...)
Affinity DataEC50:  5.83E+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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay