BDBM42045 MLS000554273::S-[1-(1-acetylindol-3-yl)-2-nitroethyl] ethanethioate::S-[1-(1-ethanoylindol-3-yl)-2-nitro-ethyl] ethanethioate::SMR000146590::Thioacetic acid S-[1-(1-acetyl-1H-indol-3-yl)-2-nitro-ethyl] ester::cid_3775080::ethanethioic acid S-[1-(1-acetyl-3-indolyl)-2-nitroethyl] ester::ethanethioic acid S-[1-(1-acetylindol-3-yl)-2-nitro-ethyl] ester

SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12

InChI Key InChIKey=HUTFFQPOGUXDQI-UHFFFAOYSA-N

Data  2 IC50  4 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 = 42045   

TargetGalanin receptor type 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42045(SMR000146590 | S-[1-(1-ethanoylindol-3-yl)-2-nitro...)
Affinity DataIC50: 1.44E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2011
Entry Details
PCBioAssay
TargetGalanin receptor type 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42045(SMR000146590 | S-[1-(1-ethanoylindol-3-yl)-2-nitro...)
Affinity DataIC50: 1.71E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provid...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2011
Entry Details
PCBioAssay
TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42045(SMR000146590 | S-[1-(1-ethanoylindol-3-yl)-2-nitro...)
Affinity DataEC50:  3.20E+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:
7/9/2011
Entry Details
PCBioAssay
Target60S ribosomal protein L19-A(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM42045(SMR000146590 | S-[1-(1-ethanoylindol-3-yl)-2-nitro...)
Affinity DataEC50:  1.24E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetVacuolar aminopeptidase 1(Baker's yeast)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM42045(SMR000146590 | S-[1-(1-ethanoylindol-3-yl)-2-nitro...)
Affinity DataEC50:  1.07E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM42045(SMR000146590 | S-[1-(1-ethanoylindol-3-yl)-2-nitro...)
Affinity DataEC50:  6.84E+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 Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay