BDBM63203 2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl ester::2-[2-[(Z)-2-nitrovinyl]phenoxy]acetic acid ethyl ester::MLS000586023::SMR000204386::cid_5286552::ethyl 2-[2-[(Z)-2-nitroethenyl]phenoxy]acetate::ethyl 2-[2-[(Z)-2-nitroethenyl]phenoxy]ethanoate::ethyl {2-[(Z)-2-nitrovinyl]phenoxy}acetate

SMILES CCOC(=O)COc1ccccc1\C=C/[N+]([O-])=O

InChI Key InChIKey=AKHFFHDDAUYJKO-UHFFFAOYSA-N

Data  5 IC50  4 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 63203   

TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM63203(SMR000204386 | 2-[2-[(Z)-2-nitroethenyl]phenoxy]ac...)
Affinity DataEC50:  4.03E+3nMAssay 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
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM63203(SMR000204386 | 2-[2-[(Z)-2-nitroethenyl]phenoxy]ac...)
Affinity DataEC50:  5.86E+3nMAssay 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 Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM63203(SMR000204386 | 2-[2-[(Z)-2-nitroethenyl]phenoxy]ac...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetIntegrin alpha-4(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM63203(SMR000204386 | 2-[2-[(Z)-2-nitroethenyl]phenoxy]ac...)
Affinity DataEC50:  2.45E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetIntegrin alpha-4(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM63203(SMR000204386 | 2-[2-[(Z)-2-nitroethenyl]phenoxy]ac...)
Affinity DataEC50:  335nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM63203(SMR000204386 | 2-[2-[(Z)-2-nitroethenyl]phenoxy]ac...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM63203(SMR000204386 | 2-[2-[(Z)-2-nitroethenyl]phenoxy]ac...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetToll-like receptor 9(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM63203(SMR000204386 | 2-[2-[(Z)-2-nitroethenyl]phenoxy]ac...)
Affinity DataIC50: 4.87E+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:
1/4/2012
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM63203(SMR000204386 | 2-[2-[(Z)-2-nitroethenyl]phenoxy]ac...)
Affinity DataIC50: 4.97E+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:
1/4/2012
Entry Details
PCBioAssay