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BDBM65993 2-[1-[(E)-2-nitrovinyl]-2-naphthoxy]acetic acid ethyl ester::2-[[1-[(E)-2-nitroethenyl]-2-naphthalenyl]oxy]acetic acid ethyl ester::MLS000584937::SMR000207322::cid_684448::ethyl ({1-[(E)-2-nitrovinyl]-2-naphthyl}oxy)acetate::ethyl 2-[1-[(E)-2-nitroethenyl]naphthalen-2-yl]oxyacetate::ethyl 2-[1-[(E)-2-nitroethenyl]naphthalen-2-yl]oxyethanoate

SMILES: CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O

InChI Key: InChIKey=WAZYCJASOMJTGS-MDZDMXLPSA-N

Data: 2 IC50  4 EC50

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 = 65993   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RPL19A


(Saccharomyces cerevisiae)
BDBM65993
PNG
(2-[1-[(E)-2-nitrovinyl]-2-naphthoxy]acetic acid et...)
Show SMILES CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O
Show InChI InChI=1S/C16H15NO5/c1-2-21-16(18)11-22-15-8-7-12-5-3-4-6-13(12)14(15)9-10-17(19)20/h3-10H,2,11H2,1H3/b10-9+
PDB
MMDB

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n/an/an/an/a 5.36E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM65993
PNG
(2-[1-[(E)-2-nitrovinyl]-2-naphthoxy]acetic acid et...)
Show SMILES CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O
Show InChI InChI=1S/C16H15NO5/c1-2-21-16(18)11-22-15-8-7-12-5-3-4-6-13(12)14(15)9-10-17(19)20/h3-10H,2,11H2,1H3/b10-9+
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n/an/an/an/a 1.27E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X5F
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM65993
PNG
(2-[1-[(E)-2-nitrovinyl]-2-naphthoxy]acetic acid et...)
Show SMILES CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O
Show InChI InChI=1S/C16H15NO5/c1-2-21-16(18)11-22-15-8-7-12-5-3-4-6-13(12)14(15)9-10-17(19)20/h3-10H,2,11H2,1H3/b10-9+
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MMDB

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n/an/a 3.05E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM65993
PNG
(2-[1-[(E)-2-nitrovinyl]-2-naphthoxy]acetic acid et...)
Show SMILES CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O
Show InChI InChI=1S/C16H15NO5/c1-2-21-16(18)11-22-15-8-7-12-5-3-4-6-13(12)14(15)9-10-17(19)20/h3-10H,2,11H2,1H3/b10-9+
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n/an/an/an/a 3.33E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM65993
PNG
(2-[1-[(E)-2-nitrovinyl]-2-naphthoxy]acetic acid et...)
Show SMILES CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O
Show InChI InChI=1S/C16H15NO5/c1-2-21-16(18)11-22-15-8-7-12-5-3-4-6-13(12)14(15)9-10-17(19)20/h3-10H,2,11H2,1H3/b10-9+
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antibodypedia
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n/an/a 6.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM65993
PNG
(2-[1-[(E)-2-nitrovinyl]-2-naphthoxy]acetic acid et...)
Show SMILES CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O
Show InChI InChI=1S/C16H15NO5/c1-2-21-16(18)11-22-15-8-7-12-5-3-4-6-13(12)14(15)9-10-17(19)20/h3-10H,2,11H2,1H3/b10-9+
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n/an/an/an/a 4.41E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair