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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for monomerid = 42045   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat shock factor protein 1


(Mus musculus)
BDBM42045
PNG
(MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...)
Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12
Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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KEGG
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 6.84E+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
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM42045
PNG
(MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...)
Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12
Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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KEGG
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.07E+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/Q21R6P02
More data for this
Ligand-Target Pair
60S ribosomal protein L19-A


(Saccharomyces cerevisiae)
BDBM42045
PNG
(MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...)
Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12
Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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KEGG
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.24E+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/Q2JQ0ZGP
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM42045
PNG
(MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...)
Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12
Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair