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BDBM72428 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea::1-homoveratryl-3-(3-nitrophenyl)urea::MLS000664099::N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3-nitrophenyl)urea::SMR000295195::cid_1264604

SMILES: COc1ccc(CCNC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1OC

InChI Key: InChIKey=HTXZWULWBPBZBP-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72428   
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
Hsf1 protein


(Mus musculus)
BDBM72428
PNG
(1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitrophenyl)...)
Show SMILES COc1ccc(CCNC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C17H19N3O5/c1-24-15-7-6-12(10-16(15)25-2)8-9-18-17(21)19-13-4-3-5-14(11-13)20(22)23/h3-7,10-11H,8-9H2,1-2H3,(H2,18,19,21)
PDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.60E+5n/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