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BDBM72928 3-(2-methoxyphenyl)propanoic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester::3-(2-methoxyphenyl)propionic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester::MLS001177455::SMR000590874::[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate::[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-(2-methoxyphenyl)propanoate::cid_3306710

SMILES: COc1ccccc1CCC(=O)OCC(=O)Nc1c(Br)cc(C)cc1Br

InChI Key: InChIKey=SJKJGDVLRFXUQG-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72928   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hsf1 protein


(Mus musculus)
BDBM72928
PNG
(3-(2-methoxyphenyl)propanoic acid [2-(2,6-dibromo-...)
Show SMILES COc1ccccc1CCC(=O)OCC(=O)Nc1c(Br)cc(C)cc1Br
Show InChI InChI=1S/C19H19Br2NO4/c1-12-9-14(20)19(15(21)10-12)22-17(23)11-26-18(24)8-7-13-5-3-4-6-16(13)25-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

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