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BDBM63491 4-[[3-(2-hydroxyethyl)-4-(2-phenylethyl)-1-piperazinyl]methyl]benzoic acid methyl ester::4-[[3-(2-hydroxyethyl)-4-phenethyl-piperazino]methyl]benzoic acid methyl ester::MLS000732872::SMR000316123::cid_16190140::methyl 4-[[3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate::methyl 4-{[3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl}benzoate

SMILES: COC(=O)c1ccc(CN2CCN(CCc3ccccc3)C(CCO)C2)cc1

InChI Key: InChIKey=HUTXIKDFPYKCCC-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 63491   
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)
BDBM63491
PNG
(4-[[3-(2-hydroxyethyl)-4-(2-phenylethyl)-1-piperaz...)
Show SMILES COC(=O)c1ccc(CN2CCN(CCc3ccccc3)C(CCO)C2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-28-23(27)21-9-7-20(8-10-21)17-24-14-15-25(22(18-24)12-16-26)13-11-19-5-3-2-4-6-19/h2-10,22,26H,11-18H2,1H3
PDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.95E+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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair