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SMILES: COc1ccc(CN2CC(CC2=O)C(=O)NCCCN2CCOCC2)cc1

InChI Key: InChIKey=FGUSNMZUDOITLR-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 38824   
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
Heat shock factor protein 1


(Mus musculus)
BDBM38824
PNG
(1-(4-methoxybenzyl)-N-(3-morpholin-4-ylpropyl)-5-o...)
Show SMILES COc1ccc(CN2CC(CC2=O)C(=O)NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H29N3O4/c1-26-18-5-3-16(4-6-18)14-23-15-17(13-19(23)24)20(25)21-7-2-8-22-9-11-27-12-10-22/h3-6,17H,2,7-15H2,1H3,(H,21,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

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
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM38824
PNG
(1-(4-methoxybenzyl)-N-(3-morpholin-4-ylpropyl)-5-o...)
Show SMILES COc1ccc(CN2CC(CC2=O)C(=O)NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H29N3O4/c1-26-18-5-3-16(4-6-18)14-23-15-17(13-19(23)24)20(25)21-7-2-8-22-9-11-27-12-10-22/h3-6,17H,2,7-15H2,1H3,(H,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2BG2MCP
More data for this
Ligand-Target Pair