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SMILES: [O-][N+](=O)c1cccc(C=CC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1

InChI Key: InChIKey=JDZIERLOPXSINW-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 1 hit for monomerid = 72245   
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)		BDBM72245
PNG
((E)-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylid...)
Show SMILES [O-][N+](=O)c1cccc(C=CC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 |w:8.7|
Show InChI InChI=1S/C21H22N4O4S/c26-20(9-6-16-2-1-3-19(14-16)25(27)28)23-21(30)22-18-7-4-17(5-8-18)15-24-10-12-29-13-11-24/h1-9,14H,10-13,15H2,(H2,22,23,26,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.46E+4n/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