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BDBM45160 MLS000723318::N-(4-acetylphenyl)-4-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-2-thioxo-thiazolidin-3-yl]butyramide::N-(4-acetylphenyl)-4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide::N-(4-acetylphenyl)-4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanamide::N-(4-ethanoylphenyl)-4-[(5Z)-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide::SMR000236499::cid_1617800

SMILES: CC(=O)c1ccc(NC(=O)CCCN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1

InChI Key: InChIKey=KNMRFESRXQTVPJ-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 45160   
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)
BDBM45160
PNG
(MLS000723318 | N-(4-acetylphenyl)-4-[(5Z)-4-keto-5...)
Show SMILES CC(=O)c1ccc(NC(=O)CCCN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1 |w:18.18,21.21|
Show InChI InChI=1S/C25H24N2O3S2/c1-17(15-19-7-4-3-5-8-19)16-22-24(30)27(25(31)32-22)14-6-9-23(29)26-21-12-10-20(11-13-21)18(2)28/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.06E+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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45160
PNG
(MLS000723318 | N-(4-acetylphenyl)-4-[(5Z)-4-keto-5...)
Show SMILES CC(=O)c1ccc(NC(=O)CCCN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1 |w:18.18,21.21|
Show InChI InChI=1S/C25H24N2O3S2/c1-17(15-19-7-4-3-5-8-19)16-22-24(30)27(25(31)32-22)14-6-9-23(29)26-21-12-10-20(11-13-21)18(2)28/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.01E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair