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BDBM63772 3-[(5Z)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid::3-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid::3-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]propanoic acid::3-[(5Z)-5-(4-allyloxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid::3-{5-[1-(4-Allyloxy-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionic acid::MLS000806933::SMR000414732::cid_1611092

SMILES: OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O

InChI Key: InChIKey=AEZGVSCOIZTTBC-RAXLEYEMSA-N

Data: 5 IC50  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 6 hits for monomerid = 63772   
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)
BDBM63772
PNG
(3-[(5Z)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)m...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O
Show InChI InChI=1S/C16H15NO4S2/c1-2-9-21-12-5-3-11(4-6-12)10-13-15(20)17(16(22)23-13)8-7-14(18)19/h2-6,10H,1,7-9H2,(H,18,19)/b13-10-
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n/an/an/an/a 5.69E+3n/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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM63772
PNG
(3-[(5Z)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)m...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O
Show InChI InChI=1S/C16H15NO4S2/c1-2-9-21-12-5-3-11(4-6-12)10-13-15(20)17(16(22)23-13)8-7-14(18)19/h2-6,10H,1,7-9H2,(H,18,19)/b13-10-
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n/an/a 1.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM63772
PNG
(3-[(5Z)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)m...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O
Show InChI InChI=1S/C16H15NO4S2/c1-2-9-21-12-5-3-11(4-6-12)10-13-15(20)17(16(22)23-13)8-7-14(18)19/h2-6,10H,1,7-9H2,(H,18,19)/b13-10-
PDB
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n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM63772
PNG
(3-[(5Z)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)m...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O
Show InChI InChI=1S/C16H15NO4S2/c1-2-9-21-12-5-3-11(4-6-12)10-13-15(20)17(16(22)23-13)8-7-14(18)19/h2-6,10H,1,7-9H2,(H,18,19)/b13-10-
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n/an/a 6.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM63772
PNG
(3-[(5Z)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)m...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O
Show InChI InChI=1S/C16H15NO4S2/c1-2-9-21-12-5-3-11(4-6-12)10-13-15(20)17(16(22)23-13)8-7-14(18)19/h2-6,10H,1,7-9H2,(H,18,19)/b13-10-
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n/an/a 3.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM63772
PNG
(3-[(5Z)-4-oxidanylidene-5-[(4-prop-2-enoxyphenyl)m...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O
Show InChI InChI=1S/C16H15NO4S2/c1-2-9-21-12-5-3-11(4-6-12)10-13-15(20)17(16(22)23-13)8-7-14(18)19/h2-6,10H,1,7-9H2,(H,18,19)/b13-10-
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n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair