BDBM62870 (3E)-3-[1-(2-phenylethylamino)ethylidene]thiolane-2,4-dione::(3E)-3-[1-(phenethylamino)ethylidene]tetrahydrothiophene-2,4-quinone::MLS000104317::SMR000054252::cid_788510

SMILES CC(NCCc1ccccc1)=C1C(=O)CSC1=O

InChI Key InChIKey=PBEJEHUKCBMRFA-UHFFFAOYSA-N

Data  2 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 62870   

TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM62870(MLS000104317 | SMR000054252 | (3E)-3-[1-(2-phenyle...)
Affinity DataEC50:  1.56E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM62870(MLS000104317 | SMR000054252 | (3E)-3-[1-(2-phenyle...)
Affinity DataIC50: 9.57E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM62870(MLS000104317 | SMR000054252 | (3E)-3-[1-(2-phenyle...)
Affinity DataIC50: 2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM62870(MLS000104317 | SMR000054252 | (3E)-3-[1-(2-phenyle...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM62870(MLS000104317 | SMR000054252 | (3E)-3-[1-(2-phenyle...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay