BDBM61544 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester::4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester::MLS001017764::SMR000354049::[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-(2-cyanoethanoylamino)benzoate::[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate::cid_2400177

SMILES O=C(COC(=O)c1ccc(NC(=O)CC#N)cc1)Nc1ccccc1Sc1ccccc1

InChI Key InChIKey=BKZKGGRNJUJESN-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 61544   

TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61544(MLS001017764 | 4-[(2-cyano-1-oxoethyl)amino]benzoi...)
Affinity DataIC50: 2.17E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM61544(MLS001017764 | 4-[(2-cyano-1-oxoethyl)amino]benzoi...)
Affinity DataEC50: >2.60E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay