BDBM54812 (E)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-N-(phenylmethyl)but-2-enamide::(E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-4-oxo-N-(phenylmethyl)-2-butenamide::(E)-N-benzyl-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-but-2-enamide::(E)-N-benzyl-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-4-oxobut-2-enamide::MLS000714569::SMR000274548::cid_5770963

SMILES COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c(O)c1

InChI Key InChIKey=YYCNMRGMZROVGP-UHFFFAOYSA-N

Data  3 IC50  2 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 5 hits for monomerid = 54812   

TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54812((E)-N-benzyl-N-[2-(cyclohexylamino)-2-oxoethyl]-4-...)
Affinity DataIC50: 4.97E+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
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54812((E)-N-benzyl-N-[2-(cyclohexylamino)-2-oxoethyl]-4-...)
Affinity DataIC50: 8.34E+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:
6/5/2011
Entry Details
PCBioAssay
TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54812((E)-N-benzyl-N-[2-(cyclohexylamino)-2-oxoethyl]-4-...)
Affinity DataEC50:  3.20E+4nMAssay 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
TargetNeutrophil cytosol factor 1 [S99G](Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM54812((E)-N-benzyl-N-[2-(cyclohexylamino)-2-oxoethyl]-4-...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/7/2011
Entry Details
PCBioAssay
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54812((E)-N-benzyl-N-[2-(cyclohexylamino)-2-oxoethyl]-4-...)
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