BDBM64380 (3S)-3-(4-benzyl-7-keto-1,4-diazepan-1-yl)-5-methyl-hexanenitrile::(3S)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-5-methylhexanenitrile::(3S)-5-methyl-3-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]hexanenitrile::(3S)-5-methyl-3-[7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]hexanenitrile::MLS000881479::SMR000545017::cid_24767168

SMILES CC(C)C[C@@H](CC#N)N1CCN(Cc2ccccc2)CCC1=O

InChI Key InChIKey=ZERCZXVORUWRJW-UHFFFAOYSA-N

Data  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 64380   

TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM64380(MLS000881479 | (3S)-5-methyl-3-[7-oxidanylidene-4-...)
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