BDBM32043 1,5-dimethyl-3,7-bis(1-oxohexyl)-3,7-diazabicyclo[3.3.1]nonan-9-one::3,7-di(hexanoyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one::3,7-dicaproyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one::MLS000078042::SMR000034913::cid_660515

SMILES CCCCCC(=O)N1CC2(C)CN(CC(C)(C1)C2=O)C(=O)CCCCC

InChI Key InChIKey=OOTYCKUCDSBCGL-UHFFFAOYSA-N

Data  1 IC50

  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 = 32043   

TargetHeat shock protein HSP 90-alpha(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32043(SMR000034913 | cid_660515 | 3,7-di(hexanoyl)-1,5-d...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2009
Entry Details
PCBioAssay