BDBM32045 (6E)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propyl-1-cyclohexa-2,4-dienone::(6E)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propylcyclohexa-2,4-dien-1-one::(6E)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-4-propyl-cyclohexa-2,4-dien-1-one::(6E)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyrazolin-3-ylidene]-3-hydroxy-4-propyl-cyclohexa-2,4-dien-1-one::MLS000037071::SMR000035056::cid_5389514

SMILES CCCc1cc(-c2n[nH]cc2-c2ccc3OCCCOc3c2)c(O)cc1O

InChI Key InChIKey=BFBCHLVNXAHMHP-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32045   

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

Curated by PubChem BioAssay
LigandPNGBDBM32045((6E)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-...)
Affinity DataIC50:  1.22E+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 DepthDetails PCBioAssay