BDBM32073 (7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one::(7R,11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one::CHEMBL450613::MLS000081744::SMR000060050::Taleranol::Zearalanol::cid_2999413

SMILES C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1

InChI Key InChIKey=DWTTZBARDOXEAM-GXTWGEPZSA-N

Data  2 IC50  5 EC50

PDB links: 2 PDB IDs match this monomer.

  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 7 hits for monomerid = 32073   

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

Curated by PubChem BioAssay
LigandPNGBDBM32073((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...)
Affinity DataIC50:  2.65E+3nMpH: 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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32073((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...)
Affinity DataIC50:  2.79E+4nMAssay Description:Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Bayer Healthcare

Curated by ChEMBL
LigandPNGBDBM32073((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...)
Affinity DataEC50:  24nMAssay Description:Agonist activity at ERbeta (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM32073((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...)
Affinity DataEC50:  2.51E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM32073((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...)
Affinity DataEC50:  4.00E+3nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Rattus norvegicus)
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM32073((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...)
Affinity DataEC50:  3.84E+4nMAssay Description:Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM32073((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...)
Affinity DataEC50:  2.37E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair