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](CCCCCc2cc(cc(c2C(=O)O1)O)O)O

InChI Key InChIKey=DWTTZBARDOXEAM-UHFFFAOYSA-N

Data  2 IC50  5 EC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 32073   

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

Curated by PubChem BioAssay
LigandPNGBDBM32073(Taleranol | SMR000060050 | CHEMBL450613 | Zearalan...)
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 Depth
Date in BDB:
10/9/2009
Entry Details
PCBioAssay
TargetHeat shock protein HSP 90-alpha(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32073(Taleranol | SMR000060050 | CHEMBL450613 | Zearalan...)
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 Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Bayer Healthcare

Curated by ChEMBL
LigandPNGBDBM32073(Taleranol | SMR000060050 | CHEMBL450613 | Zearalan...)
Affinity DataEC50:  24nMAssay Description:Agonist activity at ERbeta by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM32073(Taleranol | SMR000060050 | CHEMBL450613 | Zearalan...)
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
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM32073(Taleranol | SMR000060050 | CHEMBL450613 | Zearalan...)
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
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor subfamily 1 group I member 2(Rat)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM32073(Taleranol | SMR000060050 | CHEMBL450613 | Zearalan...)
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 Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM32073(Taleranol | SMR000060050 | CHEMBL450613 | Zearalan...)
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
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)