BDBM50145485 (2S,3R)-3-Benzyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL85536

SMILES Oc1ccc2O[C@H]([C@@H](Cc3ccccc3)Sc2c1)c1ccc(OCCN2CCCCC2)cc1

InChI Key InChIKey=PLAHCTCPRXHVKW-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50145485   

TargetEstrogen receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50145485((2S,3R)-3-Benzyl-2-[4-(2-piperidin-1-yl-ethoxy)-ph...)
Affinity DataIC50: 7.40nMAssay Description:Binding affinity towards human estrogen receptor alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50145485((2S,3R)-3-Benzyl-2-[4-(2-piperidin-1-yl-ethoxy)-ph...)
Affinity DataIC50: 60nMAssay Description:Binding affinity towards human estrogen receptor beta (ERbeta)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50145485((2S,3R)-3-Benzyl-2-[4-(2-piperidin-1-yl-ethoxy)-ph...)
Affinity DataIC50: 61nMAssay Description:In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed