BDBM50145493 (2S,3R)-3-Cyclohexylmethyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL85881

SMILES Oc1ccc2O[C@H]([C@@H](CC3CCCCC3)Sc2c1)c1ccc(OCCN2CCCCC2)cc1

InChI Key InChIKey=KFAQEVOHKOACDL-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 = 50145493   

TargetEstrogen receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50145493((2S,3R)-3-Cyclohexylmethyl-2-[4-(2-piperidin-1-yl-...)
Affinity DataIC50: 3.90nMAssay 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
LigandPNGBDBM50145493((2S,3R)-3-Cyclohexylmethyl-2-[4-(2-piperidin-1-yl-...)
Affinity DataIC50: 40nMAssay 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
LigandPNGBDBM50145493((2S,3R)-3-Cyclohexylmethyl-2-[4-(2-piperidin-1-yl-...)
Affinity DataIC50: 67nMAssay Description:In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 67/1213More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed