BDBM50145491 (2S,3R)-3-Isopropyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL313825

SMILES CC(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1

InChI Key InChIKey=QFCUMNGLFLVTRQ-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 = 50145491   

TargetEstrogen receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50145491((2S,3R)-3-Isopropyl-2-[4-(2-piperidin-1-yl-ethoxy)...)
Affinity DataIC50: 7nMAssay 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
LigandPNGBDBM50145491((2S,3R)-3-Isopropyl-2-[4-(2-piperidin-1-yl-ethoxy)...)
Affinity DataIC50: 105nMAssay 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
LigandPNGBDBM50145491((2S,3R)-3-Isopropyl-2-[4-(2-piperidin-1-yl-ethoxy)...)
Affinity DataIC50: 127nMAssay Description:In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 127/3316More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed