BDBM50309554 CHEMBL577623::Mono-6-(17-estradiolphenylmethylamino)-6-deoxy-beta cyclodextrin

SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1ccc(CNC[C@H]2O[C@@H]3O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]2[C@H](O)[C@H]3O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc1

InChI Key InChIKey=LXESHIPCIIXEDS-UHFFFAOYSA-N

Data  1 EC50

  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 1 hit for monomerid = 50309554   

TargetEstrogen receptor(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50309554(Mono-6-(17-estradiolphenylmethylamino)-6-deoxy-bet...)
Affinity DataEC50:  4.00E+3nMAssay Description:Estrogenic activity at ERalpha in human Ishikawa cells assessed as stimulation of alkaline phosphatase activity after 4 days by microplate scanning s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed