BDBM50309552 CHEMBL605714::Mono-6-(17-estradiol-17-(1H-1,2,3-triazol-4-yl))-6-deoxy-beta-cyclodextrin

SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)c1cn(C[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)nn1

InChI Key InChIKey=CFNMQQBDOSHKJA-WGCBWCQTSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309552   

TargetEstrogen receptor(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50309552(CHEMBL605714 | Mono-6-(17-estradiol-17-(1H-1,2,3-t...)
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 DepthDetails ArticlePubMed