Brief Information of the Compound and Protein
Compound Name
 Compound Info 
17alpha-(17-1,2,3-Triazolmethyl)ethynyl-estra-1,3,5(10)-triene-3,17b-diol
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 PubChem ID
CID: 46231226
Canonical SMILES
Cn1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
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Compound Formula C21H27N3O2
Compound Structure
Protein Name
 Protein Info 
Estrogen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
>
Nuclear hormone receptor subfamily 3 group A
>
Nuclear hormone receptor subfamily 3 group A member 1
Uniprot ID
P03372
Gene Name
ESR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000211 Ishikawa
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 27 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 400 nM