Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(7S,8R,9S,13S,14S,17S)-7-(4-bromophenyl)sulfanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6,17-triol
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 PubChem ID
CID: 53323081
Canonical SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](Sc1ccc(Br)cc1)C(O)c1cc(O)ccc31
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Compound Formula C24H27BrO3S
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
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 397 nM