Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-butyl-N-methyl-11-[[(6R,7S,8R,9S,13S,14S,17S)-3,6,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]undecanamide
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 PubChem ID
CID: 15543008
Canonical SMILES
CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1[C@H](O)c2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
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Compound Formula C34H55NO4S
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
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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)  2
1
EC50 = 40 nM
   TI
   LI
   LO
   TS
2
IC50 = 316 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 32 nM