Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-butyl-11-[[(7S,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-7-yl]sulfanyl]-N-methylundecanamide
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 PubChem ID
CID: 15543007
Canonical SMILES
CCCCN(C)C(=O)CCCCCCCCCCS[C@H]1[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc2C1=O
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Compound Formula C34H53NO4S
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 = 28 nM
   TI
   LI
   LO
   TS
2
IC50 = 519 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 33 nM