Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-butyl-3-[6-[[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]hexanoylamino]-N-hydroxybenzamide
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 PubChem ID
CID: 127035369
Canonical SMILES
CCCCN(O)C(=O)c1cccc(NC(=O)CCCCCS[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)c1
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Compound Formula C35H48N2O5S
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
CL001063 T47D-KBluc
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 180 nM
   TI
   LI
   LO
   TS