Brief Information of the Compound and Protein
Compound Name
(1R,3R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
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PubChem ID
CID: 121410578
Canonical SMILES
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F
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Compound Formula C28H33F4N3O
Compound Structure
Protein Name
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 Homo sapiens (Human)  2
1
IC50 = 0.07943 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.19 nM
   TI
   LI
   LO
   TS
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 0.53 nM
   TI
   LI
   LO
   TS