Brief Information of the Compound and Protein
Compound Name
(E)-3-[3,5-Difluoro-4-[(6S,8R)-7-(2-fluoro-2-methyl-propyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]-prop-2-enoic Acid
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PubChem ID
CID: 124148318
Canonical SMILES
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F
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Compound Formula C24H24F3N3O2
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)  5
1
IC50 = 0.2512 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.7943 nM
   TI
   LI
   LO
   TS
3
IC50 = 1 nM
   TI
   LI
   LO
   TS
4
IC50 = 7.943 nM
   TI
   LI
   LO
   TS
5
IC50 > 3162.28 nM
   TI
   LI
   LO
   TS