Brief Information of the Compound and Protein
Compound Name
5-[[(1S,2R)-1-(5-bromo-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enyl]amino]-2H-isoquinolin-1-one
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PubChem ID
CID: 137639726
Canonical SMILES
CC(=C)C[C@@](O)([C@@H](Nc1cccc2c1cc[nH]c2=O)c1cc(Br)ccc1O)C(F)(F)F
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Compound Formula C22H20BrF3N2O3
Compound Structure
Protein Name
Glucocorticoid receptor
Protein Classification
Transcription factor
>
Nuclear receptor
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Nuclear hormone receptor subfamily 3
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Nuclear hormone receptor subfamily 3 group C
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Nuclear hormone receptor subfamily 3 group C member 1
Uniprot ID
P04150
Gene Name
NR3C1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  2
1
IC50 = 19.95 nM
   TI
   LI
   LO
   TS
2
IC50 = 158.49 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 63.1 nM
   TI
   LI
   LO
   TS
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 = 19.95 nM
   TI
   LI
   LO
   TS