Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(E)-guggulsterone
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 PubChem ID
CID: 6439929
SID: 12014199
Canonical SMILES
C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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Compound Formula C21H28O2
Compound Structure
Protein Name
 Protein Info 
Bile acid receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 1
>
Nuclear hormone receptor subfamily 1 group H
>
Nuclear hormone receptor subfamily 1 group H member 4
Uniprot ID
Q96RI1
Gene Name
NR1H4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  2
1
IC50 = 4100 nM
   TI
   LI
   LO
   TS
2
IC50 = 44000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 130 nM
2 EC50 = 220 nM
3 EC50 = 310 nM
4 EC50 = 380 nM
5 EC50 = 400 nM
6 EC50 = 420 nM
7 EC50 > 100000 nM
8 IC50 = 25000 nM
9 IC50 = 100000 nM
10 Ki > 5000 nM