Brief Information of the Compound and Protein
Compound Name
 Compound Info 
LJN-452
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Canonical SMILES
OC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
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Compound Formula C29H25F4N3O5S
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
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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
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 0.7 nM
   TI
   LI
   LO
   TS
2
EC50 = 180 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 0.5 nM