Brief Information of the Compound and Protein
Compound Name
6alpha-ethyl-23(S)-methyl-cholic acid
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PubChem ID
CID: 45483949
Canonical SMILES
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
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Compound Formula C27H46O5
Compound Structure
Protein Name
G-protein coupled bile acid receptor 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Lipid-like ligand receptor (family A GPCR)
>
Steroid-like ligand receptor
Uniprot ID
Q8TDU6
Gene Name
GPBAR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3440 nM
   TI
   LI
   LO
   TS
CL000386 Flp-In-CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 166 nM
   TI
   LI
   LO
   TS
2
EC50 = 5540 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 820 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  4
1
EC50 = 95.8 nM
   TI
   LI
   LO
   TS
2
EC50 = 293 nM
   TI
   LI
   LO
   TS
3
EC50 = 1004 nM
   TI
   LI
   LO
   TS
4
EC50 = 1230 nM
   TI
   LI
   LO
   TS
CL000126 NCI-H716 Homo sapiens (Human)  3
1
EC50 = 820 nM
   TI
   LI
   LO
   TS
2
EC50 = 900 nM
   TI
   LI
   LO
   TS
3
EC50 = 13000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 180 nM