Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethyl-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid

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PubChem ID

CID: 447715

SID: 123055342

Canonical SMILES	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 Show/Hide
Compound Formula	C26H44O4

Compound Structure

Protein Name

Protein Info

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 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	EC50 = 755 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	2
1	EC50 = 23.7 nM	TI LI LO TS
2	EC50 = 840 nM	TI LI LO TS
CL000126	NCI-H716 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 15000 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 100 nM
2	EC50 = 918 nM