Brief Information of the Compound and Protein
Compound Name
(3R)-N-[2-(4-cyanophenyl)ethyl]-1-[5-fluoro-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperidine-3-carboxamide
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PubChem ID
CID: 90654585
Canonical SMILES
CN1CCN(CC1)c1nc(nc(C)c1F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N
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Compound Formula C25H32FN7O
Compound Structure
Protein Name
G-protein coupled bile acid receptor 1
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Lipid-like ligand receptor (family A GPCR)
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Steroid-like ligand receptor
Uniprot ID
Q80SS6
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
CL000001 Jurkat Homo sapiens (Human)  1
1
EC50 = 11 nM
   TI
   LI
   LO
   TS