Brief Information of the Compound and Protein
Compound Name
(2R)-N-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
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PubChem ID
CID: 132991430
Canonical SMILES
C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C
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Compound Formula C28H29ClN4O
Compound Structure
Protein Name
Protein smoothened
Protein Classification
Membrane receptor
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Frizzled family G protein-coupled receptor
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Smoothened receptor (frizzled family GPCR)
Uniprot ID
P56726
Gene Name
SMO
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000426 Shh Light II Mus musculus (Mouse)  4
1
EC50 = 24.35 nM
   TI
   LI
   LO
   TS
2
EC50 = 47 nM
   TI
   LI
   LO
   TS
3
EC50 = 136.6 nM
   TI
   LI
   LO
   TS
4
IC50 = 9.53 nM
   TI
   LI
   LO
   TS