Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[(3R,8E,11S)-3-(4-chlorophenyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]-N-[(4-chlorophenyl)methyl]acetamide
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 PubChem ID
CID: 70680398
SID: 163440988
Canonical SMILES
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccc(Cl)cc2)cc1
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Compound Formula C25H26Cl2N2O4
Compound Structure
Protein Name
 Protein Info 
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
CL000387 C3H/10T1/2 clone 8
 Cell Line Info 
Mus musculus (Mouse)  2
1
IC50 = 400 nM
   TI
   LI
   LO
   TS
2
IC50 = 600 nM
   TI
   LI
   LO
   TS
CL001057 Ptch-deficient MEF
 Cell Line Info 
Mus musculus (Mouse)  2
1
IC50 = 2000 nM
   TI
   LI
   LO
   TS
2
IC50 = 3500 nM
   TI
   LI
   LO
   TS