Brief Information of the Compound and Protein
Compound Name
2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
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PubChem ID
CID: 24776445
SID: 49701104
Canonical SMILES
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1
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Compound Formula C19H14Cl2N2O3S
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
Q99835
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
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 5.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 7 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 3 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
CL000426 Shh Light II Mus musculus (Mouse)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 74 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 2 nM
2 IC50 = 20 nM
3 Kd = 97.5 nM