Brief Information of the Compound and Protein
Compound Name
CHEMBL4875874
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Canonical SMILES
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCOCCCCCC[C@@H](C)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl
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Compound Formula C68H95ClN6O8S
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
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 200 nM
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