Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-3-(4-(3-(4-((S)-2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)propane-1,2-diol
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 PubChem ID
CID: 44455888
Canonical SMILES
CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1
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Compound Formula C28H42O5
Compound Structure
Protein Name
 Protein Info 
Vitamin D3 receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 1
>
Nuclear hormone receptor subfamily 1 group I
>
Nuclear hormone receptor subfamily 1 group I member 1
Uniprot ID
P11473
Gene Name
VDR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000034 Caco-2
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 21.1 nM
   TI
   LI
   LO
   TS
CL000018 HL-60
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 23 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 11 nM