Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-(cyanomethyl)-1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
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 PubChem ID
CID: 137648901
Canonical SMILES
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NCC#N
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Compound Formula C28H41N3O3
Compound Structure
Protein Name
 Protein Info 
Vitamin D3 receptor
Protein Classification
Transcription factor
>
Nuclear receptor
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Nuclear hormone receptor subfamily 1
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Nuclear hormone receptor subfamily 1 group I
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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
CL000018 HL-60
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 1080 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 825 nM