Brief Information of the Compound and Protein
Compound Name
 Compound Info 
ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate
    Show/Hide
 PubChem ID
CID: 57394020
SID: 163438542
Canonical SMILES
CCOC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
    Show/Hide
Compound Formula C20H24ClN3O4S
Compound Structure
Protein Name
 Protein Info 
Nuclear receptor subfamily 1 group D member 1
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 1
>
Nuclear hormone receptor subfamily 1 group D
>
Nuclear hormone receptor subfamily 1 group D member 1
Uniprot ID
P20393
Gene Name
NR1D1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 700 nM
   TI
   LI
   LO
   TS
2
IC50 = 670 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 620 nM
2 EC50 > 50000 nM
3 Kd = 800 nM