Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
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 PubChem ID
CID: 132837
SID: 14834361
Canonical SMILES
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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Compound Formula C22H18F6N2O3
Compound Structure
Protein Name
 Protein Info 
Substance-P receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
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Neurokinin receptor
Uniprot ID
P25103
Gene Name
TACR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  9
1
IC50 = 1.479 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.585 nM
   TI
   LI
   LO
   TS
3
IC50 = 1.6 nM
   TI
   LI
   LO
   TS
4
IC50 = 2.5 nM
   TI
   LI
   LO
   TS
5
IC50 = 3.3 nM
   TI
   LI
   LO
   TS
6
IC50 = 8.1 nM
   TI
   LI
   LO
   TS
7
IC50 = 398.11 nM
   TI
   LI
   LO
   TS
8
Ki = 0.73 nM
   TI
   LI
   LO
   TS
9
Ki = 134 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.479 nM
2 IC50 = 1.6 nM
3 IC50 = 3.236 nM
4 Ki = 0.73 nM