Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-amino-3-formamidopropanoic acid]-3-[4-(sulfooxy)phenyl]propanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
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 PubChem ID
CID: 9833444
SID: 14792525
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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Compound Formula C49H62N10O16S3
Compound Structure
Protein Name
 Protein Info 
Gastrin/cholecystokinin type B receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Cholecystokinin receptor
Uniprot ID
P32239
Gene Name
CCKBR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 0.5012 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.2884 nM
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.12 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.3162 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
EC50 = 0.05012 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.3162 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.3467 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.2291 nM
2 IC50 = 0.3467 nM
3 IC50 = 0.92 nM
4 Ki = 0.3 nM
5 Ki = 0.37 nM