Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
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 PubChem ID
CID: 5311318
SID: 14816016
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
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Compound Formula C38H64N12O8
Compound Structure
Protein Name
 Protein Info 
Neurotensin receptor type 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Neurotensin receptor
Uniprot ID
P30989
Gene Name
NTSR1
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)  2
1
EC50 = 0.0416 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.06918 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  10
1
EC50 = 0.4 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.6 nM
   TI
   LI
   LO
   TS
3
EC50 = 1.42 nM
   TI
   LI
   LO
   TS
4
EC50 = 1.85 nM
   TI
   LI
   LO
   TS
5
IC50 = 0.8 nM
   TI
   LI
   LO
   TS
6
IC50 = 0.82 nM
   TI
   LI
   LO
   TS
7
Ki = 0.24 nM
   TI
   LI
   LO
   TS
8
Ki = 0.9 nM
   TI
   LI
   LO
   TS
9
Ki = 1.07 nM
   TI
   LI
   LO
   TS
10
Ki = 1.29 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 0.15 nM
   TI
   LI
   LO
   TS
CL000007 HT-29
 Cell Line Info 
Homo sapiens (Human)  3
1
EC50 = 1.202 nM
   TI
   LI
   LO
   TS
2
Ki = 0.1288 nM
   TI
   LI
   LO
   TS
3
Ki = 0.33 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.24 nM