Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]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: 25077406
SID: 14842310
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
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Compound Formula C78H121N21O20
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
IC50 = 0.49 nM
   TI
   LI
   LO
   TS
2
Kd = 0.59 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.23 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 1.6 nM
   TI
   LI
   LO
   TS
2
Ki = 2.1 nM
   TI
   LI
   LO
   TS
CL000007 HT-29
 Cell Line Info 
Homo sapiens (Human)  3
1
EC50 = 1.98 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.2 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.62 nM
   TI
   LI
   LO
   TS
CL000202 WiDr
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 0.46 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.24 nM
2 IC50 = 0.33 nM
3 IC50 = 1.4 nM
4 IC50 = 1.8 nM
5 IC50 = 2.19 nM
6 Ki = 0.27 nM
7 Ki = 1.2 nM
8 Ki = 1.5 nM
9 Ki = 1.64 nM