Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidazol-5-yl)methyl)-32-amino-14,17,20-tribenzyl-5-carbamoyl-23-(carboxymethyl)-8-isobutyl-15-methyl-29-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31-nonaoxo-2-thia-6,9,12,15,18,21,24,27,30-nonaazatetratriacontan-34-oic acid
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 PubChem ID
CID: 10102903
SID: 15090320
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
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Compound Formula C60H81N13O14S2
Compound Structure
Protein Name
 Protein Info 
Neuromedin-K receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Neurokinin receptor
Uniprot ID
P29371
Gene Name
TACR3
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)  4
1
EC50 = 0.013 nM
   TI
   LI
   LO
   TS
2
EC50 = 64 nM
   TI
   LI
   LO
   TS
3
IC50 = 3 nM
   TI
   LI
   LO
   TS
4
IC50 = 12 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
EC50 = 0.71 nM
   TI
   LI
   LO
   TS
2
EC50 = 2.22 nM
   TI
   LI
   LO
   TS
3
EC50 = 3.48 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.3 nM