BDBM50342245 (S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2,6-diaminohexanamido)-5-guanidinopentanoyl)-N-(4-hydroxyphenethyl)pyrrolidine-2-carboxamido)acetamido)-3-methylpentanamido)-4-methylpentanoic acid::CHEMBL1766945

SMILES CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O

InChI Key InChIKey=KJKKBJNWVNYZOM-UHFFFAOYSA-N

Data  2 KI  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50342245   

TargetNeurotensin receptor type 2(Human)
Friedrich-Alexander University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50342245BDBM50342245((S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2,6-diamino...)
Affinity DataKi:  4.40nMAssay Description:Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetNeurotensin receptor type 2(Human)
Friedrich-Alexander University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50342245BDBM50342245((S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2,6-diamino...)
Affinity DataEC50:  690nMAssay Description:Agonist activity at human NTS2 receptor expressed in HEK293 cells assessed as inhibition of constitutive activity on MAPK-mediated luciferase activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetNeurotensin receptor type 1(Human)
Friedrich-Alexander University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50342245BDBM50342245((S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2,6-diamino...)
Affinity DataKi:  8.30E+3nMAssay Description:Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed