BDBM50295265 CHEMBL540482::N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)azetidine-3-carboxamide

SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CN(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1

InChI Key InChIKey=UADJBABTBBSBNY-UHFFFAOYSA-N

Data  2 KI  2 IC50

  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 4 hits for monomerid = 50295265   

TargetMu-type opioid receptor(Rat)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50295265BDBM50295265(N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylami...)
Affinity DataKi:  34nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50295265BDBM50295265(N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylami...)
Affinity DataKi:  40nMAssay Description:Displacement of [3H]DPDE from delta opioid receptor in rat brain membrane by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50295265BDBM50295265(N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylami...)
Affinity DataIC50: 1.40E+5nMAssay Description:Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated contractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50295265BDBM50295265(N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylami...)
Affinity DataIC50: 1.70E+5nMAssay Description:Agonist activity at delta opioid receptor in mouse vas deference assessed as inhibition of electrically-stimulated contractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed