BDBM50111904 (S)-4-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-(2,6-dimethyl-phenyl)-propionylamino]-4-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid::CHEMBL169439

SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O

InChI Key InChIKey=VHVQYLMFXQIOOO-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50111904   

TargetDelta-type opioid receptor(Rat)
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50111904((S)-4-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Affinity DataKi:  111nMAssay Description:Binding affinity against Opioid receptor delta 1 using [3H]DT in rat brain synaptosomes was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50111904((S)-4-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Affinity DataIC50: 145nMAssay Description:In vitro biological activity by electrically induced smooth muscle contractions in mouse vas deferens (Opioid receptor delta 1); inhibitory concentra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50111904((S)-4-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Affinity DataKi:  1.96E+3nMAssay Description:Binding affinity against Opioid receptor mu 1 using [3H]DAMGO in rat brain synaptosomes was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50111904((S)-4-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Affinity DataIC50: 8.21E+3nMAssay Description:In vitro biological activity by electrically induced smooth muscle contractions in guinea pig ileum (Opioid receptor mu 1); inhibitory concentration ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed