BDBM50321601 (2S,5R,11S,18S,21S)-2-amino-21-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-18-((S)-2-((S)-2-((R)-2-((S)-2-amino-3-(1H-imidazol-5-yl)propanamido)-3-(4-chlorophenyl)propanamido)-5-guanidinopentanamido)-3-(1H-indol-3-yl)propanamido)-11-benzyl-1-(4-hydroxyphenyl)-5-methyl-3,6,9,12,19-pentaoxo-4,7,10,13,20-pentaazatricosan-23-oic acid::CHEMBL1172245

SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=VEMKPSHWNYIGPG-UHFFFAOYSA-N

Data  1 KI  4 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 5 hits for monomerid = 50321601   

TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321601((2S,5R,11S,18S,21S)-2-amino-21-((S)-1-amino-1-oxo-...)
Affinity DataKi:  7.40nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321601((2S,5R,11S,18S,21S)-2-amino-21-((S)-1-amino-1-oxo-...)
Affinity DataIC50: 7.90nMAssay Description:Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321601((2S,5R,11S,18S,21S)-2-amino-21-((S)-1-amino-1-oxo-...)
Affinity DataIC50: 32nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321601((2S,5R,11S,18S,21S)-2-amino-21-((S)-1-amino-1-oxo-...)
Affinity DataIC50: 240nMAssay Description:Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321601((2S,5R,11S,18S,21S)-2-amino-21-((S)-1-amino-1-oxo-...)
Affinity DataIC50: 330nMAssay Description:Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed