BDBM50321598 (S)-3-((4R,7S,10S,13R,16S,22S)-16-((1H-imidazol-5-yl)methyl)-7-((1H-indol-3-yl)methyl)-22-amino-20-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-10-(3-guanidinopropyl)-13-(naphthalen-2-ylmethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-4-carboxamido)-4-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-oxobutanoic acid::CHEMBL1172248

SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CSSC[C@@H](N)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=YDLLMSIGAKQIBS-UHFFFAOYSA-N

Data  1 KI  6 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 7 hits for monomerid = 50321598   

TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321598((S)-3-((4R,7S,10S,13R,16S,22S)-16-((1H-imidazol-5-...)
Affinity DataKi:  5.90nMAssay 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
TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321598((S)-3-((4R,7S,10S,13R,16S,22S)-16-((1H-imidazol-5-...)
Affinity DataIC50: 13nMAssay 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
LigandPNGBDBM50321598((S)-3-((4R,7S,10S,13R,16S,22S)-16-((1H-imidazol-5-...)
Affinity DataIC50: 13nMAssay 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(Guinea pig)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321598((S)-3-((4R,7S,10S,13R,16S,22S)-16-((1H-imidazol-5-...)
Affinity DataIC50: 280nMAssay 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
TargetMelanocortin receptor 4(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321598((S)-3-((4R,7S,10S,13R,16S,22S)-16-((1H-imidazol-5-...)
Affinity DataIC50: 398nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMelanocortin receptor 4(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321598((S)-3-((4R,7S,10S,13R,16S,22S)-16-((1H-imidazol-5-...)
Affinity DataIC50: 398nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 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
LigandPNGBDBM50321598((S)-3-((4R,7S,10S,13R,16S,22S)-16-((1H-imidazol-5-...)
Affinity DataIC50: 610nMAssay 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