BDBM50252859 (S)-1-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-2-(2-(2-((S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-methylpropanamido)acetamido)acetamido)-3-phenylpropanamido)-4-methylpentanamido)-5-guanidinopentanamido)-5-guanidinopentanamido)-3-methylpentanamido)-5-guanidinopentanoyl)-N-((S)-1,6-diamino-1-oxohexan-2-yl)pyrrolidine-2-carboxamide::CHEMBL501892

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(C(N)=O)cc1C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key InChIKey=AJSWKZBRUDYMIA-UHFFFAOYSA-N

Data  3 KI

  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 = 50252859   

TargetKappa-type opioid receptor(Guinea pig)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50252859BDBM50252859((S)-1-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-...)
Affinity DataKi:  26nMAssay Description:Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50252859BDBM50252859((S)-1-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-...)
Affinity DataKi:  27.2nMAssay Description:Displacement of [3H]DSLET from delta opioid receptor in rat brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
National University of Singapore

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50252859BDBM50252859((S)-1-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-...)
Affinity DataKi:  29.6nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in rat brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed