BDBM50300356 (S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11-(3-(diisothiocyanatoamino)propyl)-2-(4-hydroxybenzyl)-15-(4-hydroxyphenyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecane)pyrrolidine-2-carboxamido)-3-hydroxypropanoic acid::CHEMBL584993

SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O

InChI Key InChIKey=KAIURMDWXDWNLH-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50300356   

TargetMu-type opioid receptor(Human)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50300356((S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11...)
Affinity DataIC50: 0.810nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50300356((S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11...)
Affinity DataIC50: 2.20nMAssay Description:Displacement of beta-[3H]FNA from mu opioid receptor in guinea pig brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50300356((S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11...)
Affinity DataIC50: 24nMAssay Description:Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed