BDBM50252860 (S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-guanidino-2-((2S,3S)-2-((S)-5-guanidino-2-((S)-5-guanidino-2-((S)-2-((S)-2-(2-(2-((S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-methylpropanamido)acetamido)acetamido)-3-phenylpropanamido)-4-methylpentanamido)pentanamido)pentanamido)-3-methylpentanamido)pentanoyl)pyrrolidine-2-carboxamide::CHEMBL506821::[(2S)-Mdp1]Dyn A(1-11)-NH2

SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O

InChI Key InChIKey=LZDCVOYIAFYLRC-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50252860   

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

Curated by ChEMBL
LigandPNGBDBM50252860((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...)
Affinity DataKi:  0.823nMAssay 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
TargetKappa-type opioid receptor(Guinea pig)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50252860((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...)
Affinity DataKi:  0.823nMAssay Description:Binding affinity was measured on opioid receptor kappa 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50252860((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...)
Affinity DataKi:  163nMAssay 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
TargetDelta-type opioid receptor(Mouse)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50252860((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...)
Affinity DataKi:  163nMAssay Description:Binding affinity was measured on delta opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50252860((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...)
Affinity DataKi:  213nMAssay 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
TargetMu-type opioid receptor(Guinea pig)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50252860((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...)
Affinity DataKi:  213nMAssay Description:Binding affinity was measured on mu opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed