BDBM50268529 (3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl-3-methyldecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone::CHEMBL525580

SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O

InChI Key InChIKey=VWVDKFKCFKUUJB-UHFFFAOYSA-N

Data  6 KI  2 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 8 hits for monomerid = 50268529   

TargetKappa-type opioid receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50268529((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Affinity DataKi:  167nMAssay Description:Displacement of [3H]diprenorphine from rat KOP stably expressed in CHO cell membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMu-type opioid receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50268529((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Affinity DataKi:  299nMAssay Description:Displacement of [3H]DAMGO from rat MOP stably expressed in CHO cell membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetKappa-type opioid receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50268529((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Affinity DataIC50: 397nMAssay Description:Antagonist activity at human KOP stably expressed in CHO cell membrane assessed as [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50268529((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50268529((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Affinity DataKi:  1.30E+3nMAssay Description:Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50268529((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Affinity DataIC50: 1.47E+3nMAssay Description:Antagonist activity at human MOP stably expressed in CHO cell membrane assessed as [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetMu-type opioid receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50268529((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Affinity DataKi:  2.20E+3nMAssay Description:Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
TBA

Curated by ChEMBL
LigandPNGBDBM50268529((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Affinity DataKi:  1.00E+4nMAssay Description:Displacement of [3H]DPDPE from mouse DOP stably expressed in CHO cell membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed