BDBM50166623 CHEMBL192998::N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-2-{4-[(toluene-4-sulfonylamino)-methyl]-phenyl}-acetamide

SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1

InChI Key InChIKey=DBMWKWBOQVTUTN-UHFFFAOYSA-N

Data  3 KI  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50166623   

TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166623(N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-...)
Affinity DataEC50:  14nMAssay Description:Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166623(N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-...)
Affinity DataIC50: 5.65E+3nMAssay Description:Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166623(N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-...)
Affinity DataKi:  1.70nMAssay Description:Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166623(N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-...)
Affinity DataKi:  27nMAssay Description:Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166623(N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-...)
Affinity DataKi:  703nMAssay Description:Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed