BDBM50166624 CHEMBL447185::N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-2-{4-[(propane-2-sulfonylamino)-methyl]-phenyl}-acetamide

SMILES CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1

InChI Key InChIKey=QHKVIUNOCQLNNO-UHFFFAOYSA-N

Data  3 KI  1 EC50

  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 4 hits for monomerid = 50166624   

TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166624(N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-...)
Affinity DataKi:  2.70nMAssay 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
TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166624(N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-...)
Affinity DataEC50:  2.80nMAssay 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
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166624(N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-...)
Affinity DataKi:  470nMAssay 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
LigandPNGBDBM50166624(N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-...)
Affinity DataKi:  1.10E+3nMAssay 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