BDBM50166631 2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide::CHEMBL363718

SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O

InChI Key InChIKey=IOMBTJHDNAUCSO-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 = 50166631   

TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166631(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)
Affinity DataEC50:  9nMAssay 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
TargetCytochrome P450 2D6(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166631(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)
Affinity DataIC50: 1.04E+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
LigandPNGBDBM50166631(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)
Affinity DataKi:  1.90nMAssay 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
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166631(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)
Affinity DataKi:  74nMAssay 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
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166631(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)
Affinity DataKi:  1.50E+3nMAssay 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