BDBM50166632 CHEMBL192520::N-Methyl-2-{4-[(3-methyl-ureido)-methyl]-phenyl}-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide

SMILES CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1

InChI Key InChIKey=VHFKZQZMAGFMSY-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 50166632   

TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50166632(N-Methyl-2-{4-[(3-methyl-ureido)-methyl]-phenyl}-N...)
Affinity DataEC50:  390nMAssay 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
LigandPNGBDBM50166632(N-Methyl-2-{4-[(3-methyl-ureido)-methyl]-phenyl}-N...)
Affinity DataIC50: 1.22E+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
LigandPNGBDBM50166632(N-Methyl-2-{4-[(3-methyl-ureido)-methyl]-phenyl}-N...)
Affinity DataKi:  6.10nMAssay 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
LigandPNGBDBM50166632(N-Methyl-2-{4-[(3-methyl-ureido)-methyl]-phenyl}-N...)
Affinity DataKi:  1.30E+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