BDBM50174944 (S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-5-(propylsulfonamidomethyl)-2,3-dihydrobenzofuran-2-carboxamide::CHEMBL371018

SMILES CCCS(=O)(=O)NCc1ccc2O[C@@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1

InChI Key InChIKey=LUHWSRYUHCKNDP-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50174944   

TargetCytochrome P450 2D6(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50174944((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibitory activity against CYP2D6More 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
LigandPNGBDBM50174944((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Affinity DataKi:  3.30nMAssay Description:Agonistic activity at kappa opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed