BDBM50127336 (S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioic acid [(R)-1-(2,3-dimethoxy-benzyl)-pyrrolidin-2-ylmethyl]-amide::CHEMBL288468

SMILES COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC

InChI Key InChIKey=AKLJLFUKFIPLSF-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50127336   

TargetMu-type opioid receptor(Human)
Astrazeneca R&D Montreal

Curated by ChEMBL
LigandPNGBDBM50127336((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Affinity DataKi:  2.70nMAssay Description:Binding affinity for mu opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Astrazeneca R&D Montreal

Curated by ChEMBL
LigandPNGBDBM50127336((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Affinity DataKi:  40nMAssay Description:Binding affinity for kappa opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Astrazeneca R&D Montreal

Curated by ChEMBL
LigandPNGBDBM50127336((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Affinity DataKi:  113nMAssay Description:Binding affinity for delta opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed