BDBM50117261 12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6-benzyl-5,8,11-trioxo-1-thia-4,7,10-triaza-cyclotridecane-3-carboxylic acid::CHEMBL122321

SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O

InChI Key InChIKey=CDLZQEQEXGEUBL-UHFFFAOYSA-N

Data  3 KI  2 IC50

  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 = 50117261   

TargetMu-type opioid receptor(Guinea pig)
University of California

Curated by ChEMBL
LigandPNGBDBM50117261(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Affinity DataIC50: 0.560nMAssay Description:Ability to inhibit electrically evoked contractions of isolated muscle preparations of guinea pig ileum (GPI, mu receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
University of California

Curated by ChEMBL
LigandPNGBDBM50117261(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Affinity DataIC50: 1.60nMAssay Description:Ability to inhibit electrically evoked contractions of isolated muscle preparations of mouse vas deferens (MVD, delta receptor)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50117261(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Affinity DataKi:  2nMAssay Description:Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (1.7-2.3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50117261(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Affinity DataKi:  2nMAssay Description:Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (1.8-2.2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50117261(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Affinity DataKi:  1.60E+3nMAssay Description:Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed