BDBM50346474 (R)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid methyl ester::(R)-methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate::(R)-methyl4-(2-(3,4-dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate::(S)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid methyl ester::4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid methyl ester::4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid methyl ester(GR89696)::CHEMBL277863::GR-103545::GR-89696

SMILES COC(=O)N1CCN([C@@H](C1)CN2CCCC2)C(=O)Cc3ccc(c(c3)Cl)Cl

InChI Key InChIKey=HJUAKZYKCANOOZ-UHFFFAOYSA-N

Data  5 KI

PDB links: 2 PDB IDs match this monomer.

  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 = 50346474   

TargetKappa-type opioid receptor(Human)
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50346474((R)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidi...)
Affinity DataKi:  0.450nMAssay Description:Displacement of [3H]U69593 from kappa opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Guinea pig)
Pharmazeutisches Institut Der Universit£T Freiburg

Curated by ChEMBL
LigandPNGBDBM50346474((R)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidi...)
Affinity DataKi:  0.450nMAssay Description:Affinity to opioid receptor kappa 1 using [3H]U-69593 as radioligand in homogenates of guinea pig brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Human)
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50346474((R)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidi...)
Affinity DataKi:  0.502nMAssay Description:Displacement of [3H]diprenorphine from human opioid kappa receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50346474((R)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidi...)
Affinity DataKi:  35nMAssay Description:Displacement of [3H]diprenorphine from human opioid mu receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50346474((R)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidi...)
Affinity DataKi:  422nMAssay Description:Displacement of [3H]diprenorphine from human opioid delta receptor expressed in HEK293 cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed