BDBM50027029 CHEMBL413729

SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O

InChI Key InChIKey=OEVNATJQEUHLFE-UHFFFAOYSA-N

Data  3 KI  1 IC50

  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 4 hits for monomerid = 50027029   

TargetKappa-type opioid receptor(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50027029(CHEMBL413729)
Affinity DataKi:  2.40nMAssay Description:In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50027029(CHEMBL413729)
Affinity DataIC50: 440nMAssay Description:Antagonistic activity in theOpioid receptor kappa 1 -mediated [35S]GTP-gamma-S, binding assay against 50 nM U-50,488More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50027029(CHEMBL413729)
Affinity DataKi:  5.25E+3nMAssay Description:In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50027029(CHEMBL413729)
Affinity DataKi:  8.90E+3nMAssay Description:In vitro binding affinity to human Opioid receptor delta 1 on CHO cell membranes using [3H]diprenorphine displacement.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed