BDBM50254507 CHEMBL461227::US10287250, Compound B.11::US10752592, Compound TABLE B.11::US9133125, Table B, Compound 11::rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid amide

SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#7])=O

InChI Key InChIKey=QEQWWMMDCCFYBJ-UHFFFAOYSA-N

Data  6 KI  3 IC50  3 EC50

  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 11 hits for monomerid = 50254507   

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataEC50:  110nMpH: 7.4Assay Description:The EC50 and Imax for mu opioid receptors was determined using a [I35S]GTPgammaS binding assay. This assay measures the functional properties of a co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/16/2016
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataEC50:  110nMAssay Description:The EC50 and Imax for μ opioid receptors was determined using a [35S]GTPγS binding assay. This assay measures the functional properties of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2020
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataIC50: 1.30E+3nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2020
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataEC50:  100nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/11/2021
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataIC50: 1.30E+3nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/11/2021
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataKi:  2.10nM ΔG°:  -11.8kcal/mole IC50: 1.30E+3nMpH: 7.5 T: 2°CAssay Description:The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/16/2016
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataKi:  2.10nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2020
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataKi:  2.10nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/11/2021
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataKi:  5.20nMAssay Description:Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataKi:  5.60nMAssay Description:Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50254507(rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-en...)
Affinity DataKi:  220nMAssay Description:Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed