BDBM179880 US10231963, Table B.26::US10287250, Compound B.8::US10736890, Compound TABLE B.26::US10752592, Compound TABLE B.8::US11534436, Compound Table B.26::US9133125, Table B, Compound 8::US9656961, Example 00143

SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6][C@]23[#6]-[#6](=O)-[#6]-[#6][C@@]2([#8])[#6@H]-1-[#6]-c1ccc(-[#6](-[#7])=O)c(-[#8])c31

InChI Key InChIKey=TWVUBPLZQNYBAN-UHFFFAOYSA-N

Data  7 KI  7 IC50  5 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 18 hits for monomerid = 179880   

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataEC50:  4.20nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataIC50: 34nMAssay 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:
2/20/2023
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataIC50: 34nMAssay 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
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataEC50:  4.20nMAssay 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
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataIC50: 34nMAssay 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:
4/4/2021
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataIC50: 34nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataIC50: 34nMAssay 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
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataEC50:  4.20nMAssay 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
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataIC50: 34nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataEC50:  4.20nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataEC50:  4.20nMpH: 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
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataKi:  0.560nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataKi:  0.560nM ΔG°:  -12.6kcal/mole IC50: 34nMpH: 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
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataKi:  0.560nMAssay 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
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataKi:  0.560nMAssay 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:
4/4/2021
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataKi:  0.560nMAssay 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
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataKi:  0.560nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2019
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179880(US9133125, Table B, Compound 8 | US9656961, Exampl...)
Affinity DataKi:  0.560nMAssay 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:
2/20/2023
Entry Details
Go to US Patent