BDBM179875 US10231963, Table B.21::US10752592, Compound TABLE B.3::US11534436, Compound Table B.21::US9133125, Table B, Compound 3::US9656961, Example 00138

SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4CCC(=C)C[C@]4(CCN3CC3CCC3)c2c1O

InChI Key InChIKey=QTCGTXSVMPVICZ-UHFFFAOYSA-N

Data  5 KI  5 IC50  4 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 13 hits for monomerid = 179875   

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataEC50:  0.530nMpH: 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataEC50:  0.530nMAssay 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataIC50: 1.30nMAssay 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataEC50:  0.530nMAssay 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataIC50: 1.30nMAssay 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataEC50:  0.530nMAssay 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataIC50: 1.30nMAssay 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataIC50: 1.30nMAssay 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataKi:  0.0970nM ΔG°:  -13.7kcal/mole IC50: 1.30nMpH: 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataKi:  0.0970nMAssay 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataKi:  0.0970nMAssay 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataKi:  0.0970nMAssay 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
LigandPNGBDBM179875(US9133125, Table B, Compound 3 | US9656961, Exampl...)
Affinity DataKi:  0.0970nMAssay 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