BDBM179896 US10287250, Compound C.14::US10752592, Compound TABLE C.0::US9133125, Table C, Compound 14::US9656961, Example 00164

SMILES CC1C2Cc3ccc(cc3[C@]1(C)CCN2CC1(C)CC1)C(N)=O

InChI Key InChIKey=JSRNTMOLJYTAIF-UHFFFAOYSA-N

Data  6 KI  6 IC50

  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 = 179896   

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataIC50: 44nMAssay 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
US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataIC50: 44nMAssay 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
US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataIC50: 44nMAssay 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
US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataIC50: 44nMAssay 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
US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataIC50: 44nMAssay 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
US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataKi:  1.20nMAssay 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
US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataKi:  1.20nMAssay 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:
2/27/2020
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataKi:  1.20nMAssay 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:
2/27/2020
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataKi:  1.20nM ΔG°:  -12.2kcal/mole IC50: 44nMpH: 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
US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataKi:  1.20nMAssay 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
US Patent

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179896(US9133125, Table C, Compound 14 | US9656961, Examp...)
Affinity DataKi:  1.20nMAssay 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
US Patent