BDBM179889 US10752592, Compound TABLE C.-7::US9133125, Table C, Compound 7

SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)nc1

InChI Key InChIKey=MJARPNLDLZUFSF-UHFFFAOYSA-N

Data  2 KI  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 179889   

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179889(US9133125, Table C, Compound 7 | US10752592, Compo...)
Affinity DataEC50:  22nMpH: 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
LigandPNGBDBM179889(US9133125, Table C, Compound 7 | US10752592, Compo...)
Affinity DataEC50:  22nMAssay 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
LigandPNGBDBM179889(US9133125, Table C, Compound 7 | US10752592, Compo...)
Affinity DataIC50: 47nMAssay 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
LigandPNGBDBM179889(US9133125, Table C, Compound 7 | US10752592, Compo...)
Affinity DataKi:  0.680nM ΔG°:  -12.5kcal/mole IC50: 47nMpH: 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
LigandPNGBDBM179889(US9133125, Table C, Compound 7 | US10752592, Compo...)
Affinity DataKi:  0.680nMAssay 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