BDBM179894 US10287250, Compound C.12::US9133125, Table C, Compound 12

SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1C(N)=O

InChI Key InChIKey=SZOGKPIPCIDKSZ-YLVFBTJISA-N

Data  2 KI  2 IC50  2 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 5 hits for monomerid = 179894   

TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179894(US10287250, Compound C.12 | US9133125, Table C, Co...)
Affinity DataKi:  23nM ΔG°:  -10.4kcal/mole IC50: >3.00E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179894(US10287250, Compound C.12 | US9133125, Table C, Co...)
Affinity DataKi:  23nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179894(US10287250, Compound C.12 | US9133125, Table C, Co...)
Affinity DataIC50: >3.00E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179894(US10287250, Compound C.12 | US9133125, Table C, Co...)
Affinity DataEC50:  190nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179894(US10287250, Compound C.12 | US9133125, Table C, Co...)
Affinity DataEC50:  190nMpH: 7.4Assay Description:The EC50 and Imax for μ opioid receptors was determined using a [I35S]GTPγS binding assay. This assay measures the functional properties of a compo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent