BDBM179888 US9133125, Table C, Compound 6

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

InChI Key InChIKey=JSRNTMOLJYTAIF-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 1 hit for monomerid = 179888   

TargetMu-type opioid receptor(Human)
Alkermes Pharma Ireland

US Patent
LigandPNGBDBM179888(US9133125, Table C, Compound 6)
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