BDBM228517 US9340542, 6

SMILES COc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c(=O)c(cc3C4)C(N)=O)c2c1

InChI Key InChIKey=HNGUFTHLDAQRHV-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 228517   

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM228517(US9340542, 6)
Affinity DataKi:  4.29E+3nMpH: 7.4Assay Description:Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2017
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM228517(US9340542, 6)
Affinity DataKi:  1.56E+4nM ΔG°:  -6.55kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2017
Entry Details
US Patent