BDBM162697 US9056836, 11::US9056836, 11/13::US9056836, 13

SMILES OC(=O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc13)\C2=C/C(O)=O

InChI Key InChIKey=UVJXIPXZFLGNGR-MZGCMSBRSA-N

Data  4 KI  1 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 5 hits for monomerid = 162697   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM162697(US9056836, 11 | US9056836, 11/13 | US9056836, 13)
Affinity DataKi:  33.1nM ΔG°:  -10.2kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose displacement assays used 0.4 nM [3]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM162697(US9056836, 11 | US9056836, 11/13 | US9056836, 13)
Affinity DataKi:  66.8nM ΔG°:  -9.78kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose displacement assays used 0.4 nM [3]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM162697(US9056836, 11 | US9056836, 11/13 | US9056836, 13)
Affinity DataKi:  621nM ΔG°:  -9.17kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membran...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM162697(US9056836, 11 | US9056836, 11/13 | US9056836, 13)
Affinity DataKi:  1.34E+3nM ΔG°:  -8.68kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membran...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM162697(US9056836, 11 | US9056836, 11/13 | US9056836, 13)
Affinity DataIC50:  66.8nMpH: 7.4 T: 2°CAssay Description:Radioligand dose displacement assays used 0.4 nM [3]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant ...More data for this Ligand-Target Pair
In DepthDetails US Patent