BDBM151177 BDBM151178::US8987287, 7

SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@]5(C[C@]4(CCN3CC3CC3)c2c1)NC(=O)NC5=O

InChI Key InChIKey=DNESVBVDIIHDKK-REIYTJMXSA-N

Data  3 KI

  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 3 hits for monomerid = 151177   

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM151177(BDBM151178 | US8987287, 7)
Affinity DataKi:  0.200nM ΔG°:  -13.2kcal/molepH: 7.4 T: 25°CAssay Description:Radioligand dose displacement assays used 0.4 nM [3H]-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(Human)
Purdue Pharma

US Patent
LigandPNGBDBM151177(BDBM151178 | US8987287, 7)
Affinity DataKi:  0.230nM ΔG°:  -13.1kcal/molepH: 7.4 T: 25°CAssay Description:Radioligand dose displacement assays used 0.4 nM [3H]-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(Human)
Purdue Pharma

US Patent
LigandPNGBDBM151177(BDBM151178 | US8987287, 7)
Affinity DataKi:  8.39nM ΔG°:  -11.9kcal/molepH: 7.4 T: 50°CAssay Description:mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...More data for this Ligand-Target Pair
In DepthDetails US Patent