BDBM142702 US8937084, 4

SMILES NC(=O)CN1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O

InChI Key InChIKey=LYLWKMFSKRHION-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 142702   

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM142702(US8937084, 4)
Affinity DataKi:  0.550nM ΔG°:  -13.7kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2015
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM142702(US8937084, 4)
Affinity DataKi:  24.4nM ΔG°:  -11.2kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2015
Entry Details
US Patent

TargetDelta-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM142702(US8937084, 4)
Affinity DataKi:  49.0nM ΔG°:  -10.8kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2015
Entry Details
US Patent