BDBM236829 US9388162, 48

SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@@H](CCOCc5ccccc5)C[C@@]34O)c2c1

InChI Key InChIKey=KYHDFAGHHSCKRP-UHFFFAOYSA-N

Data  2 KI  4 EC50

  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 6 hits for monomerid = 236829   

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM236829(US9388162, 48)
Affinity DataEC50:  38.6nMpH: 7.4 T: 2°CAssay Description:[35S]GTPγS functional assays were conducted using freshly thawed μ-receptor membranes prepared from a cell line expressing recombinant μ ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM236829(US9388162, 48)
Affinity DataKi:  65.3nM ΔG°:  -9.80kcal/molepH: 7.4 T: 2°CAssay 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 (recombin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM236829(US9388162, 48)
Affinity DataKi:  223nM ΔG°:  -9.83kcal/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 membr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM236829(US9388162, 48)
Affinity DataEC50:  225nMpH: 7.4 T: 2°CAssay Description:Functional [35S]GTPγS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM236829(US9388162, 48)
Affinity DataEC50:  362nMpH: 7.4 T: 2°CAssay Description:Functional [35S]GTPγS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM236829(US9388162, 48)
Affinity DataEC50:  463nMpH: 7.4 T: 2°CAssay Description:[35S]GTPγS functional assays were conducted using freshly thawed μ-receptor membranes prepared from a cell line expressing recombinant μ ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details
US Patent