BDBM309413 (2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihydroxy-N-(4-methylbenzyl)- 1,2,3,3a,4,5-hexahydro-4,9b- (epiminoethano)cyclopenta[a]naphthalene- 2-carboxamide::US9656962, Compound 38

SMILES Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1

InChI Key InChIKey=QOPVPTPMEYMTNK-UHFFFAOYSA-N

Data  1 KI  3 EC50

  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 4 hits for monomerid = 309413   

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309413(US9656962, Compound 38 | (2S,3aS,4R,9bS)-12-(cyclo...)
Affinity DataEC50:  0.620nMAssay Description:δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2019
Entry Details
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TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309413(US9656962, Compound 38 | (2S,3aS,4R,9bS)-12-(cyclo...)
Affinity DataEC50:  0.430nMAssay Description:Radioligand binding assays (screening and dose-displacement) use 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 μg...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2019
Entry Details
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TargetDelta-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309413(US9656962, Compound 38 | (2S,3aS,4R,9bS)-12-(cyclo...)
Affinity DataEC50:  1.56nMAssay Description: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2019
Entry Details
Go to US Patent

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309413(US9656962, Compound 38 | (2S,3aS,4R,9bS)-12-(cyclo...)
Affinity DataKi:  0.160nMAssay Description:Radioligand binding assays (screening and dose-displacement) use 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 μg...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2019
Entry Details
Go to US Patent