BDBM309414 (2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2,4-dihydroxybenzyl)-3a,8-dihydroxy- 1,2,3,3a,4,5-hexahydro-4,9b-(epimino- ethano)cyclopenta[a]naphthalene-2- carboxamide::US9656962, Compound 42

SMILES Oc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)c(O)c1

InChI Key InChIKey=VPMOBDMYZKXITM-UHFFFAOYSA-N

Data  2 KI  2 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 = 309414   

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309414(US9656962, Compound 42 | (2S,3aS,4R,9bS)-12-(cyclo...)
Affinity DataEC50: >2.00E+4nMAssay 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
Go to US Patent

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309414(US9656962, Compound 42 | (2S,3aS,4R,9bS)-12-(cyclo...)
Affinity DataEC50:  0.320nMAssay 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

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309414(US9656962, Compound 42 | (2S,3aS,4R,9bS)-12-(cyclo...)
Affinity DataKi:  0.370nMAssay 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

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309414(US9656962, Compound 42 | (2S,3aS,4R,9bS)-12-(cyclo...)
Affinity DataKi:  0.400nMAssay 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
Go to US Patent