BDBM309331 (2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(4-guanidinobutyl)-3a,8-dibydroxy- 1,2,3,3a,4,5-hexahydro-4,9b-(epimino- ethano)cyclopenta[a]naphthalene-2- carboxamide::US9656962, Compound 7

SMILES NC(=N)NCCCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1

InChI Key InChIKey=KKSGPBODUPPBKK-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 309331   

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309331(US9656962, Compound 7 | (2R,3aS,4R,9bS)-12-(cyclop...)
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
LigandPNGBDBM309331(US9656962, Compound 7 | (2R,3aS,4R,9bS)-12-(cyclop...)
Affinity DataEC50:  0.800nMAssay 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
LigandPNGBDBM309331(US9656962, Compound 7 | (2R,3aS,4R,9bS)-12-(cyclop...)
Affinity DataKi:  0.130nMAssay 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
LigandPNGBDBM309331(US9656962, Compound 7 | (2R,3aS,4R,9bS)-12-(cyclop...)
Affinity DataKi:  23.6nMAssay 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