BDBM309374 (2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihydroxy-1,2,3,3a,4,5-hexahydro- 4,9b-(epiminoethano)-cyclopenta- [a]naphthalene-2-carboxylic acid::US9656962, Compound 16

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

InChI Key InChIKey=UNYTXCFUSXJNAQ-UHFFFAOYSA-N

Data  2 KI  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 309374   

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309374(US9656962, Compound 16 | (2R,3aS,4R,9bS)-12-(cyclo...)
Affinity DataEC50:  12.4nMAssay 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
US Patent

TargetKappa-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309374(US9656962, Compound 16 | (2R,3aS,4R,9bS)-12-(cyclo...)
Affinity DataKi:  17.3nMAssay 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
US Patent

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309374(US9656962, Compound 16 | (2R,3aS,4R,9bS)-12-(cyclo...)
Affinity DataKi:  55.6nMAssay 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
US Patent

TargetMu-type opioid receptor(Human)
Purdue Pharma

US Patent
LigandPNGBDBM309374(US9656962, Compound 16 | (2R,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
US Patent