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BDBM199355 US9221831, 20

SMILES: CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5O[C@@H]2[C@]3(CCN1C)c45

InChI Key: InChIKey=SLLRNVZTIOXEHG-HGIVUAKSNA-N

Data: 3 KI  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 199355   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM199355
PNG
(US9221831, 20)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1/C29H32N2O3/c1-31-13-12-28-24-20-8-9-21(16-30)25(24)34-26(28)29(32-2)11-10-27(28,23(31)14-20)15-22(29)18-33-17-19-6-4-3-5-7-19/h3-9,22-23,26H,10-15,17-18H2,1-2H3/t22-,23-,26-,27-,28+,29-/s2
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PC cid
PC sid
UniChem
US Patent
1.76n/an/an/an/an/an/a7.4n/a



Purdue Pharma LP

US Patent


Assay 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 (recomb...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM199355
PNG
(US9221831, 20)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1/C29H32N2O3/c1-31-13-12-28-24-20-8-9-21(16-30)25(24)34-26(28)29(32-2)11-10-27(28,23(31)14-20)15-22(29)18-33-17-19-6-4-3-5-7-19/h3-9,22-23,26H,10-15,17-18H2,1-2H3/t22-,23-,26-,27-,28+,29-/s2
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US Patent
147 -10.1n/an/an/an/an/a7.450



Purdue Pharma LP

US Patent


Assay Description
Radioligand dose-displacement binding assays for t-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM199355
PNG
(US9221831, 20)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1/C29H32N2O3/c1-31-13-12-28-24-20-8-9-21(16-30)25(24)34-26(28)29(32-2)11-10-27(28,23(31)14-20)15-22(29)18-33-17-19-6-4-3-5-7-19/h3-9,22-23,26H,10-15,17-18H2,1-2H3/t22-,23-,26-,27-,28+,29-/s2
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US Patent
3.71E+3 -7.40n/an/an/an/an/a7.425



Purdue Pharma LP

US Patent


Assay Description
Delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.3 nM [3H]-Naltrindole (Perkin...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM199355
PNG
(US9221831, 20)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1/C29H32N2O3/c1-31-13-12-28-24-20-8-9-21(16-30)25(24)34-26(28)29(32-2)11-10-27(28,23(31)14-20)15-22(29)18-33-17-19-6-4-3-5-7-19/h3-9,22-23,26H,10-15,17-18H2,1-2H3/t22-,23-,26-,27-,28+,29-/s2
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n/an/an/an/a 252n/an/a7.425



Purdue Pharma LP

US Patent


Assay Description
[35S]GTPgammaS functional assays were conducted using freshly thawed u-receptor membranes (Perkin Elmer, Shelton, Conn.). Assay reactions were prepa...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM199355
PNG
(US9221831, 20)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C#N)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1/C29H32N2O3/c1-31-13-12-28-24-20-8-9-21(16-30)25(24)34-26(28)29(32-2)11-10-27(28,23(31)14-20)15-22(29)18-33-17-19-6-4-3-5-7-19/h3-9,22-23,26H,10-15,17-18H2,1-2H3/t22-,23-,26-,27-,28+,29-/s2
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US Patent
n/an/an/an/a 86.5n/an/a7.425



Purdue Pharma LP

US Patent


Assay Description
Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair