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Patent code US9862726

Compile Data Set for Download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364562
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-hydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)c3ccccc3)c2c1
Show InChI InChI=1/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(18-33-28,29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26?,27-,28-/s2
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0.0190n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364547
PNG
((4bR,6S,8aS,9R)-N-benzyl-11- (cyclopropylmethyl)-3...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NCc3ccccc3)c2c1
Show InChI InChI=1/C29H36N2O2/c1-32-24-10-9-23-15-26-29-12-11-27(20-33-29,30-17-21-5-3-2-4-6-21)19-28(29,25(23)16-24)13-14-31(26)18-22-7-8-22/h2-6,9-10,16,22,26,30H,7-8,11-15,17-20H2,1H3/t26-,27?,28-,29-/s2
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0.0260n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364552
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)c3ccccc3)c2c1
Show InChI InChI=1/C29H34N2O3/c1-33-23-10-9-22-15-25-29-12-11-27(19-34-29,30-26(32)21-5-3-2-4-6-21)18-28(29,24(22)16-23)13-14-31(25)17-20-7-8-20/h2-6,9-10,16,20,25H,7-8,11-15,17-19H2,1H3,(H,30,32)/t25-,27?,28-,29-/s2
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0.0320n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364548
PNG
((4bR,6S,8aS,9R)-N-(cyclohexylmethyl)-11- (cyclopro...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NCC3CCCCC3)c2c1
Show InChI InChI=1/C29H42N2O2/c1-32-24-10-9-23-15-26-29-12-11-27(20-33-29,30-17-21-5-3-2-4-6-21)19-28(29,25(23)16-24)13-14-31(26)18-22-7-8-22/h9-10,16,21-22,26,30H,2-8,11-15,17-20H2,1H3/t26-,27?,28-,29-/s2
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0.0520n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364561
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-hydr...)
Show SMILES CC(C)(C)C(=O)NC12CC[C@@]3(OC1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2
Show InChI InChI=1/C26H36N2O3/c1-23(2,3)22(30)27-24-8-9-26(31-16-24)21-12-18-6-7-19(29)13-20(18)25(26,15-24)10-11-28(21)14-17-4-5-17/h6-7,13,17,21,29H,4-5,8-12,14-16H2,1-3H3,(H,27,30)/t21-,24?,25-,26-/s2
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0.0560n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364559
PNG
(4-Chloro-N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NS(=O)(=O)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1/C28H33ClN2O4S/c1-34-22-7-4-20-14-25-28-11-10-26(18-35-28,30-36(32,33)23-8-5-21(29)6-9-23)17-27(28,24(20)15-22)12-13-31(25)16-19-2-3-19/h4-9,15,19,25,30H,2-3,10-14,16-18H2,1H3/t25-,26?,27-,28-/s2
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0.0570n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364561
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-hydr...)
Show SMILES CC(C)(C)C(=O)NC12CC[C@@]3(OC1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2
Show InChI InChI=1/C26H36N2O3/c1-23(2,3)22(30)27-24-8-9-26(31-16-24)21-12-18-6-7-19(29)13-20(18)25(26,15-24)10-11-28(21)14-17-4-5-17/h6-7,13,17,21,29H,4-5,8-12,14-16H2,1-3H3,(H,27,30)/t21-,24?,25-,26-/s2
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0.0590n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364562
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-hydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)c3ccccc3)c2c1
Show InChI InChI=1/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(18-33-28,29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26?,27-,28-/s2
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0.0620n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364549
PNG
((4bR,6S,8aS,9R)-6-amino-11- (cyclopropylmethyl)-5,...)
Show SMILES NC12CC[C@@]3(OC1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2
Show InChI InChI=1/C21H28N2O2/c22-19-5-6-21(25-13-19)18-9-15-3-4-16(24)10-17(15)20(21,12-19)7-8-23(18)11-14-1-2-14/h3-4,10,14,18,24H,1-2,5-9,11-13,22H2/t18-,19?,20-,21-/s2
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0.0960n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364559
PNG
(4-Chloro-N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NS(=O)(=O)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1/C28H33ClN2O4S/c1-34-22-7-4-20-14-25-28-11-10-26(18-35-28,30-36(32,33)23-8-5-21(29)6-9-23)17-27(28,24(20)15-22)12-13-31(25)16-19-2-3-19/h4-9,15,19,25,30H,2-3,10-14,16-18H2,1H3/t25-,26?,27-,28-/s2
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0.290n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364557
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)C3CC3)c2c1
Show InChI InChI=1/C26H34N2O3/c1-30-20-7-6-19-12-22-26-9-8-24(16-31-26,27-23(29)18-4-5-18)15-25(26,21(19)13-20)10-11-28(22)14-17-2-3-17/h6-7,13,17-18,22H,2-5,8-12,14-16H2,1H3,(H,27,29)/t22-,24?,25-,26-/s2
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0.300n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364556
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)C(C)(C)C)c2c1
Show InChI InChI=1/C27H38N2O3/c1-24(2,3)23(30)28-25-9-10-27(32-17-25)22-13-19-7-8-20(31-4)14-21(19)26(27,16-25)11-12-29(22)15-18-5-6-18/h7-8,14,18,22H,5-6,9-13,15-17H2,1-4H3,(H,28,30)/t22-,25?,26-,27-/s2
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0.330n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364555
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1/C29H33ClN2O3/c1-34-23-9-6-21-14-25-29-11-10-27(18-35-29,31-26(33)20-4-7-22(30)8-5-20)17-28(29,24(21)15-23)12-13-32(25)16-19-2-3-19/h4-9,15,19,25H,2-3,10-14,16-18H2,1H3,(H,31,33)/t25-,27?,28-,29-/s2
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0.600n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364558
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)CC(F)(F)F)c2c1
Show InChI InChI=1/C25H31F3N2O3/c1-32-18-5-4-17-10-20-24-7-6-22(15-33-24,29-21(31)12-25(26,27)28)14-23(24,19(17)11-18)8-9-30(20)13-16-2-3-16/h4-5,11,16,20H,2-3,6-10,12-15H2,1H3,(H,29,31)/t20-,22?,23-,24-/s2
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0.660n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364549
PNG
((4bR,6S,8aS,9R)-6-amino-11- (cyclopropylmethyl)-5,...)
Show SMILES NC12CC[C@@]3(OC1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2
Show InChI InChI=1/C21H28N2O2/c22-19-5-6-21(25-13-19)18-9-15-3-4-16(24)10-17(15)20(21,12-19)7-8-23(18)11-14-1-2-14/h3-4,10,14,18,24H,1-2,5-9,11-13,22H2/t18-,19?,20-,21-/s2
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0.790n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364548
PNG
((4bR,6S,8aS,9R)-N-(cyclohexylmethyl)-11- (cyclopro...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NCC3CCCCC3)c2c1
Show InChI InChI=1/C29H42N2O2/c1-32-24-10-9-23-15-26-29-12-11-27(20-33-29,30-17-21-5-3-2-4-6-21)19-28(29,25(23)16-24)13-14-31(26)18-22-7-8-22/h9-10,16,21-22,26,30H,2-8,11-15,17-20H2,1H3/t26-,27?,28-,29-/s2
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0.930n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364546
PNG
((4bR,6S,8aS,9R)-11-(cyclopropylmethyl)- 3,6-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(O)CC[C@@]34OC5=O)c2c1
Show InChI InChI=1/C21H25NO4/c23-15-4-3-14-9-17-21-6-5-20(25,18(24)26-21)12-19(21,16(14)10-15)7-8-22(17)11-13-1-2-13/h3-4,10,13,17,23,25H,1-2,5-9,11-12H2/t17-,19-,20?,21-/s2
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0.950n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364553
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)CCc3ccccc3)c2c1
Show InChI InChI=1/C31H38N2O3/c1-35-25-11-10-24-17-27-31-14-13-29(21-36-31,32-28(34)12-9-22-5-3-2-4-6-22)20-30(31,26(24)18-25)15-16-33(27)19-23-7-8-23/h2-6,10-11,18,23,27H,7-9,12-17,19-21H2,1H3,(H,32,34)/t27-,29?,30-,31-/s2
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1.58n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364560
PNG
(1-Chlorophenyl-3-((4bR,6S,8aS,9R)-11- (cyclopropyl...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)Nc3ccc(Cl)cc3)c2c1
Show InChI InChI=1/C29H34ClN3O3/c1-35-23-9-4-20-14-25-29-11-10-27(18-36-29,32-26(34)31-22-7-5-21(30)6-8-22)17-28(29,24(20)15-23)12-13-33(25)16-19-2-3-19/h4-9,15,19,25H,2-3,10-14,16-18H2,1H3,(H2,31,32,34)/t25-,27?,28-,29-/s2
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2.56n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364560
PNG
(1-Chlorophenyl-3-((4bR,6S,8aS,9R)-11- (cyclopropyl...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)Nc3ccc(Cl)cc3)c2c1
Show InChI InChI=1/C29H34ClN3O3/c1-35-23-9-4-20-14-25-29-11-10-27(18-36-29,32-26(34)31-22-7-5-21(30)6-8-22)17-28(29,24(20)15-23)12-13-33(25)16-19-2-3-19/h4-9,15,19,25H,2-3,10-14,16-18H2,1H3,(H2,31,32,34)/t25-,27?,28-,29-/s2
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3.51n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364545
PNG
((4bR,6S,8aS,9R)-11-(cyclopropylmethyl)-3- methoxy-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(N)CC[C@@]34OC5)c2c1
Show InChI InChI=1/C22H30N2O2/c1-25-17-5-4-16-10-19-22-7-6-20(23,14-26-22)13-21(22,18(16)11-17)8-9-24(19)12-15-2-3-15/h4-5,11,15,19H,2-3,6-10,12-14,23H2,1H3/t19-,20?,21-,22-/s2
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4.72n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364544
PNG
((4bR,6S,8aS,9R)-N,N-dibenzyl-11- (cyclopropylmethy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)N(Cc3ccccc3)Cc3ccccc3)c2c1
Show InChI InChI=1/C36H42N2O2/c1-39-31-15-14-30-20-33-36-17-16-34(26-40-36,25-35(36,32(30)21-31)18-19-37(33)22-29-12-13-29)38(23-27-8-4-2-5-9-27)24-28-10-6-3-7-11-28/h2-11,14-15,21,29,33H,12-13,16-20,22-26H2,1H3/t33-,34?,35-,36-/s2
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5.35n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364553
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)CCc3ccccc3)c2c1
Show InChI InChI=1/C31H38N2O3/c1-35-25-11-10-24-17-27-31-14-13-29(21-36-31,32-28(34)12-9-22-5-3-2-4-6-22)20-30(31,26(24)18-25)15-16-33(27)19-23-7-8-23/h2-6,10-11,18,23,27H,7-9,12-17,19-21H2,1H3,(H,32,34)/t27-,29?,30-,31-/s2
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9.26n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364546
PNG
((4bR,6S,8aS,9R)-11-(cyclopropylmethyl)- 3,6-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(O)CC[C@@]34OC5=O)c2c1
Show InChI InChI=1/C21H25NO4/c23-15-4-3-14-9-17-21-6-5-20(25,18(24)26-21)12-19(21,16(14)10-15)7-8-22(17)11-13-1-2-13/h3-4,10,13,17,23,25H,1-2,5-9,11-12H2/t17-,19-,20?,21-/s2
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10.1n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364555
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1/C29H33ClN2O3/c1-34-23-9-6-21-14-25-29-11-10-27(18-35-29,31-26(33)20-4-7-22(30)8-5-20)17-28(29,24(21)15-23)12-13-32(25)16-19-2-3-19/h4-9,15,19,25H,2-3,10-14,16-18H2,1H3,(H,31,33)/t25-,27?,28-,29-/s2
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24.7n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364547
PNG
((4bR,6S,8aS,9R)-N-benzyl-11- (cyclopropylmethyl)-3...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NCc3ccccc3)c2c1
Show InChI InChI=1/C29H36N2O2/c1-32-24-10-9-23-15-26-29-12-11-27(20-33-29,30-17-21-5-3-2-4-6-21)19-28(29,25(23)16-24)13-14-31(26)18-22-7-8-22/h2-6,9-10,16,22,26,30H,7-8,11-15,17-20H2,1H3/t26-,27?,28-,29-/s2
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25.9n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364552
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)c3ccccc3)c2c1
Show InChI InChI=1/C29H34N2O3/c1-33-23-10-9-22-15-25-29-12-11-27(19-34-29,30-26(32)21-5-3-2-4-6-21)18-28(29,24(22)16-23)13-14-31(25)17-20-7-8-20/h2-6,9-10,16,20,25H,7-8,11-15,17-19H2,1H3,(H,30,32)/t25-,27?,28-,29-/s2
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35.9n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364544
PNG
((4bR,6S,8aS,9R)-N,N-dibenzyl-11- (cyclopropylmethy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)N(Cc3ccccc3)Cc3ccccc3)c2c1
Show InChI InChI=1/C36H42N2O2/c1-39-31-15-14-30-20-33-36-17-16-34(26-40-36,25-35(36,32(30)21-31)18-19-37(33)22-29-12-13-29)38(23-27-8-4-2-5-9-27)24-28-10-6-3-7-11-28/h2-11,14-15,21,29,33H,12-13,16-20,22-26H2,1H3/t33-,34?,35-,36-/s2
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64.3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364557
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)C3CC3)c2c1
Show InChI InChI=1/C26H34N2O3/c1-30-20-7-6-19-12-22-26-9-8-24(16-31-26,27-23(29)18-4-5-18)15-25(26,21(19)13-20)10-11-28(22)14-17-2-3-17/h6-7,13,17-18,22H,2-5,8-12,14-16H2,1H3,(H,27,29)/t22-,24?,25-,26-/s2
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126n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364558
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)CC(F)(F)F)c2c1
Show InChI InChI=1/C25H31F3N2O3/c1-32-18-5-4-17-10-20-24-7-6-22(15-33-24,29-21(31)12-25(26,27)28)14-23(24,19(17)11-18)8-9-30(20)13-16-2-3-16/h4-5,11,16,20H,2-3,6-10,12-15H2,1H3,(H,29,31)/t20-,22?,23-,24-/s2
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136n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364542
PNG
((4bR,6S,8aS,9R)-6-amino-11- (cyclopropylmethyl)-3-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(N)CC[C@@]34OC5=O)c2c1
Show InChI InChI=1/C22H28N2O3/c1-26-16-5-4-15-10-18-22-7-6-21(23,19(25)27-22)13-20(22,17(15)11-16)8-9-24(18)12-14-2-3-14/h4-5,11,14,18H,2-3,6-10,12-13,23H2,1H3/t18-,20-,21?,22-/s2
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248n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364543
PNG
((4bR,6S,8aS,9R)-11-(cyclopropylmethyl)-6- hydroxy-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(O)CC[C@@]34OC5=O)c2c1
Show InChI InChI=1/C22H27NO4/c1-26-16-5-4-15-10-18-22-7-6-21(25,19(24)27-22)13-20(22,17(15)11-16)8-9-23(18)12-14-2-3-14/h4-5,11,14,18,25H,2-3,6-10,12-13H2,1H3/t18-,20-,21?,22-/s2
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251n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364556
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)C(C)(C)C)c2c1
Show InChI InChI=1/C27H38N2O3/c1-24(2,3)23(30)28-25-9-10-27(32-17-25)22-13-19-7-8-20(31-4)14-21(19)26(27,16-25)11-12-29(22)15-18-5-6-18/h7-8,14,18,22H,5-6,9-13,15-17H2,1-4H3,(H,28,30)/t22-,25?,26-,27-/s2
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265n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364545
PNG
((4bR,6S,8aS,9R)-11-(cyclopropylmethyl)-3- methoxy-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(N)CC[C@@]34OC5)c2c1
Show InChI InChI=1/C22H30N2O2/c1-25-17-5-4-16-10-19-22-7-6-20(23,14-26-22)13-21(22,18(16)11-17)8-9-24(19)12-15-2-3-15/h4-5,11,15,19H,2-3,6-10,12-14,23H2,1H3/t19-,20?,21-,22-/s2
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773n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364542
PNG
((4bR,6S,8aS,9R)-6-amino-11- (cyclopropylmethyl)-3-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(N)CC[C@@]34OC5=O)c2c1
Show InChI InChI=1/C22H28N2O3/c1-26-16-5-4-15-10-18-22-7-6-21(23,19(25)27-22)13-20(22,17(15)11-16)8-9-24(18)12-14-2-3-14/h4-5,11,14,18H,2-3,6-10,12-13,23H2,1H3/t18-,20-,21?,22-/s2
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1.33E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364563
PNG
((4bR,6S,8aS,9S)-11-(cyclopropylmethyl)-6- hydroxy-...)
Show SMILES COc1ccc2C(=O)[C@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(O)CC[C@@]34OC5=O)c2c1
Show InChI InChI=1/C22H25NO5/c1-27-14-4-5-15-16(10-14)20-8-9-23(11-13-2-3-13)18(17(15)24)22(20)7-6-21(26,12-20)19(25)28-22/h4-5,10,13,18,26H,2-3,6-9,11-12H2,1H3/t18-,20-,21+,22-/s2
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3.35E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364543
PNG
((4bR,6S,8aS,9R)-11-(cyclopropylmethyl)-6- hydroxy-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(O)CC[C@@]34OC5=O)c2c1
Show InChI InChI=1/C22H27NO4/c1-26-16-5-4-15-10-18-22-7-6-21(25,19(24)27-22)13-20(22,17(15)11-16)8-9-23(18)12-14-2-3-14/h4-5,11,14,18,25H,2-3,6-10,12-13H2,1H3/t18-,20-,21?,22-/s2
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PC sid
UniChem
US Patent
6.35E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364564
PNG
((4bR,6S,8aS,9R,10R)-11- (cyclopropylmethyl)-6,10-d...)
Show SMILES COc1ccc2[C@@H](O)[C@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(O)CC[C@@]34OC5=O)c2c1
Show InChI InChI=1/C22H27NO5/c1-27-14-4-5-15-16(10-14)20-8-9-23(11-13-2-3-13)18(17(15)24)22(20)7-6-21(26,12-20)19(25)28-22/h4-5,10,13,17-18,24,26H,2-3,6-9,11-12H2,1H3/t17-,18-,20-,21+,22-/s2
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>2.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364563
PNG
((4bR,6S,8aS,9S)-11-(cyclopropylmethyl)-6- hydroxy-...)
Show SMILES COc1ccc2C(=O)[C@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(O)CC[C@@]34OC5=O)c2c1
Show InChI InChI=1/C22H25NO5/c1-27-14-4-5-15-16(10-14)20-8-9-23(11-13-2-3-13)18(17(15)24)22(20)7-6-21(26,12-20)19(25)28-22/h4-5,10,13,18,26H,2-3,6-9,11-12H2,1H3/t18-,20-,21+,22-/s2
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US Patent
>2.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9862726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM364564
PNG
((4bR,6S,8aS,9R,10R)-11- (cyclopropylmethyl)-6,10-d...)
Show SMILES COc1ccc2[C@@H](O)[C@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(O)CC[C@@]34OC5=O)c2c1
Show InChI InChI=1/C22H27NO5/c1-27-14-4-5-15-16(10-14)20-8-9-23(11-13-2-3-13)18(17(15)24)22(20)7-6-21(26,12-20)19(25)28-22/h4-5,10,13,17-18,24,26H,2-3,6-9,11-12H2,1H3/t17-,18-,20-,21+,22-/s2
PDB

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US Patent
>2.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

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 US9862726 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%