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Patent code US9988392

Compile Data Set for Download or QSAR
Found 21 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM397448
PNG
(US9988392, Compound 9)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@]1(C)COCc1ccoc1)OC
Show InChI InChI=1S/C31H39NO5/c1-28(19-36-17-21-8-13-35-16-21)18-29-9-10-31(28,34-3)27-30(29)11-12-32(15-20-4-5-20)24(29)14-22-6-7-23(33-2)26(37-27)25(22)30/h6-8,13,16,20,24,27H,4-5,9-12,14-15,17-19H2,1-3H3/t24-,27-,28-,29-,30+,31?/m1/s1
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n/an/an/an/a 15.1n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397471
PNG
(US9988392, Compound 17)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@]1(C)COCc1cc2ccccc2s1)OC
Show InChI InChI=1S/C32H37NO4S/c1-29(19-36-17-22-15-20-7-5-6-8-24(20)38-22)18-30-11-12-32(29,35-4)28-31(30)13-14-33(2)25(30)16-21-9-10-23(34-3)27(37-28)26(21)31/h5-10,15,25,28H,11-14,16-19H2,1-4H3/t25-,28-,29-,30-,31+,32?/m1/s1
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n/an/an/an/a 74.2n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397470
PNG
(US9988392, Compound 16)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1S/C29H35NO4/c1-26(18-33-16-19-7-5-4-6-8-19)17-27-11-12-29(26,32-3)25-28(27)13-14-30(2)22(27)15-20-9-10-21(31)24(34-25)23(20)28/h4-10,22,25,31H,11-18H2,1-3H3/t22-,25-,26-,27-,28+,29?/m1/s1
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n/an/an/an/a 0.360n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM397188
PNG
(US9988392, Compound 8)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1cc4ccccc4s1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C34H39NO4S/c1-31(20-38-18-24-15-22-5-3-4-6-26(22)40-24)19-32-11-12-34(31,37-2)30-33(32)13-14-35(17-21-7-8-21)27(32)16-23-9-10-25(36)29(39-30)28(23)33/h3-6,9-10,15,21,27,30,36H,7-8,11-14,16-20H2,1-2H3/t27-,30-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a 0.270n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


Assay Description
κ-Opioid: Receptor Binding Assay Procedures: Membranes from HEK-293, CHO or U-2 OS cells expressing the recombinant human kappa opioid receptor ...


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397186
PNG
(US9988392, Compound 6)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@]1(C)COCc1ccccc1)OC
Show InChI InChI=1S/C33H41NO4/c1-30(21-37-19-23-7-5-4-6-8-23)20-31-13-14-33(30,36-3)29-32(31)15-16-34(18-22-9-10-22)26(31)17-24-11-12-25(35-2)28(38-29)27(24)32/h4-8,11-12,22,26,29H,9-10,13-21H2,1-3H3/t26-,29-,30-,31-,32+,33?/m1/s1
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n/an/an/an/a 8.81n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397466
PNG
(US9988392, Compound 10)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccoc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H37NO5/c1-27(18-35-16-20-7-12-34-15-20)17-28-8-9-30(27,33-2)26-29(28)10-11-31(14-19-3-4-19)23(28)13-21-5-6-22(32)25(36-26)24(21)29/h5-7,12,15,19,23,26,32H,3-4,8-11,13-14,16-18H2,1-2H3/t23-,26-,27-,28-,29+,30?/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM397186
PNG
(US9988392, Compound 6)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@]1(C)COCc1ccccc1)OC
Show InChI InChI=1S/C33H41NO4/c1-30(21-37-19-23-7-5-4-6-8-23)20-31-13-14-33(30,36-3)29-32(31)15-16-34(18-22-9-10-22)26(31)17-24-11-12-25(35-2)28(38-29)27(24)32/h4-8,11-12,22,26,29H,9-10,13-21H2,1-3H3/t26-,29-,30-,31-,32+,33?/m1/s1
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n/an/an/an/a 0.0850n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


Assay Description
κ-Opioid: Receptor Binding Assay Procedures: Membranes from HEK-293, CHO or U-2 OS cells expressing the recombinant human kappa opioid receptor ...


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397472
PNG
(US9988392, Compound 18)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1cc4ccccc4s1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1S/C31H35NO4S/c1-28(18-35-16-21-14-19-6-4-5-7-23(19)37-21)17-29-10-11-31(28,34-3)27-30(29)12-13-32(2)24(29)15-20-8-9-22(33)26(36-27)25(20)30/h4-9,14,24,27,33H,10-13,15-18H2,1-3H3/t24-,27-,28-,29-,30+,31?/m1/s1
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n/an/an/an/a 0.240n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397188
PNG
(US9988392, Compound 8)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1cc4ccccc4s1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C34H39NO4S/c1-31(20-38-18-24-15-22-5-3-4-6-26(22)40-24)19-32-11-12-34(31,37-2)30-33(32)13-14-35(17-21-7-8-21)27(32)16-23-9-10-25(36)29(39-30)28(23)33/h3-6,9-10,15,21,27,30,36H,7-8,11-14,16-20H2,1-2H3/t27-,30-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a 0.140n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM397466
PNG
(US9988392, Compound 10)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccoc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H37NO5/c1-27(18-35-16-20-7-12-34-15-20)17-28-8-9-30(27,33-2)26-29(28)10-11-31(14-19-3-4-19)23(28)13-21-5-6-22(32)25(36-26)24(21)29/h5-7,12,15,19,23,26,32H,3-4,8-11,13-14,16-18H2,1-2H3/t23-,26-,27-,28-,29+,30?/m1/s1
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n/an/an/an/a 0.0370n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


Assay Description
κ-Opioid: Receptor Binding Assay Procedures: Membranes from HEK-293, CHO or U-2 OS cells expressing the recombinant human kappa opioid receptor ...


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397186
PNG
(US9988392, Compound 6)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@]1(C)COCc1ccccc1)OC
Show InChI InChI=1S/C33H41NO4/c1-30(21-37-19-23-7-5-4-6-8-23)20-31-13-14-33(30,36-3)29-32(31)15-16-34(18-22-9-10-22)26(31)17-24-11-12-25(35-2)28(38-29)27(24)32/h4-8,11-12,22,26,29H,9-10,13-21H2,1-3H3/t26-,29-,30-,31-,32+,33?/m1/s1
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n/an/an/an/a 57.7n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397473
PNG
(US9988392, Compound 19)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@]1(C)COCc1ccoc1)OC
Show InChI InChI=1S/C28H35NO5/c1-25(17-33-15-18-7-12-32-14-18)16-26-8-9-28(25,31-4)24-27(26)10-11-29(2)21(26)13-19-5-6-20(30-3)23(34-24)22(19)27/h5-7,12,14,21,24H,8-11,13,15-17H2,1-4H3/t21-,24-,25-,26-,27+,28?/m1/s1
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n/an/an/an/a 402n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397466
PNG
(US9988392, Compound 10)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccoc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C30H37NO5/c1-27(18-35-16-20-7-12-34-15-20)17-28-8-9-30(27,33-2)26-29(28)10-11-31(14-19-3-4-19)23(28)13-21-5-6-22(32)25(36-26)24(21)29/h5-7,12,15,19,23,26,32H,3-4,8-11,13-14,16-18H2,1-2H3/t23-,26-,27-,28-,29+,30?/m1/s1
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n/an/an/an/a 0.130n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397467
PNG
((4R,4aS,6R,7R,7aR,12bS)-6-((benzylamino)methyl)-3-...)
Show SMILES COC12CC[C@@]3(C[C@]1(C)CNCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H40N2O3/c1-29(20-33-17-21-6-4-3-5-7-21)19-30-12-13-32(29,36-2)28-31(30)14-15-34(18-22-8-9-22)25(30)16-23-10-11-24(35)27(37-28)26(23)31/h3-7,10-11,22,25,28,33,35H,8-9,12-20H2,1-2H3/t25-,28-,29-,30-,31+,32?/m1/s1
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n/an/an/an/a 3.39n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397474
PNG
(US9988392, Compound 20)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccoc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1S/C27H33NO5/c1-24(16-32-14-17-6-11-31-13-17)15-25-7-8-27(24,30-3)23-26(25)9-10-28(2)20(25)12-18-4-5-19(29)22(33-23)21(18)26/h4-6,11,13,20,23,29H,7-10,12,14-16H2,1-3H3/t20-,23-,24-,25-,26+,27?/m1/s1
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n/an/an/an/a 3.46n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397187
PNG
(US9988392, Compound 7)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H39NO4/c1-29(20-36-18-22-6-4-3-5-7-22)19-30-12-13-32(29,35-2)28-31(30)14-15-33(17-21-8-9-21)25(30)16-23-10-11-24(34)27(37-28)26(23)31/h3-7,10-11,21,25,28,34H,8-9,12-20H2,1-2H3/t25-,28-,29-,30-,31+,32?/m1/s1
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n/an/an/an/a 0.0640n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397187
PNG
(US9988392, Compound 7)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H39NO4/c1-29(20-36-18-22-6-4-3-5-7-22)19-30-12-13-32(29,35-2)28-31(30)14-15-33(17-21-8-9-21)25(30)16-23-10-11-24(34)27(37-28)26(23)31/h3-7,10-11,21,25,28,34H,8-9,12-20H2,1-2H3/t25-,28-,29-,30-,31+,32?/m1/s1
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n/an/an/an/a 0.550n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM397187
PNG
(US9988392, Compound 7)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H39NO4/c1-29(20-36-18-22-6-4-3-5-7-22)19-30-12-13-32(29,35-2)28-31(30)14-15-33(17-21-8-9-21)25(30)16-23-10-11-24(34)27(37-28)26(23)31/h3-7,10-11,21,25,28,34H,8-9,12-20H2,1-2H3/t25-,28-,29-,30-,31+,32?/m1/s1
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US Patent
n/an/an/an/a 0.0470n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


Assay Description
κ-Opioid: Receptor Binding Assay Procedures: Membranes from HEK-293, CHO or U-2 OS cells expressing the recombinant human kappa opioid receptor ...


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397188
PNG
(US9988392, Compound 8)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1cc4ccccc4s1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C34H39NO4S/c1-31(20-38-18-24-15-22-5-3-4-6-26(22)40-24)19-32-11-12-34(31,37-2)30-33(32)13-14-35(17-21-7-8-21)27(32)16-23-9-10-25(36)29(39-30)28(23)33/h3-6,9-10,15,21,27,30,36H,7-8,11-14,16-20H2,1-2H3/t27-,30-,31-,32-,33+,34?/m1/s1
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n/an/an/an/a 1.34E+4n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397468
PNG
(US9988392, Compound 13)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@]1(C)COCc1cc2ccccc2s1)OC
Show InChI InChI=1S/C35H41NO4S/c1-32(21-39-19-25-16-23-6-4-5-7-27(23)41-25)20-33-12-13-35(32,38-3)31-34(33)14-15-36(18-22-8-9-22)28(33)17-24-10-11-26(37-2)30(40-31)29(24)34/h4-7,10-11,16,22,28,31H,8-9,12-15,17-21H2,1-3H3/t28-,31-,32-,33-,34+,35?/m1/s1
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n/an/an/an/a 14.6n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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


(Homo sapiens (Human))
BDBM397469
PNG
(US9988392, Compound 15)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@]1(C)COCc1ccccc1)OC
Show InChI InChI=1S/C30H37NO4/c1-27(19-34-17-20-8-6-5-7-9-20)18-28-12-13-30(27,33-4)26-29(28)14-15-31(2)23(28)16-21-10-11-22(32-3)25(35-26)24(21)29/h5-11,23,26H,12-19H2,1-4H3/t23-,26-,27-,28-,29+,30?/m1/s1
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n/an/an/an/a 16.5n/an/an/an/a



PURDUE PHARMA L.P.

US Patent


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


US Patent US9988392 (2018)

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