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Patent code US9656962

Compile Data Set for Download or QSAR
Found 87 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
Opioid receptors kappa


(Homo sapiens (human))
BDBM309411
PNG
((2S,3aS,4R,9bS)-N-benzyl-12- (cyclopropylmethyl)-3...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C27H32N2O3/c30-22-9-8-20-12-24-27(32)15-21(25(31)28-16-18-4-2-1-3-5-18)14-26(27,23(20)13-22)10-11-29(24)17-19-6-7-19/h1-5,8-9,13,19,21,24,30,32H,6-7,10-12,14-17H2,(H,28,31)/t21-,24+,26+,27+/m0/s1
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0.0830n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309329
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2-guani...)
Show SMILES NC(=N)NCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C23H33N5O3/c24-21(25)27-7-6-26-20(30)16-11-22-5-8-28(13-14-1-2-14)19(23(22,31)12-16)9-15-3-4-17(29)10-18(15)22/h3-4,10,14,16,19,29,31H,1-2,5-9,11-13H2,(H,26,30)(H4,24,25,27)/t16-,19-,22-,23-/m1/s1
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0.0980n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309331
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(4-guani...)
Show SMILES NC(=N)NCCCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C25H37N5O3/c26-23(27)29-9-2-1-8-28-22(32)18-13-24-7-10-30(15-16-3-4-16)21(25(24,33)14-18)11-17-5-6-19(31)12-20(17)24/h5-6,12,16,18,21,31,33H,1-4,7-11,13-15H2,(H,28,32)(H4,26,27,29)/t18-,21-,24-,25-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309413
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1
Show InChI InChI=1S/C28H34N2O3/c1-18-2-4-19(5-3-18)16-29-26(32)22-14-27-10-11-30(17-20-6-7-20)25(28(27,33)15-22)12-21-8-9-23(31)13-24(21)27/h2-5,8-9,13,20,22,25,31,33H,6-7,10-12,14-17H2,1H3,(H,29,32)/t22-,25+,27+,28+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309366
PNG
((2R,3aS,4R,9bS)-methyl-12- (cyclopropylmethyl)-3a,...)
Show SMILES COC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C21H27NO4/c1-26-19(24)15-10-20-6-7-22(12-13-2-3-13)18(21(20,25)11-15)8-14-4-5-16(23)9-17(14)20/h4-5,9,13,15,18,23,25H,2-3,6-8,10-12H2,1H3/t15-,18-,20-,21-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309414
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2,4-dih...)
Show SMILES Oc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)c(O)c1
Show InChI InChI=1S/C27H32N2O5/c30-20-5-3-17-9-24-27(34)13-19(25(33)28-14-18-4-6-21(31)11-23(18)32)12-26(27,22(17)10-20)7-8-29(24)15-16-1-2-16/h3-6,10-11,16,19,24,30-32,34H,1-2,7-9,12-15H2,(H,28,33)/t19-,24+,26+,27+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309414
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2,4-dih...)
Show SMILES Oc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)c(O)c1
Show InChI InChI=1S/C27H32N2O5/c30-20-5-3-17-9-24-27(34)13-19(25(33)28-14-18-4-6-21(31)11-23(18)32)12-26(27,22(17)10-20)7-8-29(24)15-16-1-2-16/h3-6,10-11,16,19,24,30-32,34H,1-2,7-9,12-15H2,(H,28,33)/t19-,24+,26+,27+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309366
PNG
((2R,3aS,4R,9bS)-methyl-12- (cyclopropylmethyl)-3a,...)
Show SMILES COC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C21H27NO4/c1-26-19(24)15-10-20-6-7-22(12-13-2-3-13)18(21(20,25)11-15)8-14-4-5-16(23)9-17(14)20/h4-5,9,13,15,18,23,25H,2-3,6-8,10-12H2,1H3/t15-,18-,20-,21-/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309415
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C26H37N3O4/c30-21-4-3-19-13-23-26(32)16-20(24(31)27-6-8-28-9-11-33-12-10-28)15-25(26,22(19)14-21)5-7-29(23)17-18-1-2-18/h3-4,14,18,20,23,30,32H,1-2,5-13,15-17H2,(H,27,31)/t20-,23+,25+,26+/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309408
PNG
((2R,3aS,4R,9bS)-N-benzyl-12- (cyclopropylmethyl)-3...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C27H32N2O3/c30-22-9-8-20-12-24-27(32)15-21(25(31)28-16-18-4-2-1-3-5-18)14-26(27,23(20)13-22)10-11-29(24)17-19-6-7-19/h1-5,8-9,13,19,21,24,30,32H,6-7,10-12,14-17H2,(H,28,31)/t21-,24-,26-,27-/m1/s1
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0.75n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309406
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES NC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H26N2O3/c21-18(24)14-9-19-5-6-22(11-12-1-2-12)17(20(19,25)10-14)7-13-3-4-15(23)8-16(13)19/h3-4,8,12,14,17,23,25H,1-2,5-7,9-11H2,(H2,21,24)/t14-,17-,19-,20-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309408
PNG
((2R,3aS,4R,9bS)-N-benzyl-12- (cyclopropylmethyl)-3...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C27H32N2O3/c30-22-9-8-20-12-24-27(32)15-21(25(31)28-16-18-4-2-1-3-5-18)14-26(27,23(20)13-22)10-11-29(24)17-19-6-7-19/h1-5,8-9,13,19,21,24,30,32H,6-7,10-12,14-17H2,(H,28,31)/t21-,24-,26-,27-/m1/s1
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1.39n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309416
PNG
((2S,3aS,4R,9bS)-3a,8-dihydroxy-12- methyl-N-phenet...)
Show SMILES CN1CC[C@]23C[C@@H](C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H30N2O3/c1-27-12-10-24-15-19(23(29)26-11-9-17-5-3-2-4-6-17)16-25(24,30)22(27)13-18-7-8-20(28)14-21(18)24/h2-8,14,19,22,28,30H,9-13,15-16H2,1H3,(H,26,29)/t19-,22+,24+,25+/m0/s1
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9.29n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309406
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES NC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H26N2O3/c21-18(24)14-9-19-5-6-22(11-12-1-2-12)17(20(19,25)10-14)7-13-3-4-15(23)8-16(13)19/h3-4,8,12,14,17,23,25H,1-2,5-7,9-11H2,(H2,21,24)/t14-,17-,19-,20-/m1/s1
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10.2n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309374
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES OC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H25NO4/c22-15-4-3-13-7-17-20(25)10-14(18(23)24)9-19(20,16(13)8-15)5-6-21(17)11-12-1-2-12/h3-4,8,12,14,17,22,25H,1-2,5-7,9-11H2,(H,23,24)/t14-,17-,19-,20-/m1/s1
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17.3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309329
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2-guani...)
Show SMILES NC(=N)NCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C23H33N5O3/c24-21(25)27-7-6-26-20(30)16-11-22-5-8-28(13-14-1-2-14)19(23(22,31)12-16)9-15-3-4-17(29)10-18(15)22/h3-4,10,14,16,19,29,31H,1-2,5-9,11-13H2,(H,26,30)(H4,24,25,27)/t16-,19-,22-,23-/m1/s1
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19.7n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309331
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(4-guani...)
Show SMILES NC(=N)NCCCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C25H37N5O3/c26-23(27)29-9-2-1-8-28-22(32)18-13-24-7-10-30(15-16-3-4-16)21(25(24,33)14-18)11-17-5-6-19(31)12-20(17)24/h5-6,12,16,18,21,31,33H,1-4,7-11,13-15H2,(H,28,32)(H4,26,27,29)/t18-,21-,24-,25-/m1/s1
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23.6n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309374
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES OC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H25NO4/c22-15-4-3-13-7-17-20(25)10-14(18(23)24)9-19(20,16(13)8-15)5-6-21(17)11-12-1-2-12/h3-4,8,12,14,17,22,25H,1-2,5-7,9-11H2,(H,23,24)/t14-,17-,19-,20-/m1/s1
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55.6n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309360
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a-hydroxy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(N)=O)c2c1
Show InChI InChI=1S/C21H28N2O3/c1-26-16-5-4-14-8-18-21(25)11-15(19(22)24)10-20(21,17(14)9-16)6-7-23(18)12-13-2-3-13/h4-5,9,13,15,18,25H,2-3,6-8,10-12H2,1H3,(H2,22,24)/t15-,18-,20-,21-/m1/s1
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182n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309360
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a-hydroxy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(N)=O)c2c1
Show InChI InChI=1S/C21H28N2O3/c1-26-16-5-4-14-8-18-21(25)11-15(19(22)24)10-20(21,17(14)9-16)6-7-23(18)12-13-2-3-13/h4-5,9,13,15,18,25H,2-3,6-8,10-12H2,1H3,(H2,22,24)/t15-,18-,20-,21-/m1/s1
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2.98E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors delta


(Homo sapiens (human))
BDBM309329
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2-guani...)
Show SMILES NC(=N)NCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C23H33N5O3/c24-21(25)27-7-6-26-20(30)16-11-22-5-8-28(13-14-1-2-14)19(23(22,31)12-16)9-15-3-4-17(29)10-18(15)22/h3-4,10,14,16,19,29,31H,1-2,5-9,11-13H2,(H,26,30)(H4,24,25,27)/t16-,19-,22-,23-/m1/s1
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7.71E+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 me...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM309329
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2-guani...)
Show SMILES NC(=N)NCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C23H33N5O3/c24-21(25)27-7-6-26-20(30)16-11-22-5-8-28(13-14-1-2-14)19(23(22,31)12-16)9-15-3-4-17(29)10-18(15)22/h3-4,10,14,16,19,29,31H,1-2,5-9,11-13H2,(H,26,30)(H4,24,25,27)/t16-,19-,22-,23-/m1/s1
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1.03E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM309406
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES NC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H26N2O3/c21-18(24)14-9-19-5-6-22(11-12-1-2-12)17(20(19,25)10-14)7-13-3-4-15(23)8-16(13)19/h3-4,8,12,14,17,23,25H,1-2,5-7,9-11H2,(H2,21,24)/t14-,17-,19-,20-/m1/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309418
PNG
((2R,3aS,4R,9bS)-2-amino-12- (cyclopropylmethyl)-1,...)
Show SMILES N[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C19H26N2O2/c20-14-9-18-5-6-21(11-12-1-2-12)17(19(18,23)10-14)7-13-3-4-15(22)8-16(13)18/h3-4,8,12,14,17,22-23H,1-2,5-7,9-11,20H2/t14-,17-,18-,19-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309406
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES NC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H26N2O3/c21-18(24)14-9-19-5-6-22(11-12-1-2-12)17(20(19,25)10-14)7-13-3-4-15(23)8-16(13)19/h3-4,8,12,14,17,23,25H,1-2,5-7,9-11H2,(H2,21,24)/t14-,17-,19-,20-/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
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309408
PNG
((2R,3aS,4R,9bS)-N-benzyl-12- (cyclopropylmethyl)-3...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C27H32N2O3/c30-22-9-8-20-12-24-27(32)15-21(25(31)28-16-18-4-2-1-3-5-18)14-26(27,23(20)13-22)10-11-29(24)17-19-6-7-19/h1-5,8-9,13,19,21,24,30,32H,6-7,10-12,14-17H2,(H,28,31)/t21-,24-,26-,27-/m1/s1
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n/an/an/an/a 7.03n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309413
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1
Show InChI InChI=1S/C28H34N2O3/c1-18-2-4-19(5-3-18)16-29-26(32)22-14-27-10-11-30(17-20-6-7-20)25(28(27,33)15-22)12-21-8-9-23(31)13-24(21)27/h2-5,8-9,13,20,22,25,31,33H,6-7,10-12,14-17H2,1H3,(H,29,32)/t22-,25+,27+,28+/m0/s1
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n/an/an/an/a 0.620n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309426
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2,4-dih...)
Show SMILES Oc1ccc(CNC(=O)[C@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)c(O)c1
Show InChI InChI=1S/C27H32N2O5/c30-20-5-3-17-9-24-27(34)13-19(25(33)28-14-18-4-6-21(31)11-23(18)32)12-26(27,22(17)10-20)7-8-29(24)15-16-1-2-16/h3-6,10-11,16,19,24,30-32,34H,1-2,7-9,12-15H2,(H,28,33)/t19-,24-,26-,27-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309432
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(3,4-dic...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccc(Cl)c(Cl)c3)c2c1
Show InChI InChI=1S/C27H30Cl2N2O3/c28-22-6-3-17(9-23(22)29)14-30-25(33)19-12-26-7-8-31(15-16-1-2-16)24(27(26,34)13-19)10-18-4-5-20(32)11-21(18)26/h3-6,9,11,16,19,24,32,34H,1-2,7-8,10,12-15H2,(H,30,33)/t19-,24+,26+,27+/m0/s1
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n/an/an/an/a 0.0300n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309434
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(4-fluor...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C27H31FN2O3/c28-21-6-3-17(4-7-21)15-29-25(32)20-13-26-9-10-30(16-18-1-2-18)24(27(26,33)14-20)11-19-5-8-22(31)12-23(19)26/h3-8,12,18,20,24,31,33H,1-2,9-11,13-16H2,(H,29,32)/t20-,24-,26-,27-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309440
PNG
((2R,3aS,4R,9bS)-N-(2-amino-2-oxoethyl)- 12-(cyclop...)
Show SMILES NC(=O)CNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C22H29N3O4/c23-19(27)11-24-20(28)15-9-21-5-6-25(12-13-1-2-13)18(22(21,29)10-15)7-14-3-4-16(26)8-17(14)21/h3-4,8,13,15,18,26,29H,1-2,5-7,9-12H2,(H2,23,27)(H,24,28)/t15-,18-,21-,22-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309441
PNG
((2R,3aS,4R,9bS)-3a,8-dihydroxy-12- methyl-1,2,3,3a...)
Show SMILES CN1CC[C@]23C[C@H](C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(N)=O
Show InChI InChI=1S/C17H22N2O3/c1-19-5-4-16-8-11(15(18)21)9-17(16,22)14(19)6-10-2-3-12(20)7-13(10)16/h2-3,7,11,14,20,22H,4-6,8-9H2,1H3,(H2,18,21)/t11-,14-,16-,17-/m1/s1
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n/an/an/an/a 580n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309455
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3ccncc3)c2c1
Show InChI InChI=1S/C26H31N3O3/c30-21-4-3-19-11-23-26(32)14-20(24(31)28-15-17-5-8-27-9-6-17)13-25(26,22(19)12-21)7-10-29(23)16-18-1-2-18/h3-6,8-9,12,18,20,23,30,32H,1-2,7,10-11,13-16H2,(H,28,31)/t20-,23-,25-,26-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309415
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C26H37N3O4/c30-21-4-3-19-13-23-26(32)16-20(24(31)27-6-8-28-9-11-33-12-10-28)15-25(26,22(19)14-21)5-7-29(23)17-18-1-2-18/h3-4,14,18,20,23,30,32H,1-2,5-13,15-17H2,(H,27,31)/t20-,23+,25+,26+/m0/s1
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n/an/an/an/a 1.52n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309419
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a-hydroxy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C#N)c2c1
Show InChI InChI=1S/C21H26N2O2/c1-25-17-5-4-16-8-19-21(24)11-15(12-22)10-20(21,18(16)9-17)6-7-23(19)13-14-2-3-14/h4-5,9,14-15,19,24H,2-3,6-8,10-11,13H2,1H3/t15-,19-,20-,21-/m1/s1
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n/an/an/an/a 616n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309420
PNG
((2S,3aS,4R,9bS)-2-amino-12- (cyclopropylmethyl)-8-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](N)C[C@@]34O)c2c1
Show InChI InChI=1S/C20H28N2O2/c1-24-16-5-4-14-8-18-20(23)11-15(21)10-19(20,17(14)9-16)6-7-22(18)12-13-2-3-13/h4-5,9,13,15,18,23H,2-3,6-8,10-12,21H2,1H3/t15-,18+,19+,20+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309414
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2,4-dih...)
Show SMILES Oc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)c(O)c1
Show InChI InChI=1S/C27H32N2O5/c30-20-5-3-17-9-24-27(34)13-19(25(33)28-14-18-4-6-21(31)11-23(18)32)12-26(27,22(17)10-20)7-8-29(24)15-16-1-2-16/h3-6,10-11,16,19,24,30-32,34H,1-2,7-9,12-15H2,(H,28,33)/t19-,24+,26+,27+/m0/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
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309432
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(3,4-dic...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccc(Cl)c(Cl)c3)c2c1
Show InChI InChI=1S/C27H30Cl2N2O3/c28-22-6-3-17(9-23(22)29)14-30-25(33)19-12-26-7-8-31(15-16-1-2-16)24(27(26,34)13-19)10-18-4-5-20(32)11-21(18)26/h3-6,9,11,16,19,24,32,34H,1-2,7-8,10,12-15H2,(H,30,33)/t19-,24+,26+,27+/m0/s1
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n/an/an/an/a 2.76n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309448
PNG
(1-((2R,3aS,4R,9bS)-12-(cyclopropyl- methyl)-3a,8-d...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)NC(=O)Nc3ccccc3)c2c1
Show InChI InChI=1S/C26H31N3O3/c30-21-9-8-18-12-23-26(32)15-20(28-24(31)27-19-4-2-1-3-5-19)14-25(26,22(18)13-21)10-11-29(23)16-17-6-7-17/h1-5,8-9,13,17,20,23,30,32H,6-7,10-12,14-16H2,(H2,27,28,31)/t20-,23-,25-,26-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309415
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C26H37N3O4/c30-21-4-3-19-13-23-26(32)16-20(24(31)27-6-8-28-9-11-33-12-10-28)15-25(26,22(19)14-21)5-7-29(23)17-18-1-2-18/h3-4,14,18,20,23,30,32H,1-2,5-13,15-17H2,(H,27,31)/t20-,23+,25+,26+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309329
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2-guani...)
Show SMILES NC(=N)NCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C23H33N5O3/c24-21(25)27-7-6-26-20(30)16-11-22-5-8-28(13-14-1-2-14)19(23(22,31)12-16)9-15-3-4-17(29)10-18(15)22/h3-4,10,14,16,19,29,31H,1-2,5-9,11-13H2,(H,26,30)(H4,24,25,27)/t16-,19-,22-,23-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309329
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2-guani...)
Show SMILES NC(=N)NCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C23H33N5O3/c24-21(25)27-7-6-26-20(30)16-11-22-5-8-28(13-14-1-2-14)19(23(22,31)12-16)9-15-3-4-17(29)10-18(15)22/h3-4,10,14,16,19,29,31H,1-2,5-9,11-13H2,(H,26,30)(H4,24,25,27)/t16-,19-,22-,23-/m1/s1
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n/an/an/an/a 0.860n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309425
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Oc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1
Show InChI InChI=1S/C27H32N2O4/c30-21-6-3-17(4-7-21)15-28-25(32)20-13-26-9-10-29(16-18-1-2-18)24(27(26,33)14-20)11-19-5-8-22(31)12-23(19)26/h3-8,12,18,20,24,30-31,33H,1-2,9-11,13-16H2,(H,28,32)/t20-,24+,26+,27+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309414
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2,4-dih...)
Show SMILES Oc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)c(O)c1
Show InChI InChI=1S/C27H32N2O5/c30-20-5-3-17-9-24-27(34)13-19(25(33)28-14-18-4-6-21(31)11-23(18)32)12-26(27,22(17)10-20)7-8-29(24)15-16-1-2-16/h3-6,10-11,16,19,24,30-32,34H,1-2,7-9,12-15H2,(H,28,33)/t19-,24+,26+,27+/m0/s1
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n/an/an/an/a 0.320n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309427
PNG
((2R,3aS,4R,9bS)-N-(4-chlorobenzyl)-12- (cyclopropy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C27H31ClN2O3/c28-21-6-3-17(4-7-21)15-29-25(32)20-13-26-9-10-30(16-18-1-2-18)24(27(26,33)14-20)11-19-5-8-22(31)12-23(19)26/h3-8,12,18,20,24,31,33H,1-2,9-11,13-16H2,(H,29,32)/t20-,24-,26-,27-/m1/s1
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n/an/an/an/a 8.35n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309449
PNG
((2R,3aS,4R,9bS)-12-(cyclopropyl- methyl)-3a,8-dihy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C26H37N3O4/c30-21-4-3-19-13-23-26(32)16-20(24(31)27-6-8-28-9-11-33-12-10-28)15-25(26,22(19)14-21)5-7-29(23)17-18-1-2-18/h3-4,14,18,20,23,30,32H,1-2,5-13,15-17H2,(H,27,31)/t20-,23-,25-,26-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309406
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES NC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H26N2O3/c21-18(24)14-9-19-5-6-22(11-12-1-2-12)17(20(19,25)10-14)7-13-3-4-15(23)8-16(13)19/h3-4,8,12,14,17,23,25H,1-2,5-7,9-11H2,(H2,21,24)/t14-,17-,19-,20-/m1/s1
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n/an/an/an/a 6.95n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309411
PNG
((2S,3aS,4R,9bS)-N-benzyl-12- (cyclopropylmethyl)-3...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C27H32N2O3/c30-22-9-8-20-12-24-27(32)15-21(25(31)28-16-18-4-2-1-3-5-18)14-26(27,23(20)13-22)10-11-29(24)17-19-6-7-19/h1-5,8-9,13,19,21,24,30,32H,6-7,10-12,14-17H2,(H,28,31)/t21-,24+,26+,27+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309423
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Cc1ccc(CNC(=O)[C@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1
Show InChI InChI=1S/C28H34N2O3/c1-18-2-4-19(5-3-18)16-29-26(32)22-14-27-10-11-30(17-20-6-7-20)25(28(27,33)15-22)12-21-8-9-23(31)13-24(21)27/h2-5,8-9,13,20,22,25,31,33H,6-7,10-12,14-17H2,1H3,(H,29,32)/t22-,25-,27-,28-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309429
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2,4-dic...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccc(Cl)cc3Cl)c2c1
Show InChI InChI=1S/C27H30Cl2N2O3/c28-20-5-3-18(23(29)10-20)14-30-25(33)19-12-26-7-8-31(15-16-1-2-16)24(27(26,34)13-19)9-17-4-6-21(32)11-22(17)26/h3-6,10-11,16,19,24,32,34H,1-2,7-9,12-15H2,(H,30,33)/t19-,24+,26+,27+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309430
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(3,4-dic...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3ccc(Cl)c(Cl)c3)c2c1
Show InChI InChI=1S/C27H30Cl2N2O3/c28-22-6-3-17(9-23(22)29)14-30-25(33)19-12-26-7-8-31(15-16-1-2-16)24(27(26,34)13-19)10-18-4-5-20(32)11-21(18)26/h3-6,9,11,16,19,24,32,34H,1-2,7-8,10,12-15H2,(H,30,33)/t19-,24-,26-,27-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309437
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(3,5-dif...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3cc(F)cc(F)c3)c2c1
Show InChI InChI=1S/C27H30F2N2O3/c28-20-7-17(8-21(29)10-20)14-30-25(33)19-12-26-5-6-31(15-16-1-2-16)24(27(26,34)13-19)9-18-3-4-22(32)11-23(18)26/h3-4,7-8,10-11,16,19,24,32,34H,1-2,5-6,9,12-15H2,(H,30,33)/t19-,24-,26-,27-/m1/s1
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n/an/an/an/a 6.17n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309439
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCCc3ccccc3)c2c1
Show InChI InChI=1S/C28H34N2O3/c31-23-9-8-21-14-25-28(33)17-22(26(32)29-12-10-19-4-2-1-3-5-19)16-27(28,24(21)15-23)11-13-30(25)18-20-6-7-20/h1-5,8-9,15,20,22,25,31,33H,6-7,10-14,16-18H2,(H,29,32)/t22-,25+,27+,28+/m0/s1
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n/an/an/an/a 0.490n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309452
PNG
(((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)N3CCSCC3)c2c1
Show InChI InChI=1S/C24H32N2O3S/c27-19-4-3-17-11-21-24(29)14-18(22(28)25-7-9-30-10-8-25)13-23(24,20(17)12-19)5-6-26(21)15-16-1-2-16/h3-4,12,16,18,21,27,29H,1-2,5-11,13-15H2/t18-,21-,23-,24-/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
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309456
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCCCN3CCOCC3)c2c1
Show InChI InChI=1S/C27H39N3O4/c31-22-5-4-20-14-24-27(33)17-21(25(32)28-7-1-8-29-10-12-34-13-11-29)16-26(27,23(20)15-22)6-9-30(24)18-19-2-3-19/h4-5,15,19,21,24,31,33H,1-3,6-14,16-18H2,(H,28,32)/t21-,24+,26+,27+/m0/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
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309374
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES OC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H25NO4/c22-15-4-3-13-7-17-20(25)10-14(18(23)24)9-19(20,16(13)8-15)5-6-21(17)11-12-1-2-12/h3-4,8,12,14,17,22,25H,1-2,5-7,9-11H2,(H,23,24)/t14-,17-,19-,20-/m1/s1
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n/an/an/an/a 12.4n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309421
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES NC(=O)[C@@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H26N2O3/c21-18(24)14-9-19-5-6-22(11-12-1-2-12)17(20(19,25)10-14)7-13-3-4-15(23)8-16(13)19/h3-4,8,12,14,17,23,25H,1-2,5-7,9-11H2,(H2,21,24)/t14-,17+,19+,20+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309408
PNG
((2R,3aS,4R,9bS)-N-benzyl-12- (cyclopropylmethyl)-3...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C27H32N2O3/c30-22-9-8-20-12-24-27(32)15-21(25(31)28-16-18-4-2-1-3-5-18)14-26(27,23(20)13-22)10-11-29(24)17-19-6-7-19/h1-5,8-9,13,19,21,24,30,32H,6-7,10-12,14-17H2,(H,28,31)/t21-,24-,26-,27-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309411
PNG
((2S,3aS,4R,9bS)-N-benzyl-12- (cyclopropylmethyl)-3...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C27H32N2O3/c30-22-9-8-20-12-24-27(32)15-21(25(31)28-16-18-4-2-1-3-5-18)14-26(27,23(20)13-22)10-11-29(24)17-19-6-7-19/h1-5,8-9,13,19,21,24,30,32H,6-7,10-12,14-17H2,(H,28,31)/t21-,24+,26+,27+/m0/s1
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n/an/an/an/a 0.0940n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309413
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1
Show InChI InChI=1S/C28H34N2O3/c1-18-2-4-19(5-3-18)16-29-26(32)22-14-27-10-11-30(17-20-6-7-20)25(28(27,33)15-22)12-21-8-9-23(31)13-24(21)27/h2-5,8-9,13,20,22,25,31,33H,6-7,10-12,14-17H2,1H3,(H,29,32)/t22-,25+,27+,28+/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309445
PNG
((2R,3aS,4R,9bS)-2-(benzylamino)-12- (cyclopropylme...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C26H32N2O2/c29-22-9-8-20-12-24-26(30)15-21(27-16-18-4-2-1-3-5-18)14-25(26,23(20)13-22)10-11-28(24)17-19-6-7-19/h1-5,8-9,13,19,21,24,27,29-30H,6-7,10-12,14-17H2/t21-,24-,25-,26-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309454
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3cccnc3)c2c1
Show InChI InChI=1S/C26H31N3O3/c30-21-6-5-19-10-23-26(32)13-20(24(31)28-15-18-2-1-8-27-14-18)12-25(26,22(19)11-21)7-9-29(23)16-17-3-4-17/h1-2,5-6,8,11,14,17,20,23,30,32H,3-4,7,9-10,12-13,15-16H2,(H,28,31)/t20-,23-,25-,26-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309458
PNG
(((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)N3CCS(=O)(=O)CC3)c2c1
Show InChI InChI=1S/C24H32N2O5S/c27-19-4-3-17-11-21-24(29)14-18(22(28)25-7-9-32(30,31)10-8-25)13-23(24,20(17)12-19)5-6-26(21)15-16-1-2-16/h3-4,12,16,18,21,27,29H,1-2,5-11,13-15H2/t18-,21+,23+,24+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309331
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(4-guani...)
Show SMILES NC(=N)NCCCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C25H37N5O3/c26-23(27)29-9-2-1-8-28-22(32)18-13-24-7-10-30(15-16-3-4-16)21(25(24,33)14-18)11-17-5-6-19(31)12-20(17)24/h5-6,12,16,18,21,31,33H,1-4,7-11,13-15H2,(H,28,32)(H4,26,27,29)/t18-,21-,24-,25-/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309443
PNG
((2S,3aS,4R,9bS)-3a,8-dihydroxy-12- methyl-1,2,3,3a...)
Show SMILES CN1CC[C@]23C[C@@H](C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(N)=O
Show InChI InChI=1S/C17H22N2O3/c1-19-5-4-16-8-11(15(18)21)9-17(16,22)14(19)6-10-2-3-12(20)7-13(10)16/h2-3,7,11,14,20,22H,4-6,8-9H2,1H3,(H2,18,21)/t11-,14+,16+,17+/m0/s1
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n/an/an/an/a 308n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309446
PNG
((2R,3aS,4R,9bS)-12-(cyclopropyl- methyl)-2-(dibenz...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)N(Cc3ccccc3)Cc3ccccc3)c2c1
Show InChI InChI=1S/C33H38N2O2/c36-29-14-13-27-17-31-33(37)20-28(19-32(33,30(27)18-29)15-16-34(31)21-26-11-12-26)35(22-24-7-3-1-4-8-24)23-25-9-5-2-6-10-25/h1-10,13-14,18,26,28,31,36-37H,11-12,15-17,19-23H2/t28-,31-,32-,33-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309417
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a-hydroxy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(O)=O)c2c1
Show InChI InChI=1S/C21H27NO4/c1-26-16-5-4-14-8-18-21(25)11-15(19(23)24)10-20(21,17(14)9-16)6-7-22(18)12-13-2-3-13/h4-5,9,13,15,18,25H,2-3,6-8,10-12H2,1H3,(H,23,24)/t15-,18+,20+,21+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309422
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES CC(C)CNC(=O)[C@@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C24H34N2O3/c1-15(2)13-25-22(28)18-11-23-7-8-26(14-16-3-4-16)21(24(23,29)12-18)9-17-5-6-19(27)10-20(17)23/h5-6,10,15-16,18,21,27,29H,3-4,7-9,11-14H2,1-2H3,(H,25,28)/t18-,21+,23+,24+/m0/s1
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n/an/an/an/a 2.24n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors delta


(Homo sapiens (human))
BDBM309413
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1
Show InChI InChI=1S/C28H34N2O3/c1-18-2-4-19(5-3-18)16-29-26(32)22-14-27-10-11-30(17-20-6-7-20)25(28(27,33)15-22)12-21-8-9-23(31)13-24(21)27/h2-5,8-9,13,20,22,25,31,33H,6-7,10-12,14-17H2,1H3,(H,29,32)/t22-,25+,27+,28+/m0/s1
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n/an/an/an/a 1.56n/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 me...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309447
PNG
(N-((2R,3aS,4R,9bS)-12-(cyclopropyl- methyl)-3a,8-d...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)NC(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C26H30N2O3/c29-21-9-8-19-12-23-26(31)15-20(27-24(30)18-4-2-1-3-5-18)14-25(26,22(19)13-21)10-11-28(23)16-17-6-7-17/h1-5,8-9,13,17,20,23,29,31H,6-7,10-12,14-16H2,(H,27,30)/t20-,23-,25-,26-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309453
PNG
(((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)N3CCC(CC3)N3CCCC3)c2c1
Show InChI InChI=1S/C29H41N3O3/c33-24-6-5-21-15-26-29(35)18-22(27(34)31-12-7-23(8-13-31)30-10-1-2-11-30)17-28(29,25(21)16-24)9-14-32(26)19-20-3-4-20/h5-6,16,20,22-23,26,33,35H,1-4,7-15,17-19H2/t22-,26-,28-,29-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309331
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(4-guani...)
Show SMILES NC(=N)NCCCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C25H37N5O3/c26-23(27)29-9-2-1-8-28-22(32)18-13-24-7-10-30(15-16-3-4-16)21(25(24,33)14-18)11-17-5-6-19(31)12-20(17)24/h5-6,12,16,18,21,31,33H,1-4,7-11,13-15H2,(H,28,32)(H4,26,27,29)/t18-,21-,24-,25-/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
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309366
PNG
((2R,3aS,4R,9bS)-methyl-12- (cyclopropylmethyl)-3a,...)
Show SMILES COC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C21H27NO4/c1-26-19(24)15-10-20-6-7-22(12-13-2-3-13)18(21(20,25)11-15)8-14-4-5-16(23)9-17(14)20/h4-5,9,13,15,18,23,25H,2-3,6-8,10-12H2,1H3/t15-,18-,20-,21-/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
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309366
PNG
((2R,3aS,4R,9bS)-methyl-12- (cyclopropylmethyl)-3a,...)
Show SMILES COC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C21H27NO4/c1-26-19(24)15-10-20-6-7-22(12-13-2-3-13)18(21(20,25)11-15)8-14-4-5-16(23)9-17(14)20/h4-5,9,13,15,18,23,25H,2-3,6-8,10-12H2,1H3/t15-,18-,20-,21-/m1/s1
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n/an/an/an/a 2.95n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309374
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES OC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H25NO4/c22-15-4-3-13-7-17-20(25)10-14(18(23)24)9-19(20,16(13)8-15)5-6-21(17)11-12-1-2-12/h3-4,8,12,14,17,22,25H,1-2,5-7,9-11H2,(H,23,24)/t14-,17-,19-,20-/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
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309418
PNG
((2R,3aS,4R,9bS)-2-amino-12- (cyclopropylmethyl)-1,...)
Show SMILES N[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C19H26N2O2/c20-14-9-18-5-6-21(11-12-1-2-12)17(19(18,23)10-14)7-13-3-4-15(22)8-16(13)18/h3-4,8,12,14,17,22-23H,1-2,5-7,9-11,20H2/t14-,17-,18-,19-/m1/s1
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n/an/an/an/a 25.7n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309421
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES NC(=O)[C@@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H26N2O3/c21-18(24)14-9-19-5-6-22(11-12-1-2-12)17(20(19,25)10-14)7-13-3-4-15(23)8-16(13)19/h3-4,8,12,14,17,23,25H,1-2,5-7,9-11H2,(H2,21,24)/t14-,17+,19+,20+/m0/s1
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n/an/an/an/a 2.49n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors delta


(Homo sapiens (human))
BDBM309406
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES NC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C20H26N2O3/c21-18(24)14-9-19-5-6-22(11-12-1-2-12)17(20(19,25)10-14)7-13-3-4-15(23)8-16(13)19/h3-4,8,12,14,17,23,25H,1-2,5-7,9-11H2,(H2,21,24)/t14-,17-,19-,20-/m1/s1
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n/an/an/an/a 75.5n/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 me...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309422
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES CC(C)CNC(=O)[C@@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1
Show InChI InChI=1S/C24H34N2O3/c1-15(2)13-25-22(28)18-11-23-7-8-26(14-16-3-4-16)21(24(23,29)12-18)9-17-5-6-19(27)10-20(17)23/h5-6,10,15-16,18,21,27,29H,3-4,7-9,11-14H2,1-2H3,(H,25,28)/t18-,21+,23+,24+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309423
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Cc1ccc(CNC(=O)[C@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1
Show InChI InChI=1S/C28H34N2O3/c1-18-2-4-19(5-3-18)16-29-26(32)22-14-27-10-11-30(17-20-6-7-20)25(28(27,33)15-22)12-21-8-9-23(31)13-24(21)27/h2-5,8-9,13,20,22,25,31,33H,6-7,10-12,14-17H2,1H3,(H,29,32)/t22-,25-,27-,28-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309424
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Oc1ccc(CNC(=O)[C@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)cc1
Show InChI InChI=1S/C27H32N2O4/c30-21-6-3-17(4-7-21)15-28-25(32)20-13-26-9-10-29(16-18-1-2-18)24(27(26,33)14-20)11-19-5-8-22(31)12-23(19)26/h3-8,12,18,20,24,30-31,33H,1-2,9-11,13-16H2,(H,28,32)/t20-,24-,26-,27-/m1/s1
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n/an/an/an/a 37.5n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

More data for this
Ligand-Target Pair
Opioid receptors kappa


(Homo sapiens (human))
BDBM309426
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2,4-dih...)
Show SMILES Oc1ccc(CNC(=O)[C@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@]3(C2)CCN4CC2CC2)c(O)c1
Show InChI InChI=1S/C27H32N2O5/c30-20-5-3-17-9-24-27(34)13-19(25(33)28-14-18-4-6-21(31)11-23(18)32)12-26(27,22(17)10-20)7-8-29(24)15-16-1-2-16/h3-6,10-11,16,19,24,30-32,34H,1-2,7-9,12-15H2,(H,28,33)/t19-,24-,26-,27-/m1/s1
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n/an/an/an/a 1.74n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay 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...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309430
PNG
((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(3,4-dic...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCc3ccc(Cl)c(Cl)c3)c2c1
Show InChI InChI=1S/C27H30Cl2N2O3/c28-22-6-3-17(9-23(22)29)14-30-25(33)19-12-26-7-8-31(15-16-1-2-16)24(27(26,34)13-19)10-18-4-5-20(32)11-21(18)26/h3-6,9,11,16,19,24,32,34H,1-2,7-8,10,12-15H2,(H,30,33)/t19-,24-,26-,27-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309444
PNG
(N-((2S,3aS,4R,9bS)-12-(cyclopropyl- methyl)-3a,8-d...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)NC(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C26H30N2O3/c29-21-9-8-19-12-23-26(31)15-20(27-24(30)18-4-2-1-3-5-18)14-25(26,22(19)13-21)10-11-28(23)16-17-6-7-17/h1-5,8-9,13,17,20,23,29,31H,6-7,10-12,14-16H2,(H,27,30)/t20-,23+,25+,26+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309450
PNG
((2R,3aS,4R,9bS)-12-(cyclopropyl- methyl)-3a,8-dihy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)NCCCN3CCOCC3)c2c1
Show InChI InChI=1S/C27H39N3O4/c31-22-5-4-20-14-24-27(33)17-21(25(32)28-7-1-8-29-10-12-34-13-11-29)16-26(27,23(20)15-22)6-9-30(24)18-19-2-3-19/h4-5,15,19,21,24,31,33H,1-3,6-14,16-18H2,(H,28,32)/t21-,24-,26-,27-/m1/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309451
PNG
(((2R,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@H](C[C@@]34O)C(=O)N3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C30H37N3O3/c34-25-9-8-22-16-27-30(36)19-23(18-29(30,26(22)17-25)10-11-33(27)20-21-6-7-21)28(35)32-14-12-31(13-15-32)24-4-2-1-3-5-24/h1-5,8-9,17,21,23,27,34,36H,6-7,10-16,18-20H2/t23-,27-,29-,30-/m1/s1
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n/an/an/an/a 28.8n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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


(Homo sapiens (human))
BDBM309457
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- 3a,8-dihyd...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3cccnc3)c2c1
Show InChI InChI=1S/C26H31N3O3/c30-21-6-5-19-10-23-26(32)13-20(24(31)28-15-18-2-1-8-27-14-18)12-25(26,22(19)11-21)7-9-29(23)16-17-3-4-17/h1-2,5-6,8,11,14,17,20,23,30,32H,3-4,7,9-10,12-13,15-16H2,(H,28,31)/t20-,23+,25+,26+/m0/s1
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Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: δ-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displace...


US Patent US9656962 (2017)

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