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Patent code US8987287

Compile Data Set for Download or QSAR
Found 25 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
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151177
PNG
(BDBM151178 | US8987287, 7)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@]5(C[C@]4(CCN3CC3CC3)c2c1)NC(=O)NC5=O |r|
Show InChI InChI=1S/C22H27N3O3/c26-15-4-3-14-9-18-16-5-6-22(19(27)23-20(28)24-22)12-21(16,17(14)10-15)7-8-25(18)11-13-1-2-13/h3-4,10,13,16,18,26H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t16-,18+,21-,22-/m0/s1
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US Patent
 0.200 -55.4n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151177
PNG
(BDBM151178 | US8987287, 7)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@]5(C[C@]4(CCN3CC3CC3)c2c1)NC(=O)NC5=O |r|
Show InChI InChI=1S/C22H27N3O3/c26-15-4-3-14-9-18-16-5-6-22(19(27)23-20(28)24-22)12-21(16,17(14)10-15)7-8-25(18)11-13-1-2-13/h3-4,10,13,16,18,26H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t16-,18+,21-,22-/m0/s1
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US Patent
 0.230 -55.0n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151184
PNG
(US8987287, 63)
Show SMILES CN1C(=O)NC(=O)[C@@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 |r|
Show InChI InChI=1S/C23H29N3O4/c1-25-20(29)24-19(28)22(25)6-7-23(30)18-10-15-4-5-16(27)11-17(15)21(23,13-22)8-9-26(18)12-14-2-3-14/h4-5,11,14,18,27,30H,2-3,6-10,12-13H2,1H3,(H,24,28,29)/t18-,21-,22+,23-/m1/s1
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 0.300 -54.4n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151183
PNG
(US8987287, 49)
Show SMILES CCN1C(=O)NC(=O)[C@@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 |r|
Show InChI InChI=1S/C24H31N3O4/c1-2-27-21(30)25-20(29)23(27)7-8-24(31)19-11-16-5-6-17(28)12-18(16)22(24,14-23)9-10-26(19)13-15-3-4-15/h5-6,12,15,19,28,31H,2-4,7-11,13-14H2,1H3,(H,25,29,30)/t19-,22-,23+,24-/m1/s1
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US Patent
 0.470 -53.2n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151173
PNG
(US8987287, 3)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C22H27N3O4/c26-15-4-3-14-9-17-22(29)6-5-21(18(27)23-19(28)24-21)12-20(22,16(14)10-15)7-8-25(17)11-13-1-2-13/h3-4,10,13,17,26,29H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t17-,20-,21+,22-/m1/s1
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 0.600 -52.6n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM151184
PNG
(US8987287, 63)
Show SMILES CN1C(=O)NC(=O)[C@@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 |r|
Show InChI InChI=1S/C23H29N3O4/c1-25-20(29)24-19(28)22(25)6-7-23(30)18-10-15-4-5-16(27)11-17(15)21(23,13-22)8-9-26(18)12-14-2-3-14/h4-5,11,14,18,27,30H,2-3,6-10,12-13H2,1H3,(H,24,28,29)/t18-,21-,22+,23-/m1/s1
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US Patent
 0.860 -56.1n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151175
PNG
(US8987287, 5)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)N5)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C22H29N3O3/c26-16-4-3-15-9-18-22(28)6-5-20(13-23-19(27)24-20)12-21(22,17(15)10-16)7-8-25(18)11-14-1-2-14/h3-4,10,14,18,26,28H,1-2,5-9,11-13H2,(H2,23,24,27)/t18-,20+,21-,22-/m1/s1
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 0.940 -51.5n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM151183
PNG
(US8987287, 49)
Show SMILES CCN1C(=O)NC(=O)[C@@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 |r|
Show InChI InChI=1S/C24H31N3O4/c1-2-27-21(30)25-20(29)23(27)7-8-24(31)19-11-16-5-6-17(28)12-18(16)22(24,14-23)9-10-26(19)13-15-3-4-15/h5-6,12,15,19,28,31H,2-4,7-11,13-14H2,1H3,(H,25,29,30)/t19-,22-,23+,24-/m1/s1
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US Patent
 2.28 -53.5n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM151175
PNG
(US8987287, 5)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)N5)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C22H29N3O3/c26-16-4-3-15-9-18-22(28)6-5-20(13-23-19(27)24-20)12-21(22,17(15)10-16)7-8-25(18)11-14-1-2-14/h3-4,10,14,18,26,28H,1-2,5-9,11-13H2,(H2,23,24,27)/t18-,20+,21-,22-/m1/s1
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US Patent
 3.55 -52.3n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM151177
PNG
(BDBM151178 | US8987287, 7)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@]5(C[C@]4(CCN3CC3CC3)c2c1)NC(=O)NC5=O |r|
Show InChI InChI=1S/C22H27N3O3/c26-15-4-3-14-9-18-16-5-6-22(19(27)23-20(28)24-22)12-21(16,17(14)10-15)7-8-25(18)11-13-1-2-13/h3-4,10,13,16,18,26H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t16-,18+,21-,22-/m0/s1
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 8.39 -50.0n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151176
PNG
(US8987287, 6)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4CC[C@@]5(C[C@]4(CCN3CC3CC3)c2c1)NC(=O)NC5=O |r|
Show InChI InChI=1S/C23H29N3O3/c1-29-16-5-4-15-10-19-17-6-7-23(20(27)24-21(28)25-23)13-22(17,18(15)11-16)8-9-26(19)12-14-2-3-14/h4-5,11,14,17,19H,2-3,6-10,12-13H2,1H3,(H2,24,25,27,28)/t17-,19+,22-,23-/m0/s1
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 12.3 -45.2n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM151173
PNG
(US8987287, 3)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C22H27N3O4/c26-15-4-3-14-9-17-22(29)6-5-21(18(27)23-19(28)24-21)12-20(22,16(14)10-15)7-8-25(17)11-13-1-2-13/h3-4,10,13,17,26,29H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t17-,20-,21+,22-/m1/s1
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 15.9 -48.2n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM151180
PNG
(US8987287, 10)
Show SMILES CN1CC[C@]23C[C@]4(CC[C@@]2(O)[C@H]1Cc1ccc(O)cc31)NC(=O)NC4=O |r|
Show InChI InChI=1S/C19H23N3O4/c1-22-7-6-17-10-18(15(24)20-16(25)21-18)4-5-19(17,26)14(22)8-11-2-3-12(23)9-13(11)17/h2-3,9,14,23,26H,4-8,10H2,1H3,(H2,20,21,24,25)/t14-,17-,18+,19-/m1/s1
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 27.0 -46.8n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151172
PNG
(US8987287, 2)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C23H29N3O4/c1-30-16-5-4-15-10-18-23(29)7-6-22(19(27)24-20(28)25-22)13-21(23,17(15)11-16)8-9-26(18)12-14-2-3-14/h4-5,11,14,18,29H,2-3,6-10,12-13H2,1H3,(H2,24,25,27,28)/t18-,21-,22+,23-/m1/s1
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 130 -39.3n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151174
PNG
(US8987287, 4)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)N5)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C23H31N3O3/c1-29-17-5-4-16-10-19-23(28)7-6-21(14-24-20(27)25-21)13-22(23,18(16)11-17)8-9-26(19)12-15-2-3-15/h4-5,11,15,19,28H,2-3,6-10,12-14H2,1H3,(H2,24,25,27)/t19-,21+,22-,23-/m1/s1
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US Patent
 135 -39.2n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151180
PNG
(US8987287, 10)
Show SMILES CN1CC[C@]23C[C@]4(CC[C@@]2(O)[C@H]1Cc1ccc(O)cc31)NC(=O)NC4=O |r|
Show InChI InChI=1S/C19H23N3O4/c1-22-7-6-17-10-18(15(24)20-16(25)21-18)4-5-19(17,26)14(22)8-11-2-3-12(23)9-13(11)17/h2-3,9,14,23,26H,4-8,10H2,1H3,(H2,20,21,24,25)/t14-,17-,18+,19-/m1/s1
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 155 -38.9n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM151173
PNG
(US8987287, 3)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C22H27N3O4/c26-15-4-3-14-9-17-22(29)6-5-21(18(27)23-19(28)24-21)12-20(22,16(14)10-15)7-8-25(17)11-13-1-2-13/h3-4,10,13,17,26,29H,1-2,5-9,11-12H2,(H2,23,24,27,28)/t17-,20-,21+,22-/m1/s1
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 177 -38.5n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Delta-Opioid Receptor Binding Assay Procedures: delta-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displaceme...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM151175
PNG
(US8987287, 5)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)N5)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C22H29N3O3/c26-16-4-3-15-9-18-22(28)6-5-20(13-23-19(27)24-20)12-21(22,17(15)10-16)7-8-25(18)11-14-1-2-14/h3-4,10,14,18,26,28H,1-2,5-9,11-13H2,(H2,23,24,27)/t18-,20+,21-,22-/m1/s1
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 272 -37.5n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Delta-Opioid Receptor Binding Assay Procedures: delta-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displaceme...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM151179
PNG
(US8987287, 9)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C20H25N3O4/c1-23-8-7-18-11-19(16(24)21-17(25)22-19)5-6-20(18,26)15(23)9-12-3-4-13(27-2)10-14(12)18/h3-4,10,15,26H,5-9,11H2,1-2H3,(H2,21,22,24,25)/t15-,18-,19+,20-/m1/s1
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 3.88E+3 -33.5n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM151172
PNG
(US8987287, 2)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C23H29N3O4/c1-30-16-5-4-15-10-18-23(29)7-6-22(19(27)24-20(28)25-22)13-21(23,17(15)11-16)8-9-26(18)12-14-2-3-14/h4-5,11,14,18,29H,2-3,6-10,12-13H2,1H3,(H2,24,25,27,28)/t18-,21-,22+,23-/m1/s1
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 9.05E+3 -31.2n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM151182
PNG
(US8987287, 12)
Show SMILES COc1ccc2C[C@H]3NCC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C19H23N3O4/c1-26-12-3-2-11-8-14-19(25)5-4-18(15(23)21-16(24)22-18)10-17(19,6-7-20-14)13(11)9-12/h2-3,9,14,20,25H,4-8,10H2,1H3,(H2,21,22,23,24)/t14-,17-,18+,19-/m1/s1
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 1.49E+4 -29.9n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151182
PNG
(US8987287, 12)
Show SMILES COc1ccc2C[C@H]3NCC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C19H23N3O4/c1-26-12-3-2-11-8-14-19(25)5-4-18(15(23)21-16(24)22-18)10-17(19,6-7-20-14)13(11)9-12/h2-3,9,14,20,25H,4-8,10H2,1H3,(H2,21,22,23,24)/t14-,17-,18+,19-/m1/s1
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>2.00E+4>-26.8n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151181
PNG
(US8987287, 11)
Show SMILES COc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C26H29N3O4/c1-33-19-8-7-18-13-21-26(32)10-9-25(22(30)27-23(31)28-25)16-24(26,20(18)14-19)11-12-29(21)15-17-5-3-2-4-6-17/h2-8,14,21,32H,9-13,15-16H2,1H3,(H2,27,28,30,31)/t21-,24-,25+,26-/m1/s1
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>2.00E+4>-26.8n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM151179
PNG
(US8987287, 9)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C20H25N3O4/c1-23-8-7-18-11-19(16(24)21-17(25)22-19)5-6-20(18,26)15(23)9-12-3-4-13(27-2)10-14(12)18/h3-4,10,15,26H,5-9,11H2,1-2H3,(H2,21,22,24,25)/t15-,18-,19+,20-/m1/s1
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>2.00E+4>-26.8n/an/an/an/an/a7.425



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 ug membrane protein (recombinant...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM151181
PNG
(US8987287, 11)
Show SMILES COc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(C[C@]5(CC[C@@]34O)NC(=O)NC5=O)c2c1 |r|
Show InChI InChI=1S/C26H29N3O4/c1-33-19-8-7-18-13-21-26(32)10-9-25(22(30)27-23(31)28-25)16-24(26,20(18)14-19)11-12-29(21)15-17-5-3-2-4-6-17/h2-8,14,21,32H,9-13,15-16H2,1H3,(H2,27,28,30,31)/t21-,24-,25+,26-/m1/s1
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>2.00E+4>-29.1n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Per...

US Patent US8987287 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PFT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%