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Patent code US9175000

Compile Data Set for Download or QSAR
Found 27 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))		BDBM190226
PNG
(US9175000, 6)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1[C@](O)(CC(O)CO)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H43NO6/c1-39-25-11-10-22-16-27-31-12-13-34(40-2,26(18-31)33(38,17-24(37)20-36)23-6-4-3-5-7-23)30-32(31,28(22)29(25)41-30)14-15-35(27)19-21-8-9-21/h3-7,10-11,21,24,26-27,30,36-38H,8-9,12-20H2,1-2H3/t24?,26-,27-,30-,31-,32+,33+,34-/m1/s1
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US Patent
 12.9n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells expressing the human κ opioid receptor (cloned in house) were prepared by lysing cells in ice cold hypo...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190231
PNG
(US9175000, 16)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(N[C@@H](C(N)=O)c1ccccc1)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C39H45N3O4/c1-44-29-16-15-27-21-30-37-17-18-39(45-2,36-38(37,31(27)34(29)46-36)19-20-42(30)23-24-13-14-24)28(22-37)32(25-9-5-3-6-10-25)41-33(35(40)43)26-11-7-4-8-12-26/h3-12,15-16,24,28,30,32-33,36,41H,13-14,17-23H2,1-2H3,(H2,40,43)/t28-,30-,32?,33-,36-,37-,38+,39-/m1/s1
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 21.8n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells expressing the human κ opioid receptor (cloned in house) were prepared by lysing cells in ice cold hypo...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190229
PNG
(US9175000, 14)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(N)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H43N3O4/c1-20(30(35)38)36-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-37(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,36H,9-10,13-19H2,1-3H3,(H2,35,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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 40.1n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells expressing the human κ opioid receptor (cloned in house) were prepared by lysing cells in ice cold hypo...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190226
PNG
(US9175000, 6)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1[C@](O)(CC(O)CO)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H43NO6/c1-39-25-11-10-22-16-27-31-12-13-34(40-2,26(18-31)33(38,17-24(37)20-36)23-6-4-3-5-7-23)30-32(31,28(22)29(25)41-30)14-15-35(27)19-21-8-9-21/h3-7,10-11,21,24,26-27,30,36-38H,8-9,12-20H2,1-2H3/t24?,26-,27-,30-,31-,32+,33+,34-/m1/s1
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 49.9 -45.2n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


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

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190230
PNG
(US9175000, 15)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C(O)=O)c1ccccc1)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C39H44N2O5/c1-44-29-16-15-27-21-30-37-17-18-39(45-2,36-38(37,31(27)34(29)46-36)19-20-41(30)23-24-13-14-24)28(22-37)32(25-9-5-3-6-10-25)40-33(35(42)43)26-11-7-4-8-12-26/h3-12,15-16,24,28,30,32-33,36,40H,13-14,17-23H2,1-2H3,(H,42,43)/t28-,30-,32?,33?,36-,37-,38+,39-/m1/s1
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 51.3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells expressing the human κ opioid receptor (cloned in house) were prepared by lysing cells in ice cold hypo...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190227
PNG
(US9175000, 12)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NCC(O)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H40N2O5/c1-38-24-11-10-22-16-25-31-12-13-33(39-2,23(17-31)28(34-18-26(36)37)21-6-4-3-5-7-21)30-32(31,27(22)29(24)40-30)14-15-35(25)19-20-8-9-20/h3-7,10-11,20,23,25,28,30,34H,8-9,12-19H2,1-2H3,(H,36,37)/t23-,25-,28?,30-,31-,32+,33-/m1/s1
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 52.2n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells expressing the human κ opioid receptor (cloned in house) were prepared by lysing cells in ice cold hypo...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190229
PNG
(US9175000, 14)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(N)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H43N3O4/c1-20(30(35)38)36-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-37(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,36H,9-10,13-19H2,1-3H3,(H2,35,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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US Patent
 77.0 -44.0n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


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

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190231
PNG
(US9175000, 16)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(N[C@@H](C(N)=O)c1ccccc1)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C39H45N3O4/c1-44-29-16-15-27-21-30-37-17-18-39(45-2,36-38(37,31(27)34(29)46-36)19-20-42(30)23-24-13-14-24)28(22-37)32(25-9-5-3-6-10-25)41-33(35(40)43)26-11-7-4-8-12-26/h3-12,15-16,24,28,30,32-33,36,41H,13-14,17-23H2,1-2H3,(H2,40,43)/t28-,30-,32?,33-,36-,37-,38+,39-/m1/s1
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 123 -42.8n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


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

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190228
PNG
(US9175000, 13)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(O)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H42N2O5/c1-20(30(37)38)35-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-36(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,35H,9-10,13-19H2,1-3H3,(H,37,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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 138n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells expressing the human κ opioid receptor (cloned in house) were prepared by lysing cells in ice cold hypo...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190230
PNG
(US9175000, 15)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C(O)=O)c1ccccc1)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C39H44N2O5/c1-44-29-16-15-27-21-30-37-17-18-39(45-2,36-38(37,31(27)34(29)46-36)19-20-41(30)23-24-13-14-24)28(22-37)32(25-9-5-3-6-10-25)40-33(35(42)43)26-11-7-4-8-12-26/h3-12,15-16,24,28,30,32-33,36,40H,13-14,17-23H2,1-2H3,(H,42,43)/t28-,30-,32?,33?,36-,37-,38+,39-/m1/s1
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 278 -40.6n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


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

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190228
PNG
(US9175000, 13)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(O)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H42N2O5/c1-20(30(37)38)35-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-36(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,35H,9-10,13-19H2,1-3H3,(H,37,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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n/an/an/an/a 399n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant U-2 OS cells expressing the recombinant human kappa opioid receptor (kappa) were prepared by lysing cells in ice cold hy...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190226
PNG
(US9175000, 6)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1[C@](O)(CC(O)CO)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H43NO6/c1-39-25-11-10-22-16-27-31-12-13-34(40-2,26(18-31)33(38,17-24(37)20-36)23-6-4-3-5-7-23)30-32(31,28(22)29(25)41-30)14-15-35(27)19-21-8-9-21/h3-7,10-11,21,24,26-27,30,36-38H,8-9,12-20H2,1-2H3/t24?,26-,27-,30-,31-,32+,33+,34-/m1/s1
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n/an/an/an/a 196n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinan...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190228
PNG
(US9175000, 13)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(O)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H42N2O5/c1-20(30(37)38)35-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-36(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,35H,9-10,13-19H2,1-3H3,(H,37,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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US Patent
n/an/an/an/a 173n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinan...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190228
PNG
(US9175000, 13)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(O)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H42N2O5/c1-20(30(37)38)35-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-36(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,35H,9-10,13-19H2,1-3H3,(H,37,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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US Patent
n/an/an/an/a 1.64E+3n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells, CHO cells expressing the recombinant human kappa opioid receptor (kappa) were prepared by lysing cells in...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190230
PNG
(US9175000, 15)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C(O)=O)c1ccccc1)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C39H44N2O5/c1-44-29-16-15-27-21-30-37-17-18-39(45-2,36-38(37,31(27)34(29)46-36)19-20-41(30)23-24-13-14-24)28(22-37)32(25-9-5-3-6-10-25)40-33(35(42)43)26-11-7-4-8-12-26/h3-12,15-16,24,28,30,32-33,36,40H,13-14,17-23H2,1-2H3,(H,42,43)/t28-,30-,32?,33?,36-,37-,38+,39-/m1/s1
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US Patent
n/an/an/an/a 656n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinan...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM60813
PNG
(US9175000, 17)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(N[C@H](C(N)=O)c1ccccc1)c1ccccc1)OC |r,THB:9:8:23:19.5.6|
Show InChI InChI=1S/C39H45N3O4/c1-44-29-16-15-27-21-30-37-17-18-39(45-2,36-38(37,31(27)34(29)46-36)19-20-42(30)23-24-13-14-24)28(22-37)32(25-9-5-3-6-10-25)41-33(35(40)43)26-11-7-4-8-12-26/h3-12,15-16,24,28,30,32-33,36,41H,13-14,17-23H2,1-2H3,(H2,40,43)/t28-,30-,32?,33+,36-,37-,38+,39-/m1/s1
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n/an/an/an/a 4.98E+3n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinan...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190231
PNG
(US9175000, 16)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(N[C@@H](C(N)=O)c1ccccc1)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C39H45N3O4/c1-44-29-16-15-27-21-30-37-17-18-39(45-2,36-38(37,31(27)34(29)46-36)19-20-42(30)23-24-13-14-24)28(22-37)32(25-9-5-3-6-10-25)41-33(35(40)43)26-11-7-4-8-12-26/h3-12,15-16,24,28,30,32-33,36,41H,13-14,17-23H2,1-2H3,(H2,40,43)/t28-,30-,32?,33-,36-,37-,38+,39-/m1/s1
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n/an/an/an/a 771n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells, CHO cells expressing the recombinant human kappa opioid receptor (kappa) were prepared by lysing cells in...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190226
PNG
(US9175000, 6)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1[C@](O)(CC(O)CO)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H43NO6/c1-39-25-11-10-22-16-27-31-12-13-34(40-2,26(18-31)33(38,17-24(37)20-36)23-6-4-3-5-7-23)30-32(31,28(22)29(25)41-30)14-15-35(27)19-21-8-9-21/h3-7,10-11,21,24,26-27,30,36-38H,8-9,12-20H2,1-2H3/t24?,26-,27-,30-,31-,32+,33+,34-/m1/s1
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n/an/an/an/a 122n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells, CHO cells expressing the recombinant human kappa opioid receptor (kappa) were prepared by lysing cells in...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190229
PNG
(US9175000, 14)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(N)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H43N3O4/c1-20(30(35)38)36-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-37(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,36H,9-10,13-19H2,1-3H3,(H2,35,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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n/an/an/an/a 457n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinan...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190230
PNG
(US9175000, 15)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C(O)=O)c1ccccc1)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C39H44N2O5/c1-44-29-16-15-27-21-30-37-17-18-39(45-2,36-38(37,31(27)34(29)46-36)19-20-41(30)23-24-13-14-24)28(22-37)32(25-9-5-3-6-10-25)40-33(35(42)43)26-11-7-4-8-12-26/h3-12,15-16,24,28,30,32-33,36,40H,13-14,17-23H2,1-2H3,(H,42,43)/t28-,30-,32?,33?,36-,37-,38+,39-/m1/s1
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n/an/an/an/a 1.77E+3n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells, CHO cells expressing the recombinant human kappa opioid receptor (kappa) were prepared by lysing cells in...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190229
PNG
(US9175000, 14)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(N)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H43N3O4/c1-20(30(35)38)36-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-37(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,36H,9-10,13-19H2,1-3H3,(H2,35,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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n/an/an/an/a 289n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells, CHO cells expressing the recombinant human kappa opioid receptor (kappa) were prepared by lysing cells in...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190228
PNG
(US9175000, 13)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(O)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H42N2O5/c1-20(30(37)38)35-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-36(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,35H,9-10,13-19H2,1-3H3,(H,37,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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n/an/an/an/a 379n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinan...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190229
PNG
(US9175000, 14)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(N)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H43N3O4/c1-20(30(35)38)36-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-37(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,36H,9-10,13-19H2,1-3H3,(H2,35,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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n/an/an/an/a 68.3n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant U-2 OS cells expressing the recombinant human kappa opioid receptor (kappa) were prepared by lysing cells in ice cold hy...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM190227
PNG
(US9175000, 12)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NCC(O)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H40N2O5/c1-38-24-11-10-22-16-25-31-12-13-33(39-2,23(17-31)28(34-18-26(36)37)21-6-4-3-5-7-21)30-32(31,27(22)29(24)40-30)14-15-35(25)19-20-8-9-20/h3-7,10-11,20,23,25,28,30,34H,8-9,12-19H2,1-2H3,(H,36,37)/t23-,25-,28?,30-,31-,32+,33-/m1/s1
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n/an/an/an/a 745n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinant HEK-293 cells, CHO cells expressing the recombinant human kappa opioid receptor (kappa) were prepared by lysing cells in...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190231
PNG
(US9175000, 16)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(N[C@@H](C(N)=O)c1ccccc1)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C39H45N3O4/c1-44-29-16-15-27-21-30-37-17-18-39(45-2,36-38(37,31(27)34(29)46-36)19-20-42(30)23-24-13-14-24)28(22-37)32(25-9-5-3-6-10-25)41-33(35(40)43)26-11-7-4-8-12-26/h3-12,15-16,24,28,30,32-33,36,41H,13-14,17-23H2,1-2H3,(H2,40,43)/t28-,30-,32?,33-,36-,37-,38+,39-/m1/s1
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n/an/an/an/a 1.50E+4n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinan...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190229
PNG
(US9175000, 14)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(N)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H43N3O4/c1-20(30(35)38)36-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-37(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,36H,9-10,13-19H2,1-3H3,(H2,35,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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n/an/an/an/a 53n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinan...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM190227
PNG
(US9175000, 12)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NCC(O)=O)c1ccccc1)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H40N2O5/c1-38-24-11-10-22-16-25-31-12-13-33(39-2,23(17-31)28(34-18-26(36)37)21-6-4-3-5-7-21)30-32(31,27(22)29(24)40-30)14-15-35(25)19-20-8-9-20/h3-7,10-11,20,23,25,28,30,34H,8-9,12-19H2,1-2H3,(H,36,37)/t23-,25-,28?,30-,31-,32+,33-/m1/s1
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n/an/an/an/a 174n/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinan...

US Patent US9175000 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CWK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%