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Patent code US8530494

Compile Data Set for Download or QSAR
Found 94 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))
BDBM3916
PNG
(US8530494, 206)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H33Cl2NO4/c1-32-11-10-28-24-18-5-7-22(33-2)25(24)36-26(28)29(34-3)9-8-27(28,23(32)13-18)14-19(29)16-35-15-17-4-6-20(30)21(31)12-17/h4-7,12,19,23,26H,8-11,13-16H2,1-3H3/t19-,23-,26-,27-,28+,29-/m1/s1
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US Patent
0.0400n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4009
PNG
(US8530494, 207)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H37NO4/c1-19-6-5-7-20(14-19)17-34-18-22-16-28-10-11-30(22,33-4)27-29(28)12-13-31(2)24(28)15-21-8-9-23(32-3)26(35-27)25(21)29/h5-9,14,22,24,27H,10-13,15-18H2,1-4H3/t22-,24-,27-,28-,29+,30-/m1/s1
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US Patent
0.0500n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM3992
PNG
(US8530494, 201)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H41NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h9-10,19,21,23,26H,4-8,11-18H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4049
PNG
(US8530494, 111)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H41NO4/c1-21-6-4-5-7-24(21)19-37-20-25-17-31-12-13-33(25,36-3)30-32(31)14-15-34(18-22-8-9-22)27(31)16-23-10-11-26(35-2)29(38-30)28(23)32/h4-7,10-11,22,25,27,30H,8-9,12-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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US Patent
0.0700n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4062
PNG
(US8530494, 213)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc2ccccc12)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C33H37NO4/c1-34-16-15-32-28-22-11-12-26(35-2)29(28)38-30(32)33(36-3)14-13-31(32,27(34)17-22)18-24(33)20-37-19-23-9-6-8-21-7-4-5-10-25(21)23/h4-12,24,27,30H,13-20H2,1-3H3/t24-,27-,30-,31-,32+,33-/m1/s1
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US Patent
0.0800n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4200
PNG
(US8530494, 210)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H37NO4/c1-19-7-5-6-8-21(19)17-34-18-22-16-28-11-12-30(22,33-4)27-29(28)13-14-31(2)24(28)15-20-9-10-23(32-3)26(35-27)25(20)29/h5-10,22,24,27H,11-18H2,1-4H3/t22-,24-,27-,28-,29+,30-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4205
PNG
(US8530494, 203)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)cc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H34ClNO4/c1-31-13-12-28-24-19-6-9-22(32-2)25(24)35-26(28)29(33-3)11-10-27(28,23(31)14-19)15-20(29)17-34-16-18-4-7-21(30)8-5-18/h4-9,20,23,26H,10-17H2,1-3H3/t20-,23-,26-,27-,28+,29-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4203
PNG
(US8530494, 6 | US9221831, 10)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H39NO4/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-36-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)37-29)14-15-33(26)18-21-8-9-21/h3-7,10-11,21,24,26,29H,8-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4211
PNG
(US8530494, 101)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H45NO4/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-36-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)37-29)14-15-33(26)18-21-8-9-21/h10-11,21-22,24,26,29H,3-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4249
PNG
(US8530494, 50)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCC1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C27H37NO4/c1-28-12-11-26-22-18-7-8-20(29-2)23(22)32-24(26)27(30-3)10-9-25(26,21(28)13-18)14-19(27)16-31-15-17-5-4-6-17/h7-8,17,19,21,24H,4-6,9-16H2,1-3H3/t19-,21-,24-,25-,26+,27-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4207
PNG
(US8530494, 103)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C31H37NO4/c1-33-24-11-10-21-16-25-29-12-13-31(34-2,22(17-29)19-35-23-6-4-3-5-7-23)28-30(29,26(21)27(24)36-28)14-15-32(25)18-20-8-9-20/h3-7,10-11,20,22,25,28H,8-9,12-19H2,1-2H3/t22-,25-,28-,29-,30+,31-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4209
PNG
(US8530494, 107)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H41NO4/c1-21-5-4-6-23(15-21)19-37-20-25-17-31-11-12-33(25,36-3)30-32(31)13-14-34(18-22-7-8-22)27(31)16-24-9-10-26(35-2)29(38-30)28(24)32/h4-6,9-10,15,22,25,27,30H,7-8,11-14,16-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4267
PNG
(US8530494, 11)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCc1ccccc1)OC |r|
Show InChI InChI=1S/C29H35NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h4-10,21,23,26H,11-18H2,1-3H3/t21?,23-,26?,27?,28+,29?/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4362
PNG
(US8530494, 215)
Show SMILES COc1cccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(C)CC[C@@]426)ccc5OC)c1 |r,THB:9:10:29.18:13.14|
Show InChI InChI=1S/C30H37NO5/c1-31-13-12-29-25-20-8-9-23(33-3)26(25)36-27(29)30(34-4)11-10-28(29,24(31)15-20)16-21(30)18-35-17-19-6-5-7-22(14-19)32-2/h5-9,14,21,24,27H,10-13,15-18H2,1-4H3/t21-,24-,27-,28-,29+,30-/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4387
PNG
(US8530494, 105)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H37Cl2NO4/c1-36-25-8-6-21-14-26-30-9-10-32(37-2,22(15-30)18-38-17-20-5-7-23(33)24(34)13-20)29-31(30,27(21)28(25)39-29)11-12-35(26)16-19-3-4-19/h5-8,13,19,22,26,29H,3-4,9-12,14-18H2,1-2H3/t22-,26-,29-,30-,31+,32-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4390
PNG
(US8530494, 204)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H34F3NO4/c1-34-13-12-28-24-19-6-9-22(35-2)25(24)38-26(28)29(36-3)11-10-27(28,23(34)14-19)15-21(29)17-37-16-18-4-7-20(8-5-18)30(31,32)33/h4-9,21,23,26H,10-17H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4392
PNG
(US8530494, 106)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H38F3NO4/c1-38-25-10-7-22-15-26-30-11-12-32(39-2,24(16-30)19-40-18-21-5-8-23(9-6-21)33(34,35)36)29-31(30,27(22)28(25)41-29)13-14-37(26)17-20-3-4-20/h5-10,20,24,26,29H,3-4,11-19H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4513
PNG
(US8530494, 8)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC=C)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C28H37NO4/c1-4-13-32-17-20-15-26-9-10-28(20,31-3)25-27(26)11-12-29(16-18-5-6-18)22(26)14-19-7-8-21(30-2)24(33-25)23(19)27/h4,7-8,18,20,22,25H,1,5-6,9-17H2,2-3H3/t20-,22-,25-,26-,27+,28-/m1/s1
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US Patent
0.430n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4523
PNG
(US8530494, 110)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COC\C=C\c1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H41NO4/c1-36-27-13-12-25-19-28-32-14-15-34(37-2,26(20-32)22-38-18-6-9-23-7-4-3-5-8-23)31-33(32,29(25)30(27)39-31)16-17-35(28)21-24-10-11-24/h3-9,12-13,24,26,28,31H,10-11,14-22H2,1-2H3/b9-6+/t26-,28-,31-,32-,33+,34-/m1/s1
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US Patent
0.530n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4062
PNG
(US8530494, 213)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc2ccccc12)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C33H37NO4/c1-34-16-15-32-28-22-11-12-26(35-2)29(28)38-30(32)33(36-3)14-13-31(32,27(34)17-22)18-24(33)20-37-19-23-9-6-8-21-7-4-5-10-25(21)23/h4-12,24,27,30H,13-20H2,1-3H3/t24-,27-,30-,31-,32+,33-/m1/s1
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US Patent
0.590n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM3992
PNG
(US8530494, 201)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H41NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h9-10,19,21,23,26H,4-8,11-18H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1
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US Patent
0.690n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4533
PNG
(US8530494, 108)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C36H41NO4/c1-38-29-12-11-27-18-30-34-13-14-36(39-2,28(19-34)22-40-21-24-9-10-25-5-3-4-6-26(25)17-24)33-35(34,31(27)32(29)41-33)15-16-37(30)20-23-7-8-23/h3-6,9-12,17,23,28,30,33H,7-8,13-16,18-22H2,1-2H3/t28-,30-,33-,34-,35+,36-/m1/s1
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US Patent
0.740n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4387
PNG
(US8530494, 105)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H37Cl2NO4/c1-36-25-8-6-21-14-26-30-9-10-32(37-2,22(15-30)18-38-17-20-5-7-23(33)24(34)13-20)29-31(30,27(21)28(25)39-29)11-12-35(26)16-19-3-4-19/h5-8,13,19,22,26,29H,3-4,9-12,14-18H2,1-2H3/t22-,26-,29-,30-,31+,32-/m1/s1
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US Patent
1n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4267
PNG
(US8530494, 11)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCc1ccccc1)OC |r|
Show InChI InChI=1S/C29H35NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h4-10,21,23,26H,11-18H2,1-3H3/t21?,23-,26?,27?,28+,29?/m1/s1
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US Patent
1.12n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4209
PNG
(US8530494, 107)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H41NO4/c1-21-5-4-6-23(15-21)19-37-20-25-17-31-11-12-33(25,36-3)30-32(31)13-14-34(18-22-7-8-22)27(31)16-24-9-10-26(35-2)29(38-30)28(24)32/h4-6,9-10,15,22,25,27,30H,7-8,11-14,16-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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US Patent
1.20n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM3916
PNG
(US8530494, 206)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H33Cl2NO4/c1-32-11-10-28-24-18-5-7-22(33-2)25(24)36-26(28)29(34-3)9-8-27(28,23(32)13-18)14-19(29)16-35-15-17-4-6-20(30)21(31)12-17/h4-7,12,19,23,26H,8-11,13-16H2,1-3H3/t19-,23-,26-,27-,28+,29-/m1/s1
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US Patent
1.22n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4538
PNG
(US8530494, 7)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@@H]1COCC#N)OC |r,THB:9:8:6.5.19:23|
Show InChI InChI=1S/C27H34N2O4/c1-30-20-6-5-18-13-21-25-7-8-27(31-2,19(14-25)16-32-12-10-28)24-26(25,22(18)23(20)33-24)9-11-29(21)15-17-3-4-17/h5-6,17,19,21,24H,3-4,7-9,11-16H2,1-2H3/t19-,21-,24-,25-,26+,27?/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4205
PNG
(US8530494, 203)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)cc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H34ClNO4/c1-31-13-12-28-24-19-6-9-22(32-2)25(24)35-26(28)29(33-3)11-10-27(28,23(31)14-19)15-20(29)17-34-16-18-4-7-21(30)8-5-18/h4-9,20,23,26H,10-17H2,1-3H3/t20-,23-,26-,27-,28+,29-/m1/s1
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US Patent
1.47n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4049
PNG
(US8530494, 111)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H41NO4/c1-21-6-4-5-7-24(21)19-37-20-25-17-31-12-13-33(25,36-3)30-32(31)14-15-34(18-22-8-9-22)27(31)16-23-10-11-26(35-2)29(38-30)28(23)32/h4-7,10-11,22,25,27,30H,8-9,12-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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US Patent
1.55n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4211
PNG
(US8530494, 101)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H45NO4/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-36-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)37-29)14-15-33(26)18-21-8-9-21/h10-11,21-22,24,26,29H,3-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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US Patent
1.60n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4200
PNG
(US8530494, 210)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H37NO4/c1-19-7-5-6-8-21(19)17-34-18-22-16-28-11-12-30(22,33-4)27-29(28)13-14-31(2)24(28)15-20-9-10-23(32-3)26(35-27)25(20)29/h5-10,22,24,27H,11-18H2,1-4H3/t22-,24-,27-,28-,29+,30-/m1/s1
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1.76n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4533
PNG
(US8530494, 108)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C36H41NO4/c1-38-29-12-11-27-18-30-34-13-14-36(39-2,28(19-34)22-40-21-24-9-10-25-5-3-4-6-26(25)17-24)33-35(34,31(27)32(29)41-33)15-16-37(30)20-23-7-8-23/h3-6,9-12,17,23,28,30,33H,7-8,13-16,18-22H2,1-2H3/t28-,30-,33-,34-,35+,36-/m1/s1
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1.87n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4654
PNG
(US8530494, 104)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)-c1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C38H43NO4/c1-40-31-15-14-29-20-32-36-16-17-38(41-2,35-37(36,33(29)34(31)43-35)18-19-39(32)22-25-8-9-25)30(21-36)24-42-23-26-10-12-28(13-11-26)27-6-4-3-5-7-27/h3-7,10-15,25,30,32,35H,8-9,16-24H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1
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1.91n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4203
PNG
(US8530494, 6 | US9221831, 10)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H39NO4/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-36-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)37-29)14-15-33(26)18-21-8-9-21/h3-7,10-11,21,24,26,29H,8-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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2n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4392
PNG
(US8530494, 106)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H38F3NO4/c1-38-25-10-7-22-15-26-30-11-12-32(39-2,24(16-30)19-40-18-21-5-8-23(9-6-21)33(34,35)36)29-31(30,27(22)28(25)41-29)13-14-37(26)17-20-3-4-20/h5-10,20,24,26,29H,3-4,11-19H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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US Patent
2.20n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4656
PNG
(US8530494, 211)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccncc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C28H34N2O4/c1-30-13-10-27-23-19-4-5-21(31-2)24(23)34-25(27)28(32-3)9-8-26(27,22(30)14-19)15-20(28)17-33-16-18-6-11-29-12-7-18/h4-7,11-12,20,22,25H,8-10,13-17H2,1-3H3/t20-,22-,25-,26-,27+,28-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4009
PNG
(US8530494, 207)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H37NO4/c1-19-6-5-7-20(14-19)17-34-18-22-16-28-10-11-30(22,33-4)27-29(28)12-13-31(2)24(28)15-21-8-9-23(32-3)26(35-27)25(21)29/h5-9,14,22,24,27H,10-13,15-18H2,1-4H3/t22-,24-,27-,28-,29+,30-/m1/s1
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2.58n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4661
PNG
(US8530494, 205)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C33H37NO4/c1-34-15-14-32-28-24-10-11-26(35-2)29(28)38-30(32)33(36-3)13-12-31(32,27(34)17-24)18-25(33)20-37-19-21-8-9-22-6-4-5-7-23(22)16-21/h4-11,16,25,27,30H,12-15,17-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4667
PNG
(US8530494, 208)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(C)(C)C)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C33H43NO4/c1-30(2,3)23-10-7-21(8-11-23)19-37-20-24-18-31-13-14-33(24,36-6)29-32(31)15-16-34(4)26(31)17-22-9-12-25(35-5)28(38-29)27(22)32/h7-12,24,26,29H,13-20H2,1-6H3/t24-,26-,29-,31-,32+,33-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4720
PNG
(US8530494, 202)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C28H33NO4/c1-29-14-13-27-23-18-9-10-21(30-2)24(23)33-25(27)28(31-3)12-11-26(27,22(29)15-18)16-19(28)17-32-20-7-5-4-6-8-20/h4-10,19,22,25H,11-17H2,1-3H3/t19-,22-,25-,26-,27+,28-/m1/s1
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2.95n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4725
PNG
(US8530494, 109)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(C)(C)C)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C36H47NO4/c1-33(2,3)26-11-8-24(9-12-26)21-40-22-27-19-34-14-15-36(27,39-5)32-35(34)16-17-37(20-23-6-7-23)29(34)18-25-10-13-28(38-4)31(41-32)30(25)35/h8-13,23,27,29,32H,6-7,14-22H2,1-5H3/t27-,29-,32-,34-,35+,36-/m1/s1
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3.58n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4523
PNG
(US8530494, 110)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COC\C=C\c1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C34H41NO4/c1-36-27-13-12-25-19-28-32-14-15-34(37-2,26(20-32)22-38-18-6-9-23-7-4-3-5-8-23)31-33(32,29(25)30(27)39-31)16-17-35(28)21-24-10-11-24/h3-9,12-13,24,26,28,31H,10-11,14-22H2,1-2H3/b9-6+/t26-,28-,31-,32-,33+,34-/m1/s1
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4.35n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4390
PNG
(US8530494, 204)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H34F3NO4/c1-34-13-12-28-24-19-6-9-22(35-2)25(24)38-26(28)29(36-3)11-10-27(28,23(34)14-19)15-21(29)17-37-16-18-4-7-20(8-5-18)30(31,32)33/h4-9,21,23,26H,10-17H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1
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4.38n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4778
PNG
(US8530494, 212)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(OC(F)(F)F)cc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H34F3NO5/c1-34-13-12-28-24-19-6-9-22(35-2)25(24)38-26(28)29(36-3)11-10-27(28,23(34)14-19)15-20(29)17-37-16-18-4-7-21(8-5-18)39-30(31,32)33/h4-9,20,23,26H,10-17H2,1-3H3/t20-,23-,26-,27-,28+,29-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4778
PNG
(US8530494, 212)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(OC(F)(F)F)cc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H34F3NO5/c1-34-13-12-28-24-19-6-9-22(35-2)25(24)38-26(28)29(36-3)11-10-27(28,23(34)14-19)15-20(29)17-37-16-18-4-7-21(8-5-18)39-30(31,32)33/h4-9,20,23,26H,10-17H2,1-3H3/t20-,23-,26-,27-,28+,29-/m1/s1
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5.71n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4782
PNG
(US8530494, 12)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC#C)OC |r|
Show InChI InChI=1S/C25H31NO4/c1-5-12-29-15-17-14-23-8-9-25(17,28-4)22-24(23)10-11-26(2)19(23)13-16-6-7-18(27-3)21(30-22)20(16)24/h1,6-7,17,19,22H,8-15H2,2-4H3/t17?,19-,22?,23?,24+,25?/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4362
PNG
(US8530494, 215)
Show SMILES COc1cccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(C)CC[C@@]426)ccc5OC)c1 |r,THB:9:10:29.18:13.14|
Show InChI InChI=1S/C30H37NO5/c1-31-13-12-29-25-20-8-9-23(33-3)26(25)36-27(29)30(34-4)11-10-28(29,24(31)15-20)16-21(30)18-35-17-19-6-5-7-22(14-19)32-2/h5-9,14,21,24,27H,10-13,15-18H2,1-4H3/t21-,24-,27-,28-,29+,30-/m1/s1
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6.37n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4784
PNG
(US8530494, 13)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC=C)OC |r|
Show InChI InChI=1S/C25H33NO4/c1-5-12-29-15-17-14-23-8-9-25(17,28-4)22-24(23)10-11-26(2)19(23)13-16-6-7-18(27-3)21(30-22)20(16)24/h5-7,17,19,22H,1,8-15H2,2-4H3/t17?,19-,22?,23?,24+,25?/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4725
PNG
(US8530494, 109)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(C)(C)C)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C36H47NO4/c1-33(2,3)26-11-8-24(9-12-26)21-40-22-27-19-34-14-15-36(27,39-5)32-35(34)16-17-37(20-23-6-7-23)29(34)18-25-10-13-28(38-4)31(41-32)30(25)35/h8-13,23,27,29,32H,6-7,14-22H2,1-5H3/t27-,29-,32-,34-,35+,36-/m1/s1
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7.99n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4203
PNG
(US8530494, 6 | US9221831, 10)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H39NO4/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-36-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)37-29)14-15-33(26)18-21-8-9-21/h3-7,10-11,21,24,26,29H,8-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4667
PNG
(US8530494, 208)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(C)(C)C)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C33H43NO4/c1-30(2,3)23-10-7-21(8-11-23)19-37-20-24-18-31-13-14-33(24,36-6)29-32(31)15-16-34(4)26(31)17-22-9-12-25(35-5)28(38-29)27(22)32/h7-12,24,26,29H,13-20H2,1-6H3/t24-,26-,29-,31-,32+,33-/m1/s1
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US Patent
12.1n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4207
PNG
(US8530494, 103)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C31H37NO4/c1-33-24-11-10-21-16-25-29-12-13-31(34-2,22(17-29)19-35-23-6-4-3-5-7-23)28-30(29,26(21)27(24)36-28)14-15-32(25)18-20-8-9-20/h3-7,10-11,20,22,25,28H,8-9,12-19H2,1-2H3/t22-,25-,28-,29-,30+,31-/m1/s1
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14.4n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4720
PNG
(US8530494, 202)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C28H33NO4/c1-29-14-13-27-23-18-9-10-21(30-2)24(23)33-25(27)28(31-3)12-11-26(27,22(29)15-18)16-19(28)17-32-20-7-5-4-6-8-20/h4-10,19,22,25H,11-17H2,1-3H3/t19-,22-,25-,26-,27+,28-/m1/s1
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16.2n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4387
PNG
(US8530494, 105)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H37Cl2NO4/c1-36-25-8-6-21-14-26-30-9-10-32(37-2,22(15-30)18-38-17-20-5-7-23(33)24(34)13-20)29-31(30,27(21)28(25)39-29)11-12-35(26)16-19-3-4-19/h5-8,13,19,22,26,29H,3-4,9-12,14-18H2,1-2H3/t22-,26-,29-,30-,31+,32-/m1/s1
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21.1n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4661
PNG
(US8530494, 205)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C33H37NO4/c1-34-15-14-32-28-24-10-11-26(35-2)29(28)38-30(32)33(36-3)13-12-31(32,27(34)17-24)18-25(33)20-37-19-21-8-9-22-6-4-5-7-23(22)16-21/h4-11,16,25,27,30H,12-15,17-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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22.5n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4009
PNG
(US8530494, 207)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H37NO4/c1-19-6-5-7-20(14-19)17-34-18-22-16-28-10-11-30(22,33-4)27-29(28)12-13-31(2)24(28)15-21-8-9-23(32-3)26(35-27)25(21)29/h5-9,14,22,24,27H,10-13,15-18H2,1-4H3/t22-,24-,27-,28-,29+,30-/m1/s1
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24.0n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4211
PNG
(US8530494, 101)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H45NO4/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-36-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)37-29)14-15-33(26)18-21-8-9-21/h10-11,21-22,24,26,29H,3-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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25.6n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4654
PNG
(US8530494, 104)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)-c1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C38H43NO4/c1-40-31-15-14-29-20-32-36-16-17-38(41-2,35-37(36,33(29)34(31)43-35)18-19-39(32)22-25-8-9-25)30(21-36)24-42-23-26-10-12-28(13-11-26)27-6-4-3-5-7-27/h3-7,10-15,25,30,32,35H,8-9,16-24H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1
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25.8n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4249
PNG
(US8530494, 50)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCC1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C27H37NO4/c1-28-12-11-26-22-18-7-8-20(29-2)23(22)32-24(26)27(30-3)10-9-25(26,21(28)13-18)14-19(27)16-31-15-17-5-4-6-17/h7-8,17,19,21,24H,4-6,9-16H2,1-3H3/t19-,21-,24-,25-,26+,27-/m1/s1
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29.6n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4513
PNG
(US8530494, 8)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC=C)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C28H37NO4/c1-4-13-32-17-20-15-26-9-10-28(20,31-3)25-27(26)11-12-29(16-18-5-6-18)22(26)14-19-7-8-21(30-2)24(33-25)23(19)27/h4,7-8,18,20,22,25H,1,5-6,9-17H2,2-3H3/t20-,22-,25-,26-,27+,28-/m1/s1
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36n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM3916
PNG
(US8530494, 206)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H33Cl2NO4/c1-32-11-10-28-24-18-5-7-22(33-2)25(24)36-26(28)29(34-3)9-8-27(28,23(32)13-18)14-19(29)16-35-15-17-4-6-20(30)21(31)12-17/h4-7,12,19,23,26H,8-11,13-16H2,1-3H3/t19-,23-,26-,27-,28+,29-/m1/s1
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36.1n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4782
PNG
(US8530494, 12)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC#C)OC |r|
Show InChI InChI=1S/C25H31NO4/c1-5-12-29-15-17-14-23-8-9-25(17,28-4)22-24(23)10-11-26(2)19(23)13-16-6-7-18(27-3)21(30-22)20(16)24/h1,6-7,17,19,22H,8-15H2,2-4H3/t17?,19-,22?,23?,24+,25?/m1/s1
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42n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4538
PNG
(US8530494, 7)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@@H]1COCC#N)OC |r,THB:9:8:6.5.19:23|
Show InChI InChI=1S/C27H34N2O4/c1-30-20-6-5-18-13-21-25-7-8-27(31-2,19(14-25)16-32-12-10-28)24-26(25,22(18)23(20)33-24)9-11-29(21)15-17-3-4-17/h5-6,17,19,21,24H,3-4,7-9,11-16H2,1-2H3/t19-,21-,24-,25-,26+,27?/m1/s1
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43n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM101526
PNG
(US8530494, 11 | US8530652, 53 | US8530652, 98)
Show SMILES CC1(C)N(Cc2c(Nc3ncnc4ccoc34)n[nH]c12)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C23H23N7O2/c1-23(2)19-15(20(29-28-19)27-21-18-16(8-9-32-18)24-12-25-21)11-30(23)22(31)26-17-10-14(17)13-6-4-3-5-7-13/h3-9,12,14,17H,10-11H2,1-2H3,(H,26,31)(H2,24,25,27,28,29)/t14-,17+/m1/s1
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58n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4784
PNG
(US8530494, 13)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC=C)OC |r|
Show InChI InChI=1S/C25H33NO4/c1-5-12-29-15-17-14-23-8-9-25(17,28-4)22-24(23)10-11-26(2)19(23)13-16-6-7-18(27-3)21(30-22)20(16)24/h5-7,17,19,22H,1,8-15H2,2-4H3/t17?,19-,22?,23?,24+,25?/m1/s1
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59n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4207
PNG
(US8530494, 103)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C31H37NO4/c1-33-24-11-10-21-16-25-29-12-13-31(34-2,22(17-29)19-35-23-6-4-3-5-7-23)28-30(29,26(21)27(24)36-28)14-15-32(25)18-20-8-9-20/h3-7,10-11,20,22,25,28H,8-9,12-19H2,1-2H3/t22-,25-,28-,29-,30+,31-/m1/s1
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89.3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM3992
PNG
(US8530494, 201)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H41NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h9-10,19,21,23,26H,4-8,11-18H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1
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90.0n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4392
PNG
(US8530494, 106)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H38F3NO4/c1-38-25-10-7-22-15-26-30-11-12-32(39-2,24(16-30)19-40-18-21-5-8-23(9-6-21)33(34,35)36)29-31(30,27(22)28(25)41-29)13-14-37(26)17-20-3-4-20/h5-10,20,24,26,29H,3-4,11-19H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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96.3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4513
PNG
(US8530494, 8)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC=C)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C28H37NO4/c1-4-13-32-17-20-15-26-9-10-28(20,31-3)25-27(26)11-12-29(16-18-5-6-18)22(26)14-19-7-8-21(30-2)24(33-25)23(19)27/h4,7-8,18,20,22,25H,1,5-6,9-17H2,2-3H3/t20-,22-,25-,26-,27+,28-/m1/s1
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127n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4656
PNG
(US8530494, 211)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccncc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C28H34N2O4/c1-30-13-10-27-23-19-4-5-21(31-2)24(23)34-25(27)28(32-3)9-8-26(27,22(30)14-19)15-20(28)17-33-16-18-6-11-29-12-7-18/h4-7,11-12,20,22,25H,8-10,13-17H2,1-3H3/t20-,22-,25-,26-,27+,28-/m1/s1
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163n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4205
PNG
(US8530494, 203)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)cc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H34ClNO4/c1-31-13-12-28-24-19-6-9-22(32-2)25(24)35-26(28)29(33-3)11-10-27(28,23(31)14-19)15-20(29)17-34-16-18-4-7-21(30)8-5-18/h4-9,20,23,26H,10-17H2,1-3H3/t20-,23-,26-,27-,28+,29-/m1/s1
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165n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4538
PNG
(US8530494, 7)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@@H]1COCC#N)OC |r,THB:9:8:6.5.19:23|
Show InChI InChI=1S/C27H34N2O4/c1-30-20-6-5-18-13-21-25-7-8-27(31-2,19(14-25)16-32-12-10-28)24-26(25,22(18)23(20)33-24)9-11-29(21)15-17-3-4-17/h5-6,17,19,21,24H,3-4,7-9,11-16H2,1-2H3/t19-,21-,24-,25-,26+,27?/m1/s1
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221n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4390
PNG
(US8530494, 204)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H34F3NO4/c1-34-13-12-28-24-19-6-9-22(35-2)25(24)38-26(28)29(36-3)11-10-27(28,23(34)14-19)15-21(29)17-37-16-18-4-7-20(8-5-18)30(31,32)33/h4-9,21,23,26H,10-17H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1
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241n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4720
PNG
(US8530494, 202)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C28H33NO4/c1-29-14-13-27-23-18-9-10-21(30-2)24(23)33-25(27)28(31-3)12-11-26(27,22(29)15-18)16-19(28)17-32-20-7-5-4-6-8-20/h4-10,19,22,25H,11-17H2,1-3H3/t19-,22-,25-,26-,27+,28-/m1/s1
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306n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4661
PNG
(US8530494, 205)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C33H37NO4/c1-34-15-14-32-28-24-10-11-26(35-2)29(28)38-30(32)33(36-3)13-12-31(32,27(34)17-24)18-25(33)20-37-19-21-8-9-22-6-4-5-7-23(22)16-21/h4-11,16,25,27,30H,12-15,17-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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325n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4667
PNG
(US8530494, 208)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(C)(C)C)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C33H43NO4/c1-30(2,3)23-10-7-21(8-11-23)19-37-20-24-18-31-13-14-33(24,36-6)29-32(31)15-16-34(4)26(31)17-22-9-12-25(35-5)28(38-29)27(22)32/h7-12,24,26,29H,13-20H2,1-6H3/t24-,26-,29-,31-,32+,33-/m1/s1
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355n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4203
PNG
(US8530494, 6 | US9221831, 10)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H39NO4/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-36-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)37-29)14-15-33(26)18-21-8-9-21/h3-7,10-11,21,24,26,29H,8-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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532n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4267
PNG
(US8530494, 11)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCc1ccccc1)OC |r|
Show InChI InChI=1S/C29H35NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h4-10,21,23,26H,11-18H2,1-3H3/t21?,23-,26?,27?,28+,29?/m1/s1
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569n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4387
PNG
(US8530494, 105)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H37Cl2NO4/c1-36-25-8-6-21-14-26-30-9-10-32(37-2,22(15-30)18-38-17-20-5-7-23(33)24(34)13-20)29-31(30,27(21)28(25)39-29)11-12-35(26)16-19-3-4-19/h5-8,13,19,22,26,29H,3-4,9-12,14-18H2,1-2H3/t22-,26-,29-,30-,31+,32-/m1/s1
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823n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM3992
PNG
(US8530494, 201)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H41NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h9-10,19,21,23,26H,4-8,11-18H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1
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1.03E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4782
PNG
(US8530494, 12)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC#C)OC |r|
Show InChI InChI=1S/C25H31NO4/c1-5-12-29-15-17-14-23-8-9-25(17,28-4)22-24(23)10-11-26(2)19(23)13-16-6-7-18(27-3)21(30-22)20(16)24/h1,6-7,17,19,22H,8-15H2,2-4H3/t17?,19-,22?,23?,24+,25?/m1/s1
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1.04E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4205
PNG
(US8530494, 203)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)cc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H34ClNO4/c1-31-13-12-28-24-19-6-9-22(32-2)25(24)35-26(28)29(33-3)11-10-27(28,23(31)14-19)15-20(29)17-34-16-18-4-7-21(30)8-5-18/h4-9,20,23,26H,10-17H2,1-3H3/t20-,23-,26-,27-,28+,29-/m1/s1
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1.12E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4211
PNG
(US8530494, 101)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C32H45NO4/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-36-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)37-29)14-15-33(26)18-21-8-9-21/h10-11,21-22,24,26,29H,3-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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1.17E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4784
PNG
(US8530494, 13)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC=C)OC |r|
Show InChI InChI=1S/C25H33NO4/c1-5-12-29-15-17-14-23-8-9-25(17,28-4)22-24(23)10-11-26(2)19(23)13-16-6-7-18(27-3)21(30-22)20(16)24/h5-7,17,19,22H,1,8-15H2,2-4H3/t17?,19-,22?,23?,24+,25?/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM3916
PNG
(US8530494, 206)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C29H33Cl2NO4/c1-32-11-10-28-24-18-5-7-22(33-2)25(24)36-26(28)29(34-3)9-8-27(28,23(32)13-18)14-19(29)16-35-15-17-4-6-20(30)21(31)12-17/h4-7,12,19,23,26H,8-11,13-16H2,1-3H3/t19-,23-,26-,27-,28+,29-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4009
PNG
(US8530494, 207)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H37NO4/c1-19-6-5-7-20(14-19)17-34-18-22-16-28-10-11-30(22,33-4)27-29(28)12-13-31(2)24(28)15-21-8-9-23(32-3)26(35-27)25(21)29/h5-9,14,22,24,27H,10-13,15-18H2,1-4H3/t22-,24-,27-,28-,29+,30-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4654
PNG
(US8530494, 104)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)-c1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C38H43NO4/c1-40-31-15-14-29-20-32-36-16-17-38(41-2,35-37(36,33(29)34(31)43-35)18-19-39(32)22-25-8-9-25)30(21-36)24-42-23-26-10-12-28(13-11-26)27-6-4-3-5-7-27/h3-7,10-15,25,30,32,35H,8-9,16-24H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1
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US Patent
1.75E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4720
PNG
(US8530494, 202)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C28H33NO4/c1-29-14-13-27-23-18-9-10-21(30-2)24(23)33-25(27)28(31-3)12-11-26(27,22(29)15-18)16-19(28)17-32-20-7-5-4-6-8-20/h4-10,19,22,25H,11-17H2,1-3H3/t19-,22-,25-,26-,27+,28-/m1/s1
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US Patent
2.57E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4392
PNG
(US8530494, 106)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C33H38F3NO4/c1-38-25-10-7-22-15-26-30-11-12-32(39-2,24(16-30)19-40-18-21-5-8-23(9-6-21)33(34,35)36)29-31(30,27(22)28(25)41-29)13-14-37(26)17-20-3-4-20/h5-10,20,24,26,29H,3-4,11-19H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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3.96E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4667
PNG
(US8530494, 208)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(C)(C)C)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C33H43NO4/c1-30(2,3)23-10-7-21(8-11-23)19-37-20-24-18-31-13-14-33(24,36-6)29-32(31)15-16-34(4)26(31)17-22-9-12-25(35-5)28(38-29)27(22)32/h7-12,24,26,29H,13-20H2,1-6H3/t24-,26-,29-,31-,32+,33-/m1/s1
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4.56E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4207
PNG
(US8530494, 103)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C31H37NO4/c1-33-24-11-10-21-16-25-29-12-13-31(34-2,22(17-29)19-35-23-6-4-3-5-7-23)28-30(29,26(21)27(24)36-28)14-15-32(25)18-20-8-9-20/h3-7,10-11,20,22,25,28H,8-9,12-19H2,1-2H3/t22-,25-,28-,29-,30+,31-/m1/s1
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9.61E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4390
PNG
(US8530494, 204)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C30H34F3NO4/c1-34-13-12-28-24-19-6-9-22(35-2)25(24)38-26(28)29(36-3)11-10-27(28,23(34)14-19)15-21(29)17-37-16-18-4-7-20(8-5-18)30(31,32)33/h4-9,21,23,26H,10-17H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1
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US Patent
1.38E+4n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4661
PNG
(US8530494, 205)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:23:22:12.13:19.18|
Show InChI InChI=1S/C33H37NO4/c1-34-15-14-32-28-24-10-11-26(35-2)29(28)38-30(32)33(36-3)13-12-31(32,27(34)17-24)18-25(33)20-37-19-21-8-9-22-6-4-5-7-23(22)16-21/h4-11,16,25,27,30H,12-15,17-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM4654
PNG
(US8530494, 104)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)-c1ccccc1)OC |r,TLB:26:25:15.16:22.21|
Show InChI InChI=1S/C38H43NO4/c1-40-31-15-14-29-20-32-36-16-17-38(41-2,35-37(36,33(29)34(31)43-35)18-19-39(32)22-25-8-9-25)30(21-36)24-42-23-26-10-12-28(13-11-26)27-6-4-3-5-7-27/h3-7,10-15,25,30,32,35H,8-9,16-24H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1
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US Patent
>2.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%