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Patent code US8476271

Compile Data Set for Download or QSAR
Found 28 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
Nociceptin receptor


(Homo sapiens (Human))		BDBM97714
PNG
(US8476271, 405)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r,THB:8:10:18.17.16:12.13.14|
Show InChI InChI=1S/C27H35N3O3/c1-16-9-17-11-18(10-16)13-21(12-17)29-19-5-4-6-20(29)15-22(14-19)30-24-8-3-2-7-23(24)28-25(26(30)31)27(32)33/h2-3,7-8,16-22H,4-6,9-15H2,1H3,(H,32,33)/t16-,17-,18+,19-,20+,21+,22+
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US Patent
 1.10 -51.1n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM97710
PNG
(US8476271, 16 | US9145408, 362)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:11:12:20:15.17.16,THB:20:21:28:25.24.26|
Show InChI InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)/t16?,17?,18-,19+,20?,21+
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US Patent
 2.40 -49.2n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM97711
PNG
(US8476271, 17 | US8846929, 360 | US8846929, 361 | ...)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,THB:19:20:27:24.23.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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US Patent
 5.70 -47.1n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM97712
PNG
(US8476271, 18 | US8846929, 358 | US9145408, 358)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O |r|
Show InChI InChI=1S/C27H37N3O3/c31-26-25(27(32)33)28-23-13-9-10-14-24(23)30(26)22-17-20-15-16-21(18-22)29(20)19-11-7-5-3-1-2-4-6-8-12-19/h9-10,13-14,19-22H,1-8,11-12,15-18H2,(H,32,33)/t20-,21+,22+
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US Patent
 9 -45.9n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM97715
PNG
(US8476271, 96 | US8846929, 356 | US9145408, 356)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r|
Show InChI InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23+
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US Patent
 43.1 -42.0n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM97714
PNG
(US8476271, 405)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r,THB:8:10:18.17.16:12.13.14|
Show InChI InChI=1S/C27H35N3O3/c1-16-9-17-11-18(10-16)13-21(12-17)29-19-5-4-6-20(29)15-22(14-19)30-24-8-3-2-7-23(24)28-25(26(30)31)27(32)33/h2-3,7-8,16-22H,4-6,9-15H2,1H3,(H,32,33)/t16-,17-,18+,19-,20+,21+,22+
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US Patent
 61.6 -41.2n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97714
PNG
(US8476271, 405)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r,THB:8:10:18.17.16:12.13.14|
Show InChI InChI=1S/C27H35N3O3/c1-16-9-17-11-18(10-16)13-21(12-17)29-19-5-4-6-20(29)15-22(14-19)30-24-8-3-2-7-23(24)28-25(26(30)31)27(32)33/h2-3,7-8,16-22H,4-6,9-15H2,1H3,(H,32,33)/t16-,17-,18+,19-,20+,21+,22+
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US Patent
 75.4 -40.7n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97715
PNG
(US8476271, 96 | US8846929, 356 | US9145408, 356)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r|
Show InChI InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23+
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US Patent
 76 -40.6n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM97713
PNG
(US8476271, 19 | US8846929, 222)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O |r|
Show InChI InChI=1S/C26H33N3O3/c30-24-23(25(31)32)27-21-10-1-2-11-22(21)28(24)20-14-18-8-3-9-19(15-20)29(18)26-12-4-6-17(16-26)7-5-13-26/h1-2,10-11,17-20H,3-9,12-16H2,(H,31,32)/t17?,18-,19+,20+,26?
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 178 -38.5n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM97716
PNG
(US8476271, 97)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:19:20:27:23.24.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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 203 -38.2n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97712
PNG
(US8476271, 18 | US8846929, 358 | US9145408, 358)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O |r|
Show InChI InChI=1S/C27H37N3O3/c31-26-25(27(32)33)28-23-13-9-10-14-24(23)30(26)22-17-20-15-16-21(18-22)29(20)19-11-7-5-3-1-2-4-6-8-12-19/h9-10,13-14,19-22H,1-8,11-12,15-18H2,(H,32,33)/t20-,21+,22+
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US Patent
 640 -35.4n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97714
PNG
(US8476271, 405)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r,THB:8:10:18.17.16:12.13.14|
Show InChI InChI=1S/C27H35N3O3/c1-16-9-17-11-18(10-16)13-21(12-17)29-19-5-4-6-20(29)15-22(14-19)30-24-8-3-2-7-23(24)28-25(26(30)31)27(32)33/h2-3,7-8,16-22H,4-6,9-15H2,1H3,(H,32,33)/t16-,17-,18+,19-,20+,21+,22+
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US Patent
 691 -35.2n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM97715
PNG
(US8476271, 96 | US8846929, 356 | US9145408, 356)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r|
Show InChI InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23+
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US Patent
 1.44E+3 -33.3n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM97712
PNG
(US8476271, 18 | US8846929, 358 | US9145408, 358)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O |r|
Show InChI InChI=1S/C27H37N3O3/c31-26-25(27(32)33)28-23-13-9-10-14-24(23)30(26)22-17-20-15-16-21(18-22)29(20)19-11-7-5-3-1-2-4-6-8-12-19/h9-10,13-14,19-22H,1-8,11-12,15-18H2,(H,32,33)/t20-,21+,22+
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US Patent
 1.60E+3 -33.1n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM97710
PNG
(US8476271, 16 | US9145408, 362)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:11:12:20:15.17.16,THB:20:21:28:25.24.26|
Show InChI InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)/t16?,17?,18-,19+,20?,21+
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US Patent
 1.63E+3 -33.0n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97710
PNG
(US8476271, 16 | US9145408, 362)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:11:12:20:15.17.16,THB:20:21:28:25.24.26|
Show InChI InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)/t16?,17?,18-,19+,20?,21+
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US Patent
 2.28E+3 -32.2n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97716
PNG
(US8476271, 97)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:19:20:27:23.24.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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US Patent
 2.69E+3 -31.8n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM97716
PNG
(US8476271, 97)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:19:20:27:23.24.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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 3.83E+3 -30.9n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM97713
PNG
(US8476271, 19 | US8846929, 222)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O |r|
Show InChI InChI=1S/C26H33N3O3/c30-24-23(25(31)32)27-21-10-1-2-11-22(21)28(24)20-14-18-8-3-9-19(15-20)29(18)26-12-4-6-17(16-26)7-5-13-26/h1-2,10-11,17-20H,3-9,12-16H2,(H,31,32)/t17?,18-,19+,20+,26?
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 4.03E+3 -30.8n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM97711
PNG
(US8476271, 17 | US8846929, 360 | US8846929, 361 | ...)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,THB:19:20:27:24.23.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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 4.45E+3 -30.5n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97710
PNG
(US8476271, 16 | US9145408, 362)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:11:12:20:15.17.16,THB:20:21:28:25.24.26|
Show InChI InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)/t16?,17?,18-,19+,20?,21+
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 4.76E+3 -30.4n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97713
PNG
(US8476271, 19 | US8846929, 222)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O |r|
Show InChI InChI=1S/C26H33N3O3/c30-24-23(25(31)32)27-21-10-1-2-11-22(21)28(24)20-14-18-8-3-9-19(15-20)29(18)26-12-4-6-17(16-26)7-5-13-26/h1-2,10-11,17-20H,3-9,12-16H2,(H,31,32)/t17?,18-,19+,20+,26?
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 5.35E+3 -30.1n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97711
PNG
(US8476271, 17 | US8846929, 360 | US8846929, 361 | ...)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,THB:19:20:27:24.23.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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 6.14E+3 -29.7n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97712
PNG
(US8476271, 18 | US8846929, 358 | US9145408, 358)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O |r|
Show InChI InChI=1S/C27H37N3O3/c31-26-25(27(32)33)28-23-13-9-10-14-24(23)30(26)22-17-20-15-16-21(18-22)29(20)19-11-7-5-3-1-2-4-6-8-12-19/h9-10,13-14,19-22H,1-8,11-12,15-18H2,(H,32,33)/t20-,21+,22+
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 8.90E+3 -28.8n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97715
PNG
(US8476271, 96 | US8846929, 356 | US9145408, 356)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r|
Show InChI InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23+
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 1.82E+4 -27.1n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97716
PNG
(US8476271, 97)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:19:20:27:23.24.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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>2.00E+4>-26.8n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97713
PNG
(US8476271, 19 | US8846929, 222)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O |r|
Show InChI InChI=1S/C26H33N3O3/c30-24-23(25(31)32)27-21-10-1-2-11-22(21)28(24)20-14-18-8-3-9-19(15-20)29(18)26-12-4-6-17(16-26)7-5-13-26/h1-2,10-11,17-20H,3-9,12-16H2,(H,31,32)/t17?,18-,19+,20+,26?
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>2.00E+4>-26.8n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM97711
PNG
(US8476271, 17 | US8846929, 360 | US8846929, 361 | ...)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,THB:19:20:27:24.23.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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>2.00E+4>-26.8n/an/an/an/an/a7.425



Purdue Pharma, L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.

US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%