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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 421.5
BDBM97716
Wt: 421.5
BDBM97711
Wt: 421.5
BDBM182733

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 28 hits in this display   
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))
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
Opioid growth factor receptor-like protein 1


(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
5.70n/an/an/an/an/an/a7.4n/a



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

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(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 -43.7n/an/an/an/an/a7.44



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

US Patent


Assay Description
ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Recepto...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(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
203n/an/an/an/an/an/a7.4n/a



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

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
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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US Patent
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
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM182733
PNG
(US9145408, 360)
Show SMILES OC(=O)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CC3CCCC(C3)C2)c1=O |TLB:19:20:27:23.24.25,11:12:15.16:19,20:19:12.18.13:15.16|
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)
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US Patent
203 -35.5n/an/an/an/an/a7.44



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

US Patent


Assay Description
ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Recepto...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM182733
PNG
(US9145408, 360)
Show SMILES OC(=O)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CC3CCCC(C3)C2)c1=O |TLB:19:20:27:23.24.25,11:12:15.16:19,20:19:12.18.13:15.16|
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)
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US Patent
2.69E+3 -29.6n/an/an/an/an/a7.44



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

US Patent


Assay Description
Alpha-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned i...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
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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US Patent
2.69E+3n/an/an/an/an/an/a7.4n/a



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

US Patent


Assay Description
Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
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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US Patent
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))
BDBM182733
PNG
(US9145408, 360)
Show SMILES OC(=O)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CC3CCCC(C3)C2)c1=O |TLB:19:20:27:23.24.25,11:12:15.16:19,20:19:12.18.13:15.16|
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)
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US Patent
3.83E+3 -30.9n/an/an/an/an/a7.425



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

US Patent


Assay Description
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.2 nM[3H]-diprenorphine (NEN,...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
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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US Patent
3.83E+3n/an/an/an/an/an/a7.4n/a



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

US Patent


Assay Description
Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
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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US Patent
4.45E+3n/an/an/an/an/an/a7.4n/a



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

US Patent


Assay Description
Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
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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US Patent
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
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
mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.2 nM[3H]-diprenorphine (NEN,...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
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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US Patent
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))
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+3n/an/an/an/an/an/a7.4n/a



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

US Patent


Assay Description
Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
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 -27.7n/an/an/an/an/a7.44



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

US Patent


Assay Description
Alpha-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned i...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM182733
PNG
(US9145408, 360)
Show SMILES OC(=O)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CC3CCCC(C3)C2)c1=O |TLB:19:20:27:23.24.25,11:12:15.16:19,20:19:12.18.13:15.16|
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)
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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
Beta-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 ug m...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
More data for this
Ligand-Target Pair
Delta-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+4n/an/an/an/an/an/a7.4n/a



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

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Delta-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
Beta-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 ug m...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
More data for this
Ligand-Target Pair
Delta-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+4n/an/an/an/an/an/a7.4n/a



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

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
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
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
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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n/an/an/an/a>2.00E+4n/an/a7.425



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

US Patent


Assay Description
Mu-Opioid Receptor Functional Assay Procedures: [35S]GTP gamma S functional assays were conducted using freshly thawed mu-receptor membranes. Assay r...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(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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n/an/an/an/a 57.2n/an/a7.44



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

US Patent


Assay Description
ORL-1 Receptor [35S]GTPγS Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like (ORL-1) (...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM182733
PNG
(US9145408, 360)
Show SMILES OC(=O)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CC3CCCC(C3)C2)c1=O |TLB:19:20:27:23.24.25,11:12:15.16:19,20:19:12.18.13:15.16|
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)
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n/an/an/an/a 1.67E+3n/an/a7.44



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

US Patent


Assay Description
ORL-1 Receptor [35S]GTPγS Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like (ORL-1) (...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
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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n/an/an/an/a>2.00E+4n/an/a7.425



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

US Patent


Assay Description
Alpha-Opioid Receptor Functional Assay Procedures: Functional [35S]GTPgammaS binding assays were conducted as follows. Kappa opioid receptor membrane...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
More data for this
Ligand-Target Pair