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Compile Data Set for Download or QSAR

Found 3284 hits with Last Name = 'tao' and Initial = 'y'   
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
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM16434
PNG
(US8846929, 290)
Show SMILES [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 |r,TLB:11:8:25:2.4.3|
Show InChI InChI=1S/C26H35N3O3/c30-25-24(26(31)32)27-22-14-7-8-15-23(22)29(25)21-16-19-12-9-13-20(17-21)28(19)18-10-5-3-1-2-4-6-11-18/h7-8,14-15,18-21H,1-6,9-13,16-17H2,(H,31,32)/t19-,20+,21+
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US Patent
1.40n/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))
BDBM133966
PNG
(US8846929, 364)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(C(O)=O)c1=O)CC2 |r|
Show InChI InChI=1S/C27H35N3O3/c1-27(2)17-8-7-16(21(27)13-17)11-12-29-18-9-10-19(29)15-20(14-18)30-23-6-4-3-5-22(23)28-24(25(30)31)26(32)33/h3-6,16-21H,7-15H2,1-2H3,(H,32,33)/t16-,17-,18-,19+,20+,21-/m0/s1
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US Patent
1.40n/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))
BDBM11828
PNG
(US8846929, 101)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@@H](N)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:27:2.3|
Show InChI InChI=1S/C27H39N5O/c28-19-14-15-30(18-19)26-27(33)32(25-11-7-6-10-24(25)29-26)23-16-21-12-13-22(17-23)31(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,19-23H,1-5,8-9,12-18,28H2/t19-,21-,22+,23+/m1/s1
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US Patent
1.60n/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))
BDBM50094650
PNG
(CHEMBL434060 | N-(4-Amino-2-ethyl-quinolin-6-yl)-2...)
Show SMILES CCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C25H22ClN3O2/c1-2-18-14-23(27)22-13-19(9-12-24(22)28-18)29-25(30)21-6-4-3-5-16(21)15-31-20-10-7-17(26)8-11-20/h3-14H,2,15H2,1H3,(H2,27,28)(H,29,30)
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1.80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094648
PNG
(CHEMBL139776 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C25H20F3N3O2/c1-15-12-22(29)21-13-18(8-11-23(21)30-15)31-24(32)20-5-3-2-4-16(20)14-33-19-9-6-17(7-10-19)25(26,27)28/h2-13H,14H2,1H3,(H2,29,30)(H,31,32)
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1.80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM16019
PNG
(US8846929, 288)
Show SMILES [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 |r,TLB:11:8:25:2.4.3|
Show InChI InChI=1S/C27H37N3O3/c31-26-25(27(32)33)28-23-15-8-9-16-24(23)30(26)22-17-20-13-10-14-21(18-22)29(20)19-11-6-4-2-1-3-5-7-12-19/h8-9,15-16,19-22H,1-7,10-14,17-18H2,(H,32,33)/t20-,21+,22+
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US Patent
1.80n/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))
BDBM50094640
PNG
(CHEMBL140640 | N-(4-Amino-2-propyl-quinolin-6-yl)-...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H24ClN3O2/c1-2-5-19-15-24(28)23-14-20(10-13-25(23)29-19)30-26(31)22-7-4-3-6-17(22)16-32-21-11-8-18(27)9-12-21/h3-4,6-15H,2,5,16H2,1H3,(H2,28,29)(H,30,31)
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1.80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM17605
PNG
(US8846929, 298)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 |r,TLB:10:7:24:2.3|
Show InChI InChI=1S/C25H33N3O3/c29-24-23(25(30)31)26-21-11-7-8-12-22(21)28(24)20-15-18-13-14-19(16-20)27(18)17-9-5-3-1-2-4-6-10-17/h7-8,11-12,17-20H,1-6,9-10,13-16H2,(H,30,31)/t18-,19+,20+
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2n/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))
BDBM50094651
PNG
(CHEMBL342580 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C24H20ClN3O2/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
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2.20n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094638
PNG
(CHEMBL337128 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(cc3)[N+]([O-])=O)ccc2n1
Show InChI InChI=1S/C24H20N4O4/c1-15-12-22(25)21-13-17(6-11-23(21)26-15)27-24(29)20-5-3-2-4-16(20)14-32-19-9-7-18(8-10-19)28(30)31/h2-13H,14H2,1H3,(H2,25,26)(H,27,29)
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2.30n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM18569
PNG
(US8846929, 362)
Show SMILES [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CC2CCCC(C2)C1 |r,@:26,TLB:11:8:25:2.4.3|
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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2.40n/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))
BDBM17276
PNG
(US8846929, 294)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 |r,TLB:10:7:24:2.3|
Show InChI InChI=1S/C26H35N3O3/c30-25-24(26(31)32)27-22-12-8-9-13-23(22)29(25)21-16-19-14-15-20(17-21)28(19)18-10-6-4-2-1-3-5-7-11-18/h8-9,12-13,18-21H,1-7,10-11,14-17H2,(H,31,32)/t19-,20+,21+
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2.5n/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))
BDBM50094642
PNG
(CHEMBL142454 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Br)cc3)ccc2n1
Show InChI InChI=1S/C24H20BrN3O2/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
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2.60n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM12729
PNG
(US8846929, 127)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:25:2.3|
Show InChI InChI=1S/C24H32N4O3/c29-23(26-31)22-24(30)28(21-11-7-6-10-20(21)25-22)19-14-17-12-13-18(15-19)27(17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19,31H,1-5,8-9,12-15H2,(H,26,29)/t17-,18+,19+
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2.70n/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))
BDBM15777
PNG
(US8846929, 286)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(C)(C)CC(C)(C)C |r,TLB:10:7:24:2.3|
Show InChI InChI=1S/C24H33N3O3/c1-23(2,3)14-24(4,5)27-15-10-11-16(27)13-17(12-15)26-19-9-7-6-8-18(19)25-20(21(26)28)22(29)30/h6-9,15-17H,10-14H2,1-5H3,(H,29,30)/t15-,16+,17+
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2.80n/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))
BDBM12256
PNG
(US8846929, 120)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](C)(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 |r,TLB:8:7:32:2.3,10:7:32:2.3|
Show InChI InChI=1S/C31H39N5O3/c1-31(18-23-15-16-24(19-31)35(23)22-10-6-4-3-5-7-11-22)36-26-13-9-8-12-25(26)34-28(30(36)38)29(37)33-21-14-17-27(39-2)32-20-21/h8-9,12-14,17,20,22-24H,3-7,10-11,15-16,18-19H2,1-2H3,(H,33,37)/t23-,24+,31+
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3.10n/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))
BDBM133953
PNG
(US8846929, 336)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:30,TLB:11:12:20:15.16.17|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-13-6-7-14-22(21)28(24)20-15-18-11-8-12-19(16-20)27(18)17-9-4-2-1-3-5-10-17/h4,6-7,9,13-14,17-20H,1-3,5,8,10-12,15-16H2,(H,30,31)/b9-4-/t17?,18-,19+,20+
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3.60n/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))
BDBM133882
PNG
(US8846929, 51)
Show SMILES N[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C25H37N5O/c26-19-12-15-29(18-19)24-25(31)30(23-11-7-6-10-22(23)27-24)21-13-16-28(17-14-21)20-8-4-2-1-3-5-9-20/h6-7,10-11,19-21H,1-5,8-9,12-18,26H2/t19-/m1/s1
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4n/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))
BDBM15308
PNG
(US8846929, 266)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28|
Show InChI InChI=1S/C28H35N3O3/c1-26-11-17-12-27(2,14-26)16-28(13-17,15-26)31-18-7-8-19(31)10-20(9-18)30-22-6-4-3-5-21(22)29-23(24(30)32)25(33)34/h3-6,17-20H,7-16H2,1-2H3,(H,33,34)/t17?,18-,19+,20+,26?,27?,28?
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4.10n/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))
BDBM133900
PNG
(US8846929, 69)
Show SMILES COc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H33N3O2/c1-29-23-24(28)27(22-12-8-7-11-21(22)25-23)20-15-18-13-14-19(16-20)26(18)17-9-5-3-2-4-6-10-17/h7-8,11-12,17-20H,2-6,9-10,13-16H2,1H3/t18-,19+,20+
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4.20n/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))
BDBM13043
PNG
(US8846929, 228)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(O)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
Show InChI InChI=1S/C29H41N5O5/c35-26(36)18-32(19-27(37)38)15-14-30-28-29(39)34(25-11-7-6-10-24(25)31-28)23-16-21-12-13-22(17-23)33(21)20-8-4-2-1-3-5-9-20/h6-7,10-11,20-23H,1-5,8-9,12-19H2,(H,30,31)(H,35,36)(H,37,38)/t21-,22+,23+
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4.40n/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))
BDBM11758
PNG
(US8846929, 94)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(N)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:24:2.3|
Show InChI InChI=1S/C24H32N4O2/c25-23(29)22-24(30)28(21-11-7-6-10-20(21)26-22)19-14-17-12-13-18(15-19)27(17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19H,1-5,8-9,12-15H2,(H2,25,29)/t17-,18+,19+
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4.42n/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))
BDBM133918
PNG
(US8846929, 94)
Show SMILES NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H32N4O2/c25-23(29)22-24(30)28(21-11-7-6-10-20(21)26-22)19-14-17-12-13-18(15-19)27(17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19H,1-5,8-9,12-15H2,(H2,25,29)/t17-,18+,19+
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4.42n/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))
BDBM17598
PNG
(US8846929, 296)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2[C@@]1([H])C2CCCC1CCC2 |r,TLB:10:7:24:2.3,24:25:29.30.28:34.33.32|
Show InChI InChI=1S/C25H31N3O3/c29-24-22(25(30)31)26-20-9-1-2-10-21(20)28(24)19-13-17-11-12-18(14-19)27(17)23-15-5-3-6-16(23)8-4-7-15/h1-2,9-10,15-19,23H,3-8,11-14H2,(H,30,31)/t15?,16?,17-,18+,19+,23?
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4.80n/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))
BDBM11620
PNG
(US8846929, 91)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(O)CO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:27:2.3|
Show InChI InChI=1S/C26H38N4O3/c31-17-22(32)16-27-25-26(33)30(24-11-7-6-10-23(24)28-25)21-14-19-12-13-20(15-21)29(19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-22,31-32H,1-5,8-9,12-17H2,(H,27,28)/t19-,20+,21+,22?
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5.54n/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))
BDBM133915
PNG
(US8846929, 91)
Show SMILES OCC(O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C26H38N4O3/c31-17-22(32)16-27-25-26(33)30(24-11-7-6-10-23(24)28-25)21-14-19-12-13-20(15-21)29(19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-22,31-32H,1-5,8-9,12-17H2,(H,27,28)/t19-,20+,21+,22?
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5.54n/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))
BDBM133869
PNG
(US8846929, 38)
Show SMILES O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCc2ccccc12
Show InChI InChI=1S/C29H36N4O/c34-29-28(32-21-16-22-10-6-8-14-26(22)32)30-25-13-7-9-15-27(25)33(29)24-17-19-31(20-18-24)23-11-4-2-1-3-5-12-23/h6-10,13-15,23-24H,1-5,11-12,16-21H2
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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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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))
BDBM133914
PNG
(US8846929, 90)
Show SMILES NC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C25H35N5O2/c26-23(31)16-27-24-25(32)30(22-11-7-6-10-21(22)28-24)20-14-18-12-13-19(15-20)29(18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-20H,1-5,8-9,12-16H2,(H2,26,31)(H,27,28)/t18-,19+,20+
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6.42n/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))
BDBM133920
PNG
(US8846929, 102)
Show SMILES OC[C@H](O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C26H38N4O3/c31-17-22(32)16-27-25-26(33)30(24-11-7-6-10-23(24)28-25)21-14-19-12-13-20(15-21)29(19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-22,31-32H,1-5,8-9,12-17H2,(H,27,28)/t19-,20+,21+,22-/m1/s1
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6.5n/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))
BDBM50094646
PNG
(CHEMBL139934 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CN(C(=O)c1ccccc1COc1ccc(Cl)cc1)c1ccc2nc(C)cc(N)c2c1
Show InChI InChI=1S/C25H22ClN3O2/c1-16-13-23(27)22-14-19(9-12-24(22)28-16)29(2)25(30)21-6-4-3-5-17(21)15-31-20-10-7-18(26)8-11-20/h3-14H,15H2,1-2H3,(H2,27,28)
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6.5n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 20: 418-21 (2010)


Article DOI: 10.1016/j.bmcl.2009.07.119
BindingDB Entry DOI: 10.7270/Q2BG2P4C
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094636
PNG
(CHEMBL140103 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C25H23N3O2/c1-16-7-10-20(11-8-16)30-15-18-5-3-4-6-21(18)25(29)28-19-9-12-24-22(14-19)23(26)13-17(2)27-24/h3-14H,15H2,1-2H3,(H2,26,27)(H,28,29)
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7n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM133859
PNG
(US8846929, 26)
Show SMILES NC(=N)NCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C24H37N7O/c25-24(26)28-15-14-27-22-23(32)31(21-11-7-6-10-20(21)29-22)19-12-16-30(17-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-19H,1-5,8-9,12-17H2,(H,27,29)(H4,25,26,28)
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7.10n/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))
BDBM12265
PNG
(US8846929, 122)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3ccc(=O)[nH]c3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
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7.5n/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))
BDBM133947
PNG
(US8846929, 328)
Show SMILES CN(C)C1(CCN(CC1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O |r|
Show InChI InChI=1S/C31H45N5O3/c1-33(2)31(30(38)39)16-18-34(19-17-31)28-29(37)36(27-13-9-8-12-26(27)32-28)25-20-23-14-15-24(21-25)35(23)22-10-6-4-3-5-7-11-22/h8-9,12-13,22-25H,3-7,10-11,14-21H2,1-2H3,(H,38,39)/t23-,24+,25+
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7.70n/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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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8.20n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM11778
PNG
(US8846929, 100)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@@H](CO)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
Show InChI InChI=1S/C26H36N4O4/c31-16-22(26(33)34)28-24-25(32)30(23-11-7-6-10-21(23)27-24)20-14-18-12-13-19(15-20)29(18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-20,22,31H,1-5,8-9,12-16H2,(H,27,28)(H,33,34)/t18-,19+,20+,22-/m0/s1
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8.20n/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))
BDBM16507
PNG
(US8846929, 292)
Show SMILES [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2[C@@]1([H])C2CCCC1CCC2 |r,TLB:11:8:25:2.4.3,25:26:30.31.29:35.34.33|
Show InChI InChI=1S/C26H33N3O3/c30-25-23(26(31)32)27-21-12-1-2-13-22(21)29(25)20-14-18-10-5-11-19(15-20)28(18)24-16-6-3-7-17(24)9-4-8-16/h1-2,12-13,16-20,24H,3-11,14-15H2,(H,31,32)/t16?,17?,18-,19+,20+,24?
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8.5n/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))
BDBM133870
PNG
(US8846929, 39)
Show SMILES N[C@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C25H37N5O/c26-19-12-15-29(18-19)24-25(31)30(23-11-7-6-10-22(23)27-24)21-13-16-28(17-14-21)20-8-4-2-1-3-5-9-20/h6-7,10-11,19-21H,1-5,8-9,12-18,26H2/t19-/m0/s1
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8.60n/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))
BDBM133952
PNG
(US8846929, 335)
Show SMILES CC1(CCCCCCC1)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r,THB:18:16:9:13.11.12|
Show InChI InChI=1S/C26H35N3O3/c1-26(14-7-3-2-4-8-15-26)29-18-10-9-11-19(29)17-20(16-18)28-22-13-6-5-12-21(22)27-23(24(28)30)25(31)32/h5-6,12-13,18-20H,2-4,7-11,14-17H2,1H3,(H,31,32)/t18-,19+,20+
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8.60n/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))
BDBM133997
PNG
(US8846929, 87 | US8846929, 98)
Show SMILES O=c1c(nc2ncccc2n1C1CCN(CC1)C1CCCCCCC1)N1CC2CNCC2C1
Show InChI InChI=1S/C26H38N6O/c33-26-25(31-17-19-15-27-16-20(19)18-31)29-24-23(9-6-12-28-24)32(26)22-10-13-30(14-11-22)21-7-4-2-1-3-5-8-21/h6,9,12,19-22,27H,1-5,7-8,10-11,13-18H2
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8.60n/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))
BDBM133955
PNG
(US8846929, 300)
Show SMILES OC(=O)[C@@H](NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C33H40N4O4/c38-31(35-29(33(40)41)22-12-5-4-6-13-22)30-32(39)37(28-19-10-9-18-27(28)34-30)26-20-24-16-11-17-25(21-26)36(24)23-14-7-2-1-3-8-15-23/h4-6,9-10,12-13,18-19,23-26,29H,1-3,7-8,11,14-17,20-21H2,(H,35,38)(H,40,41)/t24-,25+,26+,29-/m0/s1
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9n/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))
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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9n/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))
BDBM133957
PNG
(US8846929, 302)
Show SMILES CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CC(C)C)c1=O |r|
Show InChI InChI=1S/C25H35N3O3/c1-5-31-25(30)23-24(29)28(22-12-7-6-11-21(22)26-23)20-14-18-9-8-10-19(15-20)27(18)17(4)13-16(2)3/h6-7,11-12,16-20H,5,8-10,13-15H2,1-4H3/t17?,18-,19+,20+
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9.90n/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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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10n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM133961
PNG
(US8846929, 354)
Show SMILES CCOC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C\C=C2/CCC3CC2C3(C)C)c1=O |r|
Show InChI InChI=1S/C30H39N3O3/c1-4-36-29(35)27-28(34)33(26-11-6-5-10-25(26)31-27)23-17-21-8-7-9-22(18-23)32(21)15-14-19-12-13-20-16-24(19)30(20,2)3/h5-6,10-11,14,20-24H,4,7-9,12-13,15-18H2,1-3H3/b19-14+/t20?,21-,22+,23-,24?
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10.5n/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))
BDBM13583
PNG
(US8846929, 218)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCNC(CO)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
Show InChI InChI=1S/C28H41N5O4/c34-18-24(28(36)37)29-14-15-30-26-27(35)33(25-11-7-6-10-23(25)31-26)22-16-20-12-13-21(17-22)32(20)19-8-4-2-1-3-5-9-19/h6-7,10-11,19-22,24,29,34H,1-5,8-9,12-18H2,(H,30,31)(H,36,37)/t20-,21+,22+,24?
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10.6n/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))
BDBM14160
PNG
(US8846929, 178)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(N)(C3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
Show InChI InChI=1S/C28H39N5O3/c29-28(27(35)36)14-15-31(18-28)25-26(34)33(24-11-7-6-10-23(24)30-25)22-16-20-12-13-21(17-22)32(20)19-8-4-2-1-3-5-9-19/h6-7,10-11,19-22H,1-5,8-9,12-18,29H2,(H,35,36)/t20-,21+,22+,28?
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10.6n/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))
BDBM133919
PNG
(US8846929, 95)
Show SMILES ONC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C22H30N4O3/c27-21(24-29)20-22(28)26(19-11-7-6-10-18(19)23-20)17-12-14-25(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17,29H,1-5,8-9,12-15H2,(H,24,27)
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10.7n/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
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