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Patent code US8637502

Compile Data Set for Download or QSAR
Found 75 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))		BDBM116216
PNG
(US8637502, 56)
Show SMILES O=c1[nH]c2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H33N3O2/c28-23-24(29)27(22-14-7-6-13-21(22)25-23)20-15-18-11-8-12-19(16-20)26(18)17-9-4-2-1-3-5-10-17/h6-7,13-14,17-20H,1-5,8-12,15-16H2,(H,25,28)/t18-,19+,20+
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US Patent
 4 -44.6n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116220
PNG
(US8637502, 60)
Show SMILES O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
Show InChI InChI=1S/C23H27N3O2/c27-22-23(28)26(21-11-7-6-10-20(21)24-22)19-14-17-12-13-18(15-19)25(17)16-8-4-2-1-3-5-9-16/h4,6-8,10-13,16-19H,1-3,5,9,14-15H2,(H,24,27)/b8-4-/t16?,17-,18+,19+
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US Patent
 5.60 -43.8n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116200
PNG
(US8637502, 12)
Show SMILES O=c1[nH]c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c1=O
Show InChI InChI=1S/C25H23N3O2/c29-24-25(30)28(21-10-2-1-9-20(21)26-24)18-11-13-27(14-12-18)22-15-17-7-3-5-16-6-4-8-19(22)23(16)17/h1-10,18,22H,11-15H2,(H,26,29)
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 8.90 -42.7n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116198
PNG
(US8637502, 17)
Show SMILES Fc1ccc2[nH]c(=O)c(=O)n(C3CCN(CC3)C3CCCCCCC3)c2c1
Show InChI InChI=1S/C21H28FN3O2/c22-15-8-9-18-19(14-15)25(21(27)20(26)23-18)17-10-12-24(13-11-17)16-6-4-2-1-3-5-7-16/h8-9,14,16-17H,1-7,10-13H2,(H,23,26)
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 11.5 -42.1n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116217
PNG
(US8637502, 57)
Show SMILES O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H33N3O2/c28-23-24(29)27(22-14-7-6-13-21(22)25-23)20-15-18-11-8-12-19(16-20)26(18)17-9-4-2-1-3-5-10-17/h6-7,13-14,17-20H,1-5,8-12,15-16H2,(H,25,28)/t18-,19+,20-
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 13 -41.8n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116199
PNG
(US8637502, 9)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O |(2,-7.31,;.67,-6.54,;-.67,-7.31,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;.67,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;2,1.93,;2,.38,;.67,4.23,;-.67,5,;-2,4.23,;-3.33,5,;-3.33,6.54,;-2,7.31,;-.67,6.54,;.67,7.31,;2,6.54,;3.33,7.31,;2,5,;3.33,4.23,)|
Show InChI InChI=1S/C22H31N3O2/c1-15(2)16-7-9-17(10-8-16)24-13-11-18(12-14-24)25-20-6-4-3-5-19(20)23-21(26)22(25)27/h3-6,15-18H,7-14H2,1-2H3,(H,23,26)
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 22.8 -40.5n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116204
PNG
(US8637502, 16)
Show SMILES Fc1ccc2NC(=O)CC(=O)N(C3CCN(CC3)C3CCCCCCC3)c2c1
Show InChI InChI=1S/C22H30FN3O2/c23-16-8-9-19-20(14-16)26(22(28)15-21(27)24-19)18-10-12-25(13-11-18)17-6-4-2-1-3-5-7-17/h8-9,14,17-18H,1-7,10-13,15H2,(H,24,27)
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 32.6 -39.7n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116202
PNG
(US8637502, 5)
Show SMILES O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
Show InChI InChI=1S/C22H31N3O2/c26-21-16-22(27)25(20-11-7-6-10-19(20)23-21)18-12-14-24(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,23,26)
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 35.5 -39.5n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116218
PNG
(US8637502, 67)
Show SMILES O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2cccnc2N1
Show InChI InChI=1S/C21H30N4O2/c26-19-15-20(27)25(18-9-6-12-22-21(18)23-19)17-10-13-24(14-11-17)16-7-4-2-1-3-5-8-16/h6,9,12,16-17H,1-5,7-8,10-11,13-15H2,(H,22,23,26)
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 51 -38.7n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116210
PNG
(US8637502, 44)
Show SMILES O=c1n(CC#N)c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C23H30N4O2/c24-14-17-26-20-10-6-7-11-21(20)27(23(29)22(26)28)19-12-15-25(16-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-19H,1-5,8-9,12-13,15-17H2
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 52 -38.6n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116221
PNG
(US8637502, 61)
Show SMILES O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
Show InChI InChI=1S/C23H27N3O2/c27-22-23(28)26(21-11-7-6-10-20(21)24-22)19-14-17-12-13-18(15-19)25(17)16-8-4-2-1-3-5-9-16/h4,6-8,10-13,16-19H,1-3,5,9,14-15H2,(H,24,27)/b8-4-/t16?,17-,18+,19-
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 56 -38.5n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116197
PNG
(US8637502, 18)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCCCCCC3)c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C21H28FN3O2/c22-17-9-6-10-18-19(17)23-20(26)21(27)25(18)16-11-13-24(14-12-16)15-7-4-2-1-3-5-8-15/h6,9-10,15-16H,1-5,7-8,11-14H2,(H,23,26)
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US Patent
 63.2 -38.2n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116196
PNG
(US8637502, 6)
Show SMILES O=c1[nH]c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C21H29N3O2/c25-20-21(26)24(19-11-7-6-10-18(19)22-20)17-12-14-23(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H,22,25)
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 65 -38.1n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116225
PNG
(US8637502, 87)
Show SMILES COC(=O)C1(CCCCCCC1)N1CCC(CC1)N1c2cc(F)ccc2NC(=O)CC1=O
Show InChI InChI=1S/C24H32FN3O4/c1-32-23(31)24(11-5-3-2-4-6-12-24)27-13-9-18(10-14-27)28-20-15-17(25)7-8-19(20)26-21(29)16-22(28)30/h7-8,15,18H,2-6,9-14,16H2,1H3,(H,26,29)
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 68 -38.0n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116212
PNG
(US8637502, 66)
Show SMILES O=c1[nH]c2ncccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C20H28N4O2/c25-19-20(26)24(17-9-6-12-21-18(17)22-19)16-10-13-23(14-11-16)15-7-4-2-1-3-5-8-15/h6,9,12,15-16H,1-5,7-8,10-11,13-14H2,(H,21,22,25)
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 89 -37.4n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116219
PNG
(US8637502, 86)
Show SMILES OC(=O)c1ccc2NC(=O)CC(=O)N(C3CCN(CC3)C3CCCCCCC3)c2c1
Show InChI InChI=1S/C23H31N3O4/c27-21-15-22(28)26(20-14-16(23(29)30)8-9-19(20)24-21)18-10-12-25(13-11-18)17-6-4-2-1-3-5-7-17/h8-9,14,17-18H,1-7,10-13,15H2,(H,24,27)(H,29,30)
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>106>-37.0n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116220
PNG
(US8637502, 60)
Show SMILES O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
Show InChI InChI=1S/C23H27N3O2/c27-22-23(28)26(21-11-7-6-10-20(21)24-22)19-14-17-12-13-18(15-19)25(17)16-8-4-2-1-3-5-9-16/h4,6-8,10-13,16-19H,1-3,5,9,14-15H2,(H,24,27)/b8-4-/t16?,17-,18+,19+
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 119 -36.7n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116196
PNG
(US8637502, 6)
Show SMILES O=c1[nH]c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C21H29N3O2/c25-20-21(26)24(19-11-7-6-10-18(19)22-20)17-12-14-23(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H,22,25)
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 167 -36.0n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116217
PNG
(US8637502, 57)
Show SMILES O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H33N3O2/c28-23-24(29)27(22-14-7-6-13-21(22)25-23)20-15-18-11-8-12-19(16-20)26(18)17-9-4-2-1-3-5-10-17/h6-7,13-14,17-20H,1-5,8-12,15-16H2,(H,25,28)/t18-,19+,20-
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 170 -35.9n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116222
PNG
(US8637502, 58)
Show SMILES O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1 |r|
Show InChI InChI=1S/C25H35N3O2/c29-24-17-25(30)28(23-14-7-6-13-22(23)26-24)21-15-19-11-8-12-20(16-21)27(19)18-9-4-2-1-3-5-10-18/h6-7,13-14,18-21H,1-5,8-12,15-17H2,(H,26,29)/t19-,20+,21+
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 173 -35.9n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116203
PNG
(US8637502, 20)
Show SMILES Fc1cccc2N(C3CCN(CC3)C3CCCCCCC3)C(=O)CC(=O)Nc12
Show InChI InChI=1S/C22H30FN3O2/c23-18-9-6-10-19-22(18)24-20(27)15-21(28)26(19)17-11-13-25(14-12-17)16-7-4-2-1-3-5-8-16/h6,9-10,16-17H,1-5,7-8,11-15H2,(H,24,27)
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 229 -35.2n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116209
PNG
(US8637502, 43)
Show SMILES CCn1c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c(=O)c1=O
Show InChI InChI=1S/C23H33N3O2/c1-2-25-20-12-8-9-13-21(20)26(23(28)22(25)27)19-14-16-24(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-19H,2-7,10-11,14-17H2,1H3
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 291 -34.7n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116202
PNG
(US8637502, 5)
Show SMILES O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
Show InChI InChI=1S/C22H31N3O2/c26-21-16-22(27)25(20-11-7-6-10-19(20)23-21)18-12-14-24(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,23,26)
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 355 -34.2n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116200
PNG
(US8637502, 12)
Show SMILES O=c1[nH]c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c1=O
Show InChI InChI=1S/C25H23N3O2/c29-24-25(30)28(21-10-2-1-9-20(21)26-24)18-11-13-27(14-12-18)22-15-17-7-3-5-16-6-4-8-19(22)23(16)17/h1-10,18,22H,11-15H2,(H,26,29)
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 439 -33.7n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116201
PNG
(US8637502, 24)
Show SMILES NC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c(=O)c1=O
Show InChI InChI=1S/C27H26N4O3/c28-24(32)16-30-21-9-1-2-10-22(21)31(27(34)26(30)33)19-11-13-29(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23H,11-16H2,(H2,28,32)
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 453 -33.7n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116216
PNG
(US8637502, 56)
Show SMILES O=c1[nH]c2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H33N3O2/c28-23-24(29)27(22-14-7-6-13-21(22)25-23)20-15-18-11-8-12-19(16-20)26(18)17-9-4-2-1-3-5-10-17/h6-7,13-14,17-20H,1-5,8-12,15-16H2,(H,25,28)/t18-,19+,20+
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 529 -35.8n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116213
PNG
(US8637502, 47)
Show SMILES O=c1[nH]c2ccc(cc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)N1CCOCC1
Show InChI InChI=1S/C25H36N4O3/c30-24-25(31)29(20-10-12-27(13-11-20)19-6-4-2-1-3-5-7-19)23-18-21(8-9-22(23)26-24)28-14-16-32-17-15-28/h8-9,18-20H,1-7,10-17H2,(H,26,30)
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 559 -33.2n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116213
PNG
(US8637502, 47)
Show SMILES O=c1[nH]c2ccc(cc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)N1CCOCC1
Show InChI InChI=1S/C25H36N4O3/c30-24-25(31)29(20-10-12-27(13-11-20)19-6-4-2-1-3-5-7-19)23-18-21(8-9-22(23)26-24)28-14-16-32-17-15-28/h8-9,18-20H,1-7,10-17H2,(H,26,30)
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 584 -33.1n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116206
PNG
(US8637502, 10)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2NC(=O)CC1=O |(2.14,-8.13,;.8,-7.36,;-.53,-8.13,;.8,-5.82,;-.53,-5.05,;-.53,-3.51,;.8,-2.74,;2.14,-3.51,;2.14,-5.05,;.8,-1.2,;-.53,-.43,;-.53,1.11,;.8,1.88,;2.14,1.11,;2.14,-.43,;.8,3.42,;-.58,4.09,;-1.71,3.04,;-3.18,3.5,;-3.52,5,;-2.39,6.05,;-.92,5.59,;.04,6.8,;1.58,6.8,;2.35,8.13,;2.54,5.59,;2.19,4.09,;3.52,3.32,)|
Show InChI InChI=1S/C23H33N3O2/c1-16(2)17-7-9-18(10-8-17)25-13-11-19(12-14-25)26-21-6-4-3-5-20(21)24-22(27)15-23(26)28/h3-6,16-19H,7-15H2,1-2H3,(H,24,27)
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 610 -33.0n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116205
PNG
(US8637502, 7)
Show SMILES CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(CC2)C2CCCCCCC2)C1=O
Show InChI InChI=1S/C26H39N3O2/c1-3-26(4-2)24(30)27-22-14-10-11-15-23(22)29(25(26)31)21-16-18-28(19-17-21)20-12-8-6-5-7-9-13-20/h10-11,14-15,20-21H,3-9,12-13,16-19H2,1-2H3,(H,27,30)
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 620 -32.9n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116221
PNG
(US8637502, 61)
Show SMILES O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
Show InChI InChI=1S/C23H27N3O2/c27-22-23(28)26(21-11-7-6-10-20(21)24-22)19-14-17-12-13-18(15-19)25(17)16-8-4-2-1-3-5-9-16/h4,6-8,10-13,16-19H,1-3,5,9,14-15H2,(H,24,27)/b8-4-/t16?,17-,18+,19-
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 682 -32.7n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116217
PNG
(US8637502, 57)
Show SMILES O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H33N3O2/c28-23-24(29)27(22-14-7-6-13-21(22)25-23)20-15-18-11-8-12-19(16-20)26(18)17-9-4-2-1-3-5-10-17/h6-7,13-14,17-20H,1-5,8-12,15-16H2,(H,25,28)/t18-,19+,20-
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 769 -34.9n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116199
PNG
(US8637502, 9)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O |(2,-7.31,;.67,-6.54,;-.67,-7.31,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;.67,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;2,1.93,;2,.38,;.67,4.23,;-.67,5,;-2,4.23,;-3.33,5,;-3.33,6.54,;-2,7.31,;-.67,6.54,;.67,7.31,;2,6.54,;3.33,7.31,;2,5,;3.33,4.23,)|
Show InChI InChI=1S/C22H31N3O2/c1-15(2)16-7-9-17(10-8-16)24-13-11-18(12-14-24)25-20-6-4-3-5-19(20)23-21(26)22(25)27/h3-6,15-18H,7-14H2,1-2H3,(H,23,26)
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 825 -34.7n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116199
PNG
(US8637502, 9)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O |(2,-7.31,;.67,-6.54,;-.67,-7.31,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;.67,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;2,1.93,;2,.38,;.67,4.23,;-.67,5,;-2,4.23,;-3.33,5,;-3.33,6.54,;-2,7.31,;-.67,6.54,;.67,7.31,;2,6.54,;3.33,7.31,;2,5,;3.33,4.23,)|
Show InChI InChI=1S/C22H31N3O2/c1-15(2)16-7-9-17(10-8-16)24-13-11-18(12-14-24)25-20-6-4-3-5-19(20)23-21(26)22(25)27/h3-6,15-18H,7-14H2,1-2H3,(H,23,26)
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 880 -32.1n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116200
PNG
(US8637502, 12)
Show SMILES O=c1[nH]c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c1=O
Show InChI InChI=1S/C25H23N3O2/c29-24-25(30)28(21-10-2-1-9-20(21)26-24)18-11-13-27(14-12-18)22-15-17-7-3-5-16-6-4-8-19(22)23(16)17/h1-10,18,22H,11-15H2,(H,26,29)
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 1.30E+3 -33.6n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116212
PNG
(US8637502, 66)
Show SMILES O=c1[nH]c2ncccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C20H28N4O2/c25-19-20(26)24(17-9-6-12-21-18(17)22-19)16-10-13-23(14-11-16)15-7-4-2-1-3-5-8-15/h6,9,12,15-16H,1-5,7-8,10-11,13-14H2,(H,21,22,25)
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 1.32E+3 -31.2n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116220
PNG
(US8637502, 60)
Show SMILES O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
Show InChI InChI=1S/C23H27N3O2/c27-22-23(28)26(21-11-7-6-10-20(21)24-22)19-14-17-12-13-18(15-19)25(17)16-8-4-2-1-3-5-9-16/h4,6-8,10-13,16-19H,1-3,5,9,14-15H2,(H,24,27)/b8-4-/t16?,17-,18+,19+
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US Patent
 1.38E+3 -33.4n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116211
PNG
(US8637502, 29)
Show SMILES CN1c2ccccc2N(C2CCN(CC2)C2CCCCCCC2)C(=O)CC1=O
Show InChI InChI=1S/C23H33N3O2/c1-24-20-11-7-8-12-21(20)26(23(28)17-22(24)27)19-13-15-25(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-17H2,1H3
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 1.53E+3 -30.9n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116207
PNG
(US8637502, 11)
Show SMILES CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |(3.97,3.7,;3.57,5.19,;2.09,5.59,;3.57,5.99,;3.97,7.48,;1.13,6.8,;1.9,8.13,;-.41,6.8,;-1.37,5.59,;-2.84,6.05,;-3.97,5,;-3.63,3.5,;-2.16,3.04,;-1.03,4.09,;.35,3.42,;.35,1.88,;-.98,1.11,;-.98,-.43,;.35,-1.2,;1.69,-.43,;1.69,1.11,;.35,-2.74,;-.98,-3.51,;-.98,-5.05,;.35,-5.82,;1.69,-5.05,;1.69,-3.51,;.35,-7.36,;1.69,-8.13,;-.98,-8.13,;1.74,4.09,;3.07,3.32,)|
Show InChI InChI=1S/C27H41N3O2/c1-5-27(6-2)25(31)28-23-9-7-8-10-24(23)30(26(27)32)22-15-17-29(18-16-22)21-13-11-20(12-14-21)19(3)4/h7-10,19-22H,5-6,11-18H2,1-4H3,(H,28,31)
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 1.55E+3 -30.8n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116214
PNG
(US8637502, 78)
Show SMILES O=C(N1CCCCC1)C1=C(CCN(C1)C1CCCCCCC1)n1c2ccccc2[nH]c(=O)c1=O |t:9|
Show InChI InChI=1S/C27H36N4O3/c32-25-27(34)31(24-14-8-7-13-22(24)28-25)23-15-18-30(20-11-5-2-1-3-6-12-20)19-21(23)26(33)29-16-9-4-10-17-29/h7-8,13-14,20H,1-6,9-12,15-19H2,(H,28,32)
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 1.76E+3 -30.5n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116226
PNG
(US8637502, 80)
Show SMILES O=C(NCc1ccccc1)C1=C(CCN(C1)C1CCCCCCC1)n1c2ccccc2[nH]c(=O)c1=O |t:11|
Show InChI InChI=1S/C29H34N4O3/c34-27(30-19-21-11-5-4-6-12-21)23-20-32(22-13-7-2-1-3-8-14-22)18-17-25(23)33-26-16-10-9-15-24(26)31-28(35)29(33)36/h4-6,9-12,15-16,22H,1-3,7-8,13-14,17-20H2,(H,30,34)(H,31,35)
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 1.78E+3 -30.5n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116215
PNG
(US8637502, 79)
Show SMILES O=C(N1CCOCC1)C1=C(CCN(C1)C1CCCCCCC1)n1c2ccccc2[nH]c(=O)c1=O |t:9|
Show InChI InChI=1S/C26H34N4O4/c31-24-26(33)30(23-11-7-6-10-21(23)27-24)22-12-13-29(19-8-4-2-1-3-5-9-19)18-20(22)25(32)28-14-16-34-17-15-28/h6-7,10-11,19H,1-5,8-9,12-18H2,(H,27,31)
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 1.97E+3 -30.3n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116196
PNG
(US8637502, 6)
Show SMILES O=c1[nH]c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C21H29N3O2/c25-20-21(26)24(19-11-7-6-10-18(19)22-20)17-12-14-23(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H,22,25)
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 2.20E+3 -32.3n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116198
PNG
(US8637502, 17)
Show SMILES Fc1ccc2[nH]c(=O)c(=O)n(C3CCN(CC3)C3CCCCCCC3)c2c1
Show InChI InChI=1S/C21H28FN3O2/c22-15-8-9-18-19(14-15)25(21(27)20(26)23-18)17-10-12-24(13-11-17)16-6-4-2-1-3-5-7-16/h8-9,14,16-17H,1-7,10-13H2,(H,23,26)
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 2.50E+3 -32.0n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116196
PNG
(US8637502, 6)
Show SMILES O=c1[nH]c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C21H29N3O2/c25-20-21(26)24(19-11-7-6-10-18(19)22-20)17-12-14-23(15-13-17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-17H,1-5,8-9,12-15H2,(H,22,25)
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 2.90E+3 -31.6n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116206
PNG
(US8637502, 10)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2NC(=O)CC1=O |(2.14,-8.13,;.8,-7.36,;-.53,-8.13,;.8,-5.82,;-.53,-5.05,;-.53,-3.51,;.8,-2.74,;2.14,-3.51,;2.14,-5.05,;.8,-1.2,;-.53,-.43,;-.53,1.11,;.8,1.88,;2.14,1.11,;2.14,-.43,;.8,3.42,;-.58,4.09,;-1.71,3.04,;-3.18,3.5,;-3.52,5,;-2.39,6.05,;-.92,5.59,;.04,6.8,;1.58,6.8,;2.35,8.13,;2.54,5.59,;2.19,4.09,;3.52,3.32,)|
Show InChI InChI=1S/C23H33N3O2/c1-16(2)17-7-9-18(10-8-17)25-13-11-19(12-14-25)26-21-6-4-3-5-20(21)24-22(27)15-23(26)28/h3-6,16-19H,7-15H2,1-2H3,(H,24,27)
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 2.95E+3 -31.6n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116201
PNG
(US8637502, 24)
Show SMILES NC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c(=O)c1=O
Show InChI InChI=1S/C27H26N4O3/c28-24(32)16-30-21-9-1-2-10-22(21)31(27(34)26(30)33)19-11-13-29(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23H,11-16H2,(H2,28,32)
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 3.30E+3 -31.3n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116204
PNG
(US8637502, 16)
Show SMILES Fc1ccc2NC(=O)CC(=O)N(C3CCN(CC3)C3CCCCCCC3)c2c1
Show InChI InChI=1S/C22H30FN3O2/c23-16-8-9-19-20(14-16)26(22(28)15-21(27)24-19)18-10-12-25(13-11-18)17-6-4-2-1-3-5-7-17/h8-9,14,17-18H,1-7,10-13,15H2,(H,24,27)
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 3.80E+3 -30.9n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116200
PNG
(US8637502, 12)
Show SMILES O=c1[nH]c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c1=O
Show InChI InChI=1S/C25H23N3O2/c29-24-25(30)28(21-10-2-1-9-20(21)26-24)18-11-13-27(14-12-18)22-15-17-7-3-5-16-6-4-8-19(22)23(16)17/h1-10,18,22H,11-15H2,(H,26,29)
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 4.05E+3 -30.8n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116210
PNG
(US8637502, 44)
Show SMILES O=c1n(CC#N)c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C23H30N4O2/c24-14-17-26-20-10-6-7-11-21(20)27(23(29)22(26)28)19-12-15-25(16-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-19H,1-5,8-9,12-13,15-17H2
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 4.23E+3 -28.5n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116207
PNG
(US8637502, 11)
Show SMILES CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |(3.97,3.7,;3.57,5.19,;2.09,5.59,;3.57,5.99,;3.97,7.48,;1.13,6.8,;1.9,8.13,;-.41,6.8,;-1.37,5.59,;-2.84,6.05,;-3.97,5,;-3.63,3.5,;-2.16,3.04,;-1.03,4.09,;.35,3.42,;.35,1.88,;-.98,1.11,;-.98,-.43,;.35,-1.2,;1.69,-.43,;1.69,1.11,;.35,-2.74,;-.98,-3.51,;-.98,-5.05,;.35,-5.82,;1.69,-5.05,;1.69,-3.51,;.35,-7.36,;1.69,-8.13,;-.98,-8.13,;1.74,4.09,;3.07,3.32,)|
Show InChI InChI=1S/C27H41N3O2/c1-5-27(6-2)25(31)28-23-9-7-8-10-24(23)30(26(27)32)22-15-17-29(18-16-22)21-13-11-20(12-14-21)19(3)4/h7-10,19-22H,5-6,11-18H2,1-4H3,(H,28,31)
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 5.00E+3 -30.3n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116201
PNG
(US8637502, 24)
Show SMILES NC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c(=O)c1=O
Show InChI InChI=1S/C27H26N4O3/c28-24(32)16-30-21-9-1-2-10-22(21)31(27(34)26(30)33)19-11-13-29(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23H,11-16H2,(H2,28,32)
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 5.45E+3 -30.0n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116224
PNG
(US8637502, 83)
Show SMILES COc1ccc2NC(=O)CC(=O)N(C3CCN(CC3)C3CCCCC\C=C/3)c2n1 |c:26|
Show InChI InChI=1S/C22H30N4O3/c1-29-20-10-9-18-22(24-20)26(21(28)15-19(27)23-18)17-11-13-25(14-12-17)16-7-5-3-2-4-6-8-16/h5,7,9-10,16-17H,2-4,6,8,11-15H2,1H3,(H,23,27)/b7-5-
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 6.01E+3 -27.7n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116205
PNG
(US8637502, 7)
Show SMILES CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(CC2)C2CCCCCCC2)C1=O
Show InChI InChI=1S/C26H39N3O2/c1-3-26(4-2)24(30)27-22-14-10-11-15-23(22)29(25(26)31)21-16-18-28(19-17-21)20-12-8-6-5-7-9-13-20/h10-11,14-15,20-21H,3-9,12-13,16-19H2,1-2H3,(H,27,30)
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US Patent
 6.20E+3 -29.7n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM116201
PNG
(US8637502, 24)
Show SMILES NC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c(=O)c1=O
Show InChI InChI=1S/C27H26N4O3/c28-24(32)16-30-21-9-1-2-10-22(21)31(27(34)26(30)33)19-11-13-29(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)25(17)18/h1-10,19,23H,11-16H2,(H2,28,32)
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 6.95E+3 -27.4n/an/an/an/an/a7.44



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

US Patent


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

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116210
PNG
(US8637502, 44)
Show SMILES O=c1n(CC#N)c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C23H30N4O2/c24-14-17-26-20-10-6-7-11-21(20)27(23(29)22(26)28)19-12-15-25(16-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-19H,1-5,8-9,12-13,15-17H2
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 9.54E+3 -28.7n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116199
PNG
(US8637502, 9)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O |(2,-7.31,;.67,-6.54,;-.67,-7.31,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;.67,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;2,1.93,;2,.38,;.67,4.23,;-.67,5,;-2,4.23,;-3.33,5,;-3.33,6.54,;-2,7.31,;-.67,6.54,;.67,7.31,;2,6.54,;3.33,7.31,;2,5,;3.33,4.23,)|
Show InChI InChI=1S/C22H31N3O2/c1-15(2)16-7-9-17(10-8-16)24-13-11-18(12-14-24)25-20-6-4-3-5-19(20)23-21(26)22(25)27/h3-6,15-18H,7-14H2,1-2H3,(H,23,26)
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 9.60E+3 -28.6n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116225
PNG
(US8637502, 87)
Show SMILES COC(=O)C1(CCCCCCC1)N1CCC(CC1)N1c2cc(F)ccc2NC(=O)CC1=O
Show InChI InChI=1S/C24H32FN3O4/c1-32-23(31)24(11-5-3-2-4-6-12-24)27-13-9-18(10-14-27)28-20-15-17(25)7-8-19(20)26-21(29)16-22(28)30/h7-8,15,18H,2-6,9-14,16H2,1H3,(H,26,29)
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 1.17E+4 -28.2n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116222
PNG
(US8637502, 58)
Show SMILES O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1 |r|
Show InChI InChI=1S/C25H35N3O2/c29-24-17-25(30)28(23-14-7-6-13-22(23)26-24)21-15-19-11-8-12-20(16-21)27(19)18-9-4-2-1-3-5-10-18/h6-7,13-14,18-21H,1-5,8-12,15-17H2,(H,26,29)/t19-,20+,21+
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 1.19E+4 -28.1n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116218
PNG
(US8637502, 67)
Show SMILES O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2cccnc2N1
Show InChI InChI=1S/C21H30N4O2/c26-19-15-20(27)25(18-9-6-12-22-21(18)23-19)17-10-13-24(14-11-17)16-7-4-2-1-3-5-8-16/h6,9,12,16-17H,1-5,7-8,10-11,13-15H2,(H,22,23,26)
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 1.24E+4 -28.0n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116202
PNG
(US8637502, 5)
Show SMILES O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
Show InChI InChI=1S/C22H31N3O2/c26-21-16-22(27)25(20-11-7-6-10-19(20)23-21)18-12-14-24(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,23,26)
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 1.37E+4 -27.8n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116221
PNG
(US8637502, 61)
Show SMILES O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
Show InChI InChI=1S/C23H27N3O2/c27-22-23(28)26(21-11-7-6-10-20(21)24-22)19-14-17-12-13-18(15-19)25(17)16-8-4-2-1-3-5-9-16/h4,6-8,10-13,16-19H,1-3,5,9,14-15H2,(H,24,27)/b8-4-/t16?,17-,18+,19-
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 1.58E+4 -27.4n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116202
PNG
(US8637502, 5)
Show SMILES O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
Show InChI InChI=1S/C22H31N3O2/c26-21-16-22(27)25(20-11-7-6-10-19(20)23-21)18-12-14-24(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,23,26)
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 1.62E+4 -27.3n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116223
PNG
(US8637502, 81)
Show SMILES COc1ccc2N(C3CCN(CC3)C3CCCCC\C=C/3)C(=O)CC(=O)Nc2n1 |c:20|
Show InChI InChI=1S/C22H30N4O3/c1-29-20-10-9-18-22(24-20)23-19(27)15-21(28)26(18)17-11-13-25(14-12-17)16-7-5-3-2-4-6-8-16/h5,7,9-10,16-17H,2-4,6,8,11-15H2,1H3,(H,23,24,27)/b7-5-
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 1.65E+4 -25.4n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116212
PNG
(US8637502, 66)
Show SMILES O=c1[nH]c2ncccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C20H28N4O2/c25-19-20(26)24(17-9-6-12-21-18(17)22-19)16-10-13-23(14-11-16)15-7-4-2-1-3-5-8-15/h6,9,12,15-16H,1-5,7-8,10-11,13-14H2,(H,21,22,25)
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 1.74E+4 -27.2n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116216
PNG
(US8637502, 56)
Show SMILES O=c1[nH]c2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H33N3O2/c28-23-24(29)27(22-14-7-6-13-21(22)25-23)20-15-18-11-8-12-19(16-20)26(18)17-9-4-2-1-3-5-10-17/h6-7,13-14,17-20H,1-5,8-12,15-16H2,(H,25,28)/t18-,19+,20+
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 2.08E+4 -26.7n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116217
PNG
(US8637502, 57)
Show SMILES O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H33N3O2/c28-23-24(29)27(22-14-7-6-13-21(22)25-23)20-15-18-11-8-12-19(16-20)26(18)17-9-4-2-1-3-5-10-17/h6-7,13-14,17-20H,1-5,8-12,15-16H2,(H,25,28)/t18-,19+,20-
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 2.19E+4 -26.6n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116221
PNG
(US8637502, 61)
Show SMILES O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
Show InChI InChI=1S/C23H27N3O2/c27-22-23(28)26(21-11-7-6-10-20(21)24-22)19-14-17-12-13-18(15-19)25(17)16-8-4-2-1-3-5-9-16/h4,6-8,10-13,16-19H,1-3,5,9,14-15H2,(H,24,27)/b8-4-/t16?,17-,18+,19-
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 2.28E+4 -26.5n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116220
PNG
(US8637502, 60)
Show SMILES O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
Show InChI InChI=1S/C23H27N3O2/c27-22-23(28)26(21-11-7-6-10-20(21)24-22)19-14-17-12-13-18(15-19)25(17)16-8-4-2-1-3-5-9-16/h4,6-8,10-13,16-19H,1-3,5,9,14-15H2,(H,24,27)/b8-4-/t16?,17-,18+,19+
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 2.34E+4 -26.4n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM116213
PNG
(US8637502, 47)
Show SMILES O=c1[nH]c2ccc(cc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)N1CCOCC1
Show InChI InChI=1S/C25H36N4O3/c30-24-25(31)29(20-10-12-27(13-11-20)19-6-4-2-1-3-5-7-19)23-18-21(8-9-22(23)26-24)28-14-16-32-17-15-28/h8-9,18-20H,1-7,10-17H2,(H,26,30)
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 2.82E+4 -26.0n/an/an/an/an/a7.425



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

US Patent


Assay Description
μ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.2 nM[3H]-diprenorphi...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM116208
PNG
(US8637502, 85)
Show SMILES COC(=O)c1ccc2NC(=O)CC(=O)N(C3CCN(CC3)C3CCCCCCC3)c2c1
Show InChI InChI=1S/C24H33N3O4/c1-31-24(30)17-9-10-20-21(15-17)27(23(29)16-22(28)25-20)19-11-13-26(14-12-19)18-7-5-3-2-4-6-8-18/h9-10,15,18-19H,2-8,11-14,16H2,1H3,(H,25,28)
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 3.99E+4 -23.3n/an/an/an/an/a7.44



Purde 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 US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116213
PNG
(US8637502, 47)
Show SMILES O=c1[nH]c2ccc(cc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)N1CCOCC1
Show InChI InChI=1S/C25H36N4O3/c30-24-25(31)29(20-10-12-27(13-11-20)19-6-4-2-1-3-5-7-19)23-18-21(8-9-22(23)26-24)28-14-16-32-17-15-28/h8-9,18-20H,1-7,10-17H2,(H,26,30)
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US Patent
 5.21E+4 -24.4n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116212
PNG
(US8637502, 66)
Show SMILES O=c1[nH]c2ncccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C20H28N4O2/c25-19-20(26)24(17-9-6-12-21-18(17)22-19)16-10-13-23(14-11-16)15-7-4-2-1-3-5-8-15/h6,9,12,15-16H,1-5,7-8,10-11,13-14H2,(H,21,22,25)
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US Patent
 5.48E+4 -24.3n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116210
PNG
(US8637502, 44)
Show SMILES O=c1n(CC#N)c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C23H30N4O2/c24-14-17-26-20-10-6-7-11-21(20)27(23(29)22(26)28)19-12-15-25(16-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-19H,1-5,8-9,12-13,15-17H2
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US Patent
 6.57E+4 -23.9n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM116218
PNG
(US8637502, 67)
Show SMILES O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2cccnc2N1
Show InChI InChI=1S/C21H30N4O2/c26-19-15-20(27)25(18-9-6-12-22-21(18)23-19)17-10-13-24(14-11-17)16-7-4-2-1-3-5-8-16/h6,9,12,16-17H,1-5,7-8,10-11,13-15H2,(H,22,23,26)
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US Patent
 7.24E+4 -23.6n/an/an/an/an/a7.425



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

US Patent


Assay Description
δ-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg m...

US Patent US8637502 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M54
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%