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Compile Data Set for Download or QSAR

Found 265 hits of ph data with Target = 'Nociceptin receptor'   
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))		BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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 0.130 -55.9n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239934
PNG
(US9403767, 117)
Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(F)c1)c1ccccc1)c1ccccc1 |(-6.07,4.12,;-5.44,2.71,;-3.93,3.03,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-6.66,-3.09,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)|
Show InChI InChI=1S/C28H31FN2O/c1-30(2)27(23-12-6-4-7-13-23)17-19-28(20-18-27,24-14-8-5-9-15-24)31(3)26(32)22-11-10-16-25(29)21-22/h4-16,21H,17-20H2,1-3H3
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US Patent
 0.130n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM21844
PNG
(8-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-y...)
Show SMILES [H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m1/s1
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 0.390 -53.2n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239921
PNG
(US9403767, 99)
Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(c1)C(F)(F)F)c1ccccc1)c1ccccc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;.99,-4.26,;.99,-2.72,;3.05,-6.39,;3.15,-7.93,;4.59,-6.44,;5.4,-5.14,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;9.11,-9.27,;10.65,-9.32,;9.16,-7.73,;9.06,-10.81,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,)|
Show InChI InChI=1S/C29H31F3N2O/c1-33(2)27(23-12-6-4-7-13-23)17-19-28(20-18-27,24-14-8-5-9-15-24)34(3)26(35)22-11-10-16-25(21-22)29(30,31)32/h4-16,21H,17-20H2,1-3H3
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 0.540n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239925
PNG
(US9403767, 104 | US9403767, 105)
Show SMILES COc1ccc(cc1)C(=O)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(6.66,-13.19,;7.48,-11.88,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;4.59,-6.44,;5.4,-5.14,;3.05,-6.39,;3.15,-7.93,;2.32,-5.03,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;.99,-2.72,;.99,-4.26,;1.33,-.77,;-.18,-1.04,;1.86,.68,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,)|
Show InChI InChI=1S/C29H34N2O2/c1-30(2)28(24-11-7-5-8-12-24)19-21-29(22-20-28,25-13-9-6-10-14-25)31(3)27(32)23-15-17-26(33-4)18-16-23/h5-18H,19-22H2,1-4H3
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 0.650n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239911
PNG
(US9403767, 76 | US9403767, 77)
Show SMILES CN(CC1(C)CCC(CC1)(N(C)C)c1ccccc1)c1c[nH]c2ccccc12 |(2.68,2.55,;1.65,1.41,;.14,1.73,;-.33,3.19,;-1.28,1.98,;-1.51,4.18,;-1.24,5.7,;.2,6.23,;1.38,5.24,;1.11,3.72,;1.15,7.44,;2.68,7.22,;1.52,8.93,;-.27,7.69,;-1.78,8.01,;-2.26,9.48,;-1.23,10.62,;.28,10.3,;.76,8.83,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,)|
Show InChI InChI=1S/C25H33N3/c1-24(19-28(4)23-18-26-22-13-9-8-12-21(22)23)14-16-25(17-15-24,27(2)3)20-10-6-5-7-11-20/h5-13,18,26H,14-17,19H2,1-4H3
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 0.710n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239914
PNG
(US9403767, 85)
Show SMILES CN(C)C1(CCC(CC1)(N(C)Cc1cccnc1)c1ccccc1)c1ccccc1 |(-6.47,7.63,;-4.93,7.57,;-5.04,9.11,;-4.21,6.21,;-2.87,5.44,;-2.87,3.9,;-4.21,3.13,;-5.54,3.9,;-5.54,5.44,;-4.93,1.77,;-5.04,.24,;-6.47,1.72,;-7.19,.36,;-6.38,-.95,;-7.1,-2.31,;-8.64,-2.36,;-9.45,-1.05,;-8.73,.31,;-3.48,1.77,;-1.94,1.72,;-1.22,.36,;-2.04,-.95,;-3.58,-.89,;-4.3,.47,;-3.48,7.57,;-4.3,8.88,;-3.58,10.24,;-2.04,10.29,;-1.22,8.99,;-1.94,7.63,)|
Show InChI InChI=1S/C27H33N3/c1-29(2)26(24-12-6-4-7-13-24)16-18-27(19-17-26,25-14-8-5-9-15-25)30(3)22-23-11-10-20-28-21-23/h4-15,20-21H,16-19,22H2,1-3H3
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 0.810n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


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



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

US Patent


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

US Patent US8476271 (2013)


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


(Homo sapiens (Human))		BDBM239892
PNG
(US9403767, 50 | US9403767, 51)
Show SMILES CN(C)C1(CCC(CC1)(N(C)Cc1ccccc1)c1ccccc1)c1ccccc1 |(4.21,-3.03,;2.67,-3.08,;2.77,-1.54,;1.94,-4.44,;.61,-5.21,;.61,-6.75,;1.94,-7.52,;3.28,-6.75,;3.28,-5.21,;2.67,-8.88,;2.77,-10.42,;4.21,-8.93,;4.93,-10.29,;6.47,-10.35,;7.19,-11.71,;6.38,-13.01,;4.84,-12.96,;4.11,-11.6,;1.22,-8.88,;2.04,-10.19,;1.31,-11.55,;-.22,-11.6,;-1.04,-10.29,;-.32,-8.93,;1.22,-3.08,;-.32,-3.03,;-1.04,-1.67,;-.22,-.36,;1.31,-.41,;2.04,-1.77,)|
Show InChI InChI=1S/C28H34N2/c1-29(2)27(25-15-9-5-10-16-25)19-21-28(22-20-27,26-17-11-6-12-18-26)30(3)23-24-13-7-4-8-14-24/h4-18H,19-23H2,1-3H3
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 1.28n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239935
PNG
(US9403767, 119)
Show SMILES CN(C)C1(CCC(CC1)(N(C)Cc1cccc(F)c1)c1ccccc1)c1ccccc1 |(-4.11,3.48,;-5.44,2.71,;-6.07,4.12,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)|
Show InChI InChI=1S/C28H33FN2/c1-30(2)27(24-12-6-4-7-13-24)17-19-28(20-18-27,25-14-8-5-9-15-25)31(3)22-23-11-10-16-26(29)21-23/h4-16,21H,17-20,22H2,1-3H3
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 1.43n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239890
PNG
(US9403767, 48 | US9403767, 49)
Show SMILES CCCCN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(8,-1.35,;6.66,-2.12,;5.33,-1.35,;3.99,-2.12,;2.66,-1.35,;3.57,-.11,;1.33,-2.12,;-.21,-2.07,;-1.03,-3.38,;-.31,-4.74,;1.23,-4.79,;2.05,-3.48,;-.41,-6.27,;.86,-7.13,;-1.14,-7.63,;-1.64,-5.51,;-1.64,-7.05,;-2.97,-7.82,;-4.31,-7.05,;-4.31,-5.51,;-2.97,-4.74,;1.43,-.59,;.16,.27,;.27,1.81,;1.65,2.48,;2.93,1.62,;2.82,.09,)|
Show InChI InChI=1S/C25H36N2/c1-5-6-21-27(4)25(23-15-11-8-12-16-23)19-17-24(18-20-25,26(2)3)22-13-9-7-10-14-22/h7-16H,5-6,17-21H2,1-4H3
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 1.55n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239873
PNG
(US9403767, 29 | US9403767, 30)
Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)NCc1ccccc1)c1ccccc1)c1ccccc1 |(1.02,-11.24,;2.56,-11.19,;2.45,-12.73,;3.28,-9.83,;4.61,-9.06,;4.61,-7.52,;3.28,-6.75,;1.94,-7.52,;1.94,-9.06,;2.56,-5.39,;2.45,-3.85,;1.02,-5.34,;.2,-6.64,;.29,-3.98,;-1.25,-3.92,;-1.97,-2.56,;-3.51,-2.51,;-4.23,-1.15,;-3.42,.16,;-1.88,.1,;-1.15,-1.26,;4,-5.39,;3.18,-4.08,;3.91,-2.72,;5.45,-2.67,;6.26,-3.98,;5.54,-5.34,;4,-11.19,;5.54,-11.24,;6.26,-12.6,;5.45,-13.91,;3.91,-13.86,;3.18,-12.5,)|
Show InChI InChI=1S/C29H35N3O/c1-31(2)28(25-15-9-5-10-16-25)19-21-29(22-20-28,26-17-11-6-12-18-26)32(3)27(33)30-23-24-13-7-4-8-14-24/h4-18H,19-23H2,1-3H3,(H,30,33)
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US Patent
 1.60n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26906
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(ethylamino)eth...)
Show SMILES CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C30H34Cl2N4O/c1-2-33-18-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-19-34(20-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28,33H,2,16-22H2,1H3
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 2.10 -49.0n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26913
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(butylamino)eth...)
Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C32H38Cl2N4O/c1-2-3-19-35-20-23-37-24-38(25-11-5-4-6-12-25)32(31(37)39)17-21-36(22-18-32)30(26-13-7-9-15-28(26)33)27-14-8-10-16-29(27)34/h4-16,30,35H,2-3,17-24H2,1H3
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 2.15 -49.0n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26916
PNG
(8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[2-(pyrro...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C32H36Cl2N4O/c33-28-14-6-4-12-26(28)30(27-13-5-7-15-29(27)34)36-20-16-32(17-21-36)31(39)37(23-22-35-18-8-9-19-35)24-38(32)25-10-2-1-3-11-25/h1-7,10-15,30H,8-9,16-24H2
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 2.25 -48.9n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


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



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

US Patent


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

US Patent US8476271 (2013)


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


(Homo sapiens (Human))		BDBM239923
PNG
(US9403767, 101 | US9403767, 102)
Show SMILES CN(C)C1(CCC(CC1)(N(C)Cc1ccn(C)n1)c1ccccc1)c1ccccc1 |(-.13,-15.77,;.49,-14.36,;1.83,-15.13,;-.41,-13.12,;-.52,-11.58,;-1.91,-10.91,;-3.18,-11.77,;-3.07,-13.3,;-1.69,-13.98,;-4.09,-10.52,;-5.42,-9.75,;-3.46,-9.11,;-4.37,-7.87,;-5.91,-7.87,;-6.38,-6.4,;-5.14,-5.5,;-5.14,-3.96,;-3.89,-6.4,;-4.72,-11.82,;-5.44,-13.18,;-6.98,-13.23,;-7.8,-11.93,;-7.08,-10.57,;-5.54,-10.52,;1.13,-13.06,;1.85,-11.7,;3.39,-11.65,;4.2,-12.96,;3.48,-14.32,;1.94,-14.37,)|
Show InChI InChI=1S/C26H34N4/c1-28(2)25(22-11-7-5-8-12-22)16-18-26(19-17-25,23-13-9-6-10-14-23)29(3)21-24-15-20-30(4)27-24/h5-15,20H,16-19,21H2,1-4H3
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US Patent
 2.45n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26907
PNG
(8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[2-(propa...)
Show SMILES CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C31H36Cl2N4O/c1-23(2)34-18-21-36-22-37(24-10-4-3-5-11-24)31(30(36)38)16-19-35(20-17-31)29(25-12-6-8-14-27(25)32)26-13-7-9-15-28(26)33/h3-15,23,29,34H,16-22H2,1-2H3
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 2.55 -48.6n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239865
PNG
(US9403767, 18)
Show SMILES CN(C)C1(CCC(C)(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 |(4.12,-11.51,;4.65,-10.06,;6.16,-9.79,;3.66,-8.88,;4.99,-8.11,;4.99,-6.57,;3.66,-5.8,;2.67,-4.62,;4.65,-4.62,;4.12,-3.17,;5.11,-1.99,;3.93,-1,;6.29,-2.98,;6.1,-.81,;5.57,.63,;6.56,1.81,;8.08,1.55,;9.07,2.73,;8.61,.1,;7.62,-1.08,;2.32,-6.57,;2.32,-8.11,;2.67,-10.06,;3.19,-11.51,;2.2,-12.69,;.69,-12.42,;.16,-10.97,;1.15,-9.79,)|
Show InChI InChI=1S/C22H29ClN2O2S/c1-21(17-24-28(26,27)20-11-9-19(23)10-12-20)13-15-22(16-14-21,25(2)3)18-7-5-4-6-8-18/h4-12,24H,13-17H2,1-3H3
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US Patent
 2.70n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26914
PNG
(8-[bis(2-chlorophenyl)methyl]-3-{2-[(2-methylpropy...)
Show SMILES CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C32H38Cl2N4O/c1-24(2)22-35-18-21-37-23-38(25-10-4-3-5-11-25)32(31(37)39)16-19-36(20-17-32)30(26-12-6-8-14-28(26)33)27-13-7-9-15-29(27)34/h3-15,24,30,35H,16-23H2,1-2H3
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 2.75 -48.4n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM21845
PNG
(2-methyl-1'-[4-(propan-2-yl)cyclohexyl]-2,3-dihydr...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
Show InChI InChI=1S/C23H34N2O/c1-17(2)18-8-10-20(11-9-18)25-14-12-23(13-15-25)21-7-5-4-6-19(21)16-24(3)22(23)26/h4-7,17-18,20H,8-16H2,1-3H3
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 3.10 -48.1n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26917
PNG
(8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[3-(pyrro...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C33H38Cl2N4O/c34-29-15-6-4-13-27(29)31(28-14-5-7-16-30(28)35)37-23-17-33(18-24-37)32(40)38(22-10-21-36-19-8-9-20-36)25-39(33)26-11-2-1-3-12-26/h1-7,11-16,31H,8-10,17-25H2
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 3.20 -48.0n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26910
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)...)
Show SMILES CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C30H34Cl2N4O/c1-33(2)20-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-18-34(19-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28H,16-22H2,1-2H3
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 3.5 -47.8n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26911
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclopropylami...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C31H34Cl2N4O/c32-27-12-6-4-10-25(27)29(26-11-5-7-13-28(26)33)35-19-16-31(17-20-35)30(38)36(21-18-34-23-14-15-23)22-37(31)24-8-2-1-3-9-24/h1-13,23,29,34H,14-22H2
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 3.70 -47.6n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26915
PNG
(8-[bis(2-chlorophenyl)methyl]-3-{2-[(cyclohexylmet...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNCC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C35H42Cl2N4O/c36-31-17-9-7-15-29(31)33(30-16-8-10-18-32(30)37)39-22-19-35(20-23-39)34(42)40(26-41(35)28-13-5-2-6-14-28)24-21-38-25-27-11-3-1-4-12-27/h2,5-10,13-18,27,33,38H,1,3-4,11-12,19-26H2
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 3.80 -47.6n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
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))		BDBM26905
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(methylamino)et...)
Show SMILES CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C29H32Cl2N4O/c1-32-17-20-34-21-35(22-9-3-2-4-10-22)29(28(34)36)15-18-33(19-16-29)27(23-11-5-7-13-25(23)30)24-12-6-8-14-26(24)31/h2-14,27,32H,15-21H2,1H3
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 4.05 -47.4n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM21857
PNG
(1'-[4-(propan-2-yl)cyclohexyl]-2,3-dihydro-1H-spir...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
Show InChI InChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)24-13-11-22(12-14-24)20-6-4-3-5-18(20)15-23-21(22)25/h3-6,16-17,19H,7-15H2,1-2H3,(H,23,25)
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 4.70 -47.1n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239869
PNG
(US9403767, 24 | US9403767, 27)
Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)\C=C\c1ccccc1)c1ccccc1)c1ccccc1 |(-5.43,5.61,;-6.77,4.84,;-7.39,6.24,;-6.77,3.3,;-7.58,1.99,;-6.86,.63,;-5.32,.58,;-4.5,1.88,;-5.23,3.24,;-5.32,-.96,;-4.69,-2.37,;-6.65,-1.73,;-7.99,-.96,;-6.65,-3.27,;-7.99,-4.04,;-7.99,-5.58,;-6.65,-6.35,;-6.65,-7.89,;-7.99,-8.66,;-9.32,-7.89,;-9.32,-6.35,;-4.04,-.29,;-2.66,.39,;-1.38,-.47,;-1.49,-2.01,;-2.87,-2.68,;-4.15,-1.82,;-8.04,4.16,;-9.43,3.48,;-10.7,4.34,;-10.6,5.88,;-9.21,6.55,;-7.94,5.69,)|
Show InChI InChI=1S/C30H34N2O/c1-31(2)29(26-15-9-5-10-16-26)21-23-30(24-22-29,27-17-11-6-12-18-27)32(3)28(33)20-19-25-13-7-4-8-14-25/h4-20H,21-24H2,1-3H3/b20-19+
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US Patent
 4.90n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26909
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclohexylamin...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C34H40Cl2N4O/c35-30-17-9-7-15-28(30)32(29-16-8-10-18-31(29)36)38-22-19-34(20-23-38)33(41)39(24-21-37-26-11-3-1-4-12-26)25-40(34)27-13-5-2-6-14-27/h2,5-10,13-18,26,32,37H,1,3-4,11-12,19-25H2
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 5 -46.9n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239917
PNG
(US9403767, 91)
Show SMILES CNc1nc(Oc2ccc(OC)cc2)nc(n1)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(2.16,-6.79,;1.44,-8.15,;2.26,-9.46,;1.53,-10.81,;2.35,-12.12,;1.63,-13.48,;.09,-13.53,;-.64,-14.89,;-2.17,-14.95,;-2.99,-13.64,;-4.53,-13.7,;-5.25,-15.06,;-2.27,-12.28,;-.73,-12.23,;3.89,-12.07,;4.61,-10.71,;3.8,-9.4,;6.15,-10.65,;6.04,-12.19,;6.87,-9.29,;8.21,-8.52,;8.21,-6.98,;6.87,-6.21,;5.54,-6.98,;5.54,-8.52,;6.15,-4.85,;4.61,-4.8,;6.04,-3.32,;7.6,-4.85,;6.78,-3.55,;7.5,-2.19,;9.04,-2.13,;9.86,-3.44,;9.14,-4.8,;7.6,-10.65,;9.14,-10.71,;9.86,-12.07,;9.04,-13.37,;7.5,-13.32,;6.78,-11.96,)|
Show InChI InChI=1S/C32H38N6O2/c1-33-28-34-29(36-30(35-28)40-27-18-16-26(39-5)17-19-27)38(4)32(25-14-10-7-11-15-25)22-20-31(21-23-32,37(2)3)24-12-8-6-9-13-24/h6-19H,20-23H2,1-5H3,(H,33,34,35,36)
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US Patent
 5.35n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
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))		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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 5.70 -47.1n/an/an/an/an/a7.425



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

US Patent


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

US Patent US8476271 (2013)


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


(Homo sapiens (Human))		BDBM239861
PNG
(US9403767, 11)
Show SMILES CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;.99,-4.26,;.99,-2.72,;3.05,-6.39,;3.15,-7.93,;4.59,-6.44,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,)|
Show InChI InChI=1S/C22H30N2/c1-23(2)21(19-11-7-5-8-12-19)15-17-22(18-16-21,24(3)4)20-13-9-6-10-14-20/h5-14H,15-18H2,1-4H3
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 6n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM21851
PNG
(2-benzyl-1'-[4-(propan-2-yl)cyclohexyl]-2,3-dihydr...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
Show InChI InChI=1S/C29H38N2O/c1-22(2)24-12-14-26(15-13-24)30-18-16-29(17-19-30)27-11-7-6-10-25(27)21-31(28(29)32)20-23-8-4-3-5-9-23/h3-11,22,24,26H,12-21H2,1-2H3
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 6.60 -46.2n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239938
PNG
(US9403767, 122)
Show SMILES CNC(=O)CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(-6.72,-6.08,;-5.38,-5.31,;-4.05,-6.08,;-4.05,-7.62,;-2.72,-5.31,;-1.38,-6.08,;-2.29,-7.32,;-.05,-5.31,;-.77,-3.95,;.04,-2.64,;1.58,-2.69,;2.31,-4.05,;1.49,-5.36,;2.92,-1.92,;4.25,-2.69,;3.82,-.68,;1.69,-1.16,;.41,-.3,;.52,1.24,;1.91,1.91,;3.18,1.05,;3.07,-.48,;-.16,-6.84,;1.12,-7.7,;1.01,-9.24,;-.37,-9.92,;-1.65,-9.05,;-1.54,-7.52,)|
Show InChI InChI=1S/C24H33N3O/c1-25-22(28)19-27(4)24(21-13-9-6-10-14-21)17-15-23(16-18-24,26(2)3)20-11-7-5-8-12-20/h5-14H,15-19H2,1-4H3,(H,25,28)
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US Patent
 7.40n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26908
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclopentylami...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C33H38Cl2N4O/c34-29-16-8-6-14-27(29)31(28-15-7-9-17-30(28)35)37-21-18-33(19-22-37)32(40)38(23-20-36-25-10-4-5-11-25)24-39(33)26-12-2-1-3-13-26/h1-3,6-9,12-17,25,31,36H,4-5,10-11,18-24H2
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 8.65 -45.6n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
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))		BDBM21847
PNG
(7-fluoro-2-methyl-1'-[4-(propan-2-yl)cyclohexyl]-2...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
Show InChI InChI=1S/C23H33FN2O/c1-16(2)17-4-7-20(8-5-17)26-12-10-23(11-13-26)21-9-6-19(24)14-18(21)15-25(3)22(23)27/h6,9,14,16-17,20H,4-5,7-8,10-13,15H2,1-3H3
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 8.90 -45.5n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


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



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

US Patent


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

US Patent US8476271 (2013)


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


(Homo sapiens (Human))		BDBM239894
PNG
(US9403767, 52)
Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |(-13.9,3.85,;-13.9,2.31,;-15.43,2.47,;-12.56,1.54,;-11.84,.18,;-10.3,.13,;-9.49,1.43,;-10.21,2.79,;-11.75,2.85,;-8.15,.66,;-6.62,.5,;-8.15,-.88,;-9.49,-1.65,;-6.82,-1.65,;-6.82,-3.19,;-5.48,-3.96,;-5.48,-5.5,;-6.82,-6.27,;-8.15,-5.5,;-8.15,-3.96,;-5.48,-.88,;-5.48,.66,;-4.15,1.43,;-2.82,.66,;-2.82,-.88,;-4.15,-1.65,;-8.1,2.11,;-7.99,3.64,;-6.61,4.32,;-5.33,3.46,;-5.44,1.92,;-6.82,1.25,;-13.95,.87,;-14.06,-.67,;-15.44,-1.35,;-16.72,-.48,;-16.61,1.05,;-15.22,1.73,)|
Show InChI InChI=1S/C35H38N2O/c1-36(2)34(30-20-12-6-13-21-30)24-26-35(27-25-34,31-22-14-7-15-23-31)37(3)33(38)32(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h4-23,32H,24-27H2,1-3H3
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 10n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239867
PNG
(US9403767, 20 | US9403767, 21)
Show SMILES CN(C)C1(CCC(CO)(CCCCc2ccccc2)CC1)c1ccccc1 |(-9.74,-7.83,;-8.41,-8.6,;-9.31,-9.84,;-7.07,-7.83,;-5.53,-7.88,;-4.72,-6.58,;-5.44,-5.22,;-5.33,-3.68,;-6.61,-2.82,;-4.11,-4.45,;-2.77,-5.22,;-1.44,-4.45,;-.11,-5.22,;1.23,-4.45,;1.23,-2.91,;2.56,-2.14,;3.9,-2.91,;3.9,-4.45,;2.56,-5.22,;-6.98,-5.16,;-7.8,-6.47,;-7.18,-9.36,;-5.9,-10.22,;-6.01,-11.76,;-7.39,-12.44,;-8.67,-11.58,;-8.56,-10.04,)|
Show InChI InChI=1S/C25H35NO/c1-26(2)25(23-14-7-4-8-15-23)19-17-24(21-27,18-20-25)16-10-9-13-22-11-5-3-6-12-22/h3-8,11-12,14-15,27H,9-10,13,16-21H2,1-2H3
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US Patent
 11n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
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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US Patent
 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))		BDBM21852
PNG
(2-benzyl-5-fluoro-1'-[4-(propan-2-yl)cyclohexyl]-2...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
Show InChI InChI=1S/C29H37FN2O/c1-21(2)23-11-13-25(14-12-23)31-17-15-29(16-18-31)27-24(9-6-10-26(27)30)20-32(28(29)33)19-22-7-4-3-5-8-22/h3-10,21,23,25H,11-20H2,1-2H3
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Article
PubMed
 12 -44.8n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM26912
PNG
(8-[bis(2-chlorophenyl)methyl]-3-{2-[bis(propan-2-y...)
Show SMILES CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O)C(C)C
Show InChI InChI=1S/C34H42Cl2N4O/c1-25(2)39(26(3)4)23-22-38-24-40(27-12-6-5-7-13-27)34(33(38)41)18-20-37(21-19-34)32(28-14-8-10-16-30(28)35)29-15-9-11-17-31(29)36/h5-17,25-26,32H,18-24H2,1-4H3
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 12.1 -44.7n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
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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US Patent
 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))		BDBM239931
PNG
(US9403767, 114)
Show SMILES CN(C)C1(CCC(CC1)(N(C)Cc1cccc(c1)C(F)(F)F)c1ccccc1)c1ccccc1 |(-4.11,3.48,;-5.44,2.71,;-6.07,4.12,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-3.99,-6.17,;-2.66,-8.48,;-1.33,-9.25,;-1.89,-7.14,;-3.43,-9.81,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)|
Show InChI InChI=1S/C29H33F3N2/c1-33(2)27(24-12-6-4-7-13-24)17-19-28(20-18-27,25-14-8-5-9-15-25)34(3)22-23-11-10-16-26(21-23)29(30,31)32/h4-16,21H,17-20,22H2,1-3H3
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US Patent
 13.8n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239918
PNG
(US9403767, 92 | US9403767, 93)
Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1ccn(C)n1)c1ccccc1)c1ccccc1 |(6.92,4.5,;8.39,4.02,;9.53,5.05,;8.71,2.51,;9.53,1.21,;8.8,-.15,;7.26,-.21,;6.45,1.1,;7.17,2.46,;7.26,-1.75,;6.64,-3.15,;8.6,-2.52,;9.93,-1.75,;8.6,-4.06,;7.35,-4.96,;7.83,-6.43,;9.37,-6.43,;10.27,-7.67,;9.84,-4.96,;5.99,-1.07,;6.09,-2.6,;4.82,-3.46,;3.43,-2.79,;3.33,-1.25,;4.6,-.39,;10.14,3.09,;10.35,4.62,;11.78,5.19,;12.99,4.24,;12.78,2.72,;11.35,2.14,)|
Show InChI InChI=1S/C26H32N4O/c1-28(2)25(21-11-7-5-8-12-21)16-18-26(19-17-25,22-13-9-6-10-14-22)30(4)24(31)23-15-20-29(3)27-23/h5-15,20H,16-19H2,1-4H3
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US Patent
 15n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239866
PNG
(US9403767, 19)
Show SMILES CCCCC1(CNS(=O)(=O)c2ccc(Cl)cc2)CCC(CC1)(N(C)C)c1ccccc1 |(-.89,-6.6,;.62,-6.33,;1.15,-4.89,;2.67,-4.62,;3.66,-5.8,;4.65,-4.62,;4.12,-3.17,;5.11,-1.99,;3.93,-1,;6.29,-2.98,;6.1,-.81,;5.57,.63,;6.56,1.81,;8.08,1.55,;9.07,2.73,;8.61,.1,;7.62,-1.08,;4.99,-6.57,;4.99,-8.11,;3.66,-8.88,;2.32,-8.11,;2.32,-6.57,;4.65,-10.06,;4.12,-11.51,;6.16,-9.79,;2.67,-10.06,;3.19,-11.51,;2.2,-12.69,;.69,-12.42,;.16,-10.97,;1.15,-9.79,)|
Show InChI InChI=1S/C25H35ClN2O2S/c1-4-5-15-24(20-27-31(29,30)23-13-11-22(26)12-14-23)16-18-25(19-17-24,28(2)3)21-9-7-6-8-10-21/h6-14,27H,4-5,15-20H2,1-3H3
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 17n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))		BDBM239860
PNG
(US9403767, 9)
Show SMILES CNC1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(4.59,-6.44,;3.05,-6.39,;2.32,-5.03,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;.99,-2.72,;.99,-4.26,;1.33,-.77,;-.18,-1.04,;1.86,.68,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,)|
Show InChI InChI=1S/C21H28N2/c1-22-20(18-10-6-4-7-11-18)14-16-21(17-15-20,23(2)3)19-12-8-5-9-13-19/h4-13,22H,14-17H2,1-3H3
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 17.8n/an/an/an/an/an/a7.4n/a



GRUENENTHAL GMBH

US Patent


Assay Description
The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...

US Patent US9403767 (2016)


BindingDB Entry DOI: 10.7270/Q23R0RSJ
More data for this
Ligand-Target Pair
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