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Compile Data Set for Download or QSAR

Found 106 hits Enz. Inhib. hit(s) with Target = 'Nociceptin/Orphanin FQ, NOP receptor' AND taxid = 10116   
Target
(Institution)
LigandTarget
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/Orphanin FQ, NOP receptor


(RAT)
BDBM50087691
PNG
(8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19+
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0.0790n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087692
PNG
(8-Cyclodecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCC1
Show InChI InChI=1S/C23H35N3O/c27-22-23(26(19-24-22)21-13-9-6-10-14-21)15-17-25(18-16-23)20-11-7-4-2-1-3-5-8-12-20/h6,9-10,13-14,20H,1-5,7-8,11-12,15-19H2,(H,24,27)
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0.0820n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087687
PNG
(8-Cyclononyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCC1
Show InChI InChI=1S/C22H33N3O/c26-21-22(25(18-23-21)20-12-8-5-9-13-20)14-16-24(17-15-22)19-10-6-3-1-2-4-7-11-19/h5,8-9,12-13,19H,1-4,6-7,10-11,14-18H2,(H,23,26)
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0.240n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=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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0.380n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087698
PNG
(8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087697
PNG
(8-Cycloundecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCC1
Show InChI InChI=1S/C24H37N3O/c28-23-24(27(20-25-23)22-14-10-7-11-15-22)16-18-26(19-17-24)21-12-8-5-3-1-2-4-6-9-13-21/h7,10-11,14-15,21H,1-6,8-9,12-13,16-20H2,(H,25,28)
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0.490n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087685
PNG
(8-Cyclododecyl-1-phenyl-1,3,8-triaza-spiro[4.5]dec...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCCC1
Show InChI InChI=1S/C25H39N3O/c29-24-25(28(21-26-24)23-15-11-8-12-16-23)17-19-27(20-18-25)22-13-9-6-4-2-1-3-5-7-10-14-22/h8,11-12,15-16,22H,1-7,9-10,13-14,17-21H2,(H,26,29)
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0.950n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087690
PNG
(8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4....)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)23-9-5-2-6-10-23)15-17-27(18-16-25)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-10,20-22H,1,3-4,7-8,11-19H2,(H,26,29)/t21-,22+
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1.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087684
PNG
(8-Cyclooctyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C21H31N3O/c25-20-21(24(17-22-20)19-11-7-4-8-12-19)13-15-23(16-14-21)18-9-5-2-1-3-6-10-18/h4,7-8,11-12,18H,1-3,5-6,9-10,13-17H2,(H,22,25)
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1.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087693
PNG
(1-Phenyl-8-(4-propyl-cyclohexyl)-1,3,8-triaza-spir...)
Show SMILES CCC[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C22H33N3O/c1-2-6-18-9-11-19(12-10-18)24-15-13-22(14-16-24)21(26)23-17-25(22)20-7-4-3-5-8-20/h3-5,7-8,18-19H,2,6,9-17H2,1H3,(H,23,26)/t18-,19+
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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2.69n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087683
PNG
(8-(4-tert-Butyl-cyclohexyl)-1-phenyl-1,3,8-triaza-...)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H35N3O/c1-22(2,3)18-9-11-19(12-10-18)25-15-13-23(14-16-25)21(27)24-17-26(23)20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,24,27)/t18-,19+
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3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087689
PNG
(8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...)
Show SMILES CC(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19-
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4.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087686
PNG
(8-Cycloheptyl-1-phenyl-1,3,8-triaza-spiro[4.5]deca...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCC1
Show InChI InChI=1S/C20H29N3O/c24-19-20(23(16-21-19)18-10-6-3-7-11-18)12-14-22(15-13-20)17-8-4-1-2-5-9-17/h3,6-7,10-11,17H,1-2,4-5,8-9,12-16H2,(H,21,24)
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4.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087694
PNG
(8-(4-Methyl-cyclohexyl)-1-phenyl-1,3,8-triaza-spir...)
Show SMILES C[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C20H29N3O/c1-16-7-9-17(10-8-16)22-13-11-20(12-14-22)19(24)21-15-23(20)18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3,(H,21,24)/t16-,17+
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7.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167767
PNG
(((2S,3aS,12bS)-11-Fluoro-2,3,3a,12b-tetrahydro-1,8...)
Show SMILES CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
Show InChI InChI=1S/C19H20FNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19-/m0/s1
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8n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167760
PNG
(((2S,3aS,12bS)-11-Chloro-2,3,3a,12b-tetrahydro-1,8...)
Show SMILES CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C19H20ClNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19-/m0/s1
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087701
PNG
(8-(4-tert-Butyl-cyclohexyl)-1-phenyl-1,3,8-triaza-...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H35N3O/c1-22(2,3)18-9-11-19(12-10-18)25-15-13-23(14-16-25)21(27)24-17-26(23)20-7-5-4-6-8-20/h4-8,18-19H,9-17H2,1-3H3,(H,24,27)/t18-,19-
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12n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087695
PNG
(8-Cyclohexyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3O/c23-18-19(22(15-20-18)17-9-5-2-6-10-17)11-13-21(14-12-19)16-7-3-1-4-8-16/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H,20,23)
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25n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167755
PNG
(((2R,3aS,12bS)-11-Chloro-2,3,3a,12b-tetrahydro-1,8...)
Show SMILES CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C19H20ClNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15+,19+/m1/s1
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30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087699
PNG
(8-(4-Methyl-cyclohexyl)-1-phenyl-1,3,8-triaza-spir...)
Show SMILES C[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C20H29N3O/c1-16-7-9-17(10-8-16)22-13-11-20(12-14-22)19(24)21-15-23(20)18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3,(H,21,24)/t16-,17-
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41n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167763
PNG
(((2R,3aS,12bS)-11-Fluoro-2,3,3a,12b-tetrahydro-1,8...)
Show SMILES CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
Show InChI InChI=1S/C19H20FNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15+,19+/m1/s1
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41n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087688
PNG
(1-Phenyl-8-(4-propyl-cyclohexyl)-1,3,8-triaza-spir...)
Show SMILES CCC[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C22H33N3O/c1-2-6-18-9-11-19(12-10-18)24-15-13-22(14-16-24)21(26)23-17-25(22)20-7-4-3-5-8-20/h3-5,7-8,18-19H,2,6,9-17H2,1H3,(H,23,26)/t18-,19-
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52n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167768
PNG
(((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-...)
Show SMILES CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
Show InChI InChI=1S/C19H20BrNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19-/m0/s1
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54n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM85822
PNG
(Demethyl-AMPA | OFQ/N | OFQ/N (1-11) | OFQ/N (1-11...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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57.5n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167754
PNG
(CHEMBL194994 | Dimethyl-[(2R,3aS,12bR)-1-(2,3,3a,1...)
Show SMILES CN(C)C[C@H]1C[C@@H]2[C@@H](O1)c1ccccc1Oc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13-,16+,19+/m1/s1
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69n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167762
PNG
(((2S,3aS,12bS)-11-Methoxy-2,3,3a,12b-tetrahydro-1,...)
Show SMILES COc1ccc2Oc3ccccc3[C@@H]3C[C@@H](CN(C)C)O[C@@H]3c2c1
Show InChI InChI=1S/C20H23NO3/c1-21(2)12-14-11-16-15-6-4-5-7-18(15)24-19-9-8-13(22-3)10-17(19)20(16)23-14/h4-10,14,16,20H,11-12H2,1-3H3/t14-,16-,20-/m0/s1
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75n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50146344
PNG
(CHEMBL330713 | Dimethyl-[(3aS,12bS)-1-(2,3,3a,12b-...)
Show SMILES CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Oc1ccccc21
Show InChI InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19+/m0/s1
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88n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167753
PNG
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)
Show SMILES Cc1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
Show InChI InChI=1S/C24H20BrNO3/c1-14-6-8-23-20(10-14)26(29-23)13-16-12-18-17-4-2-3-5-21(17)28-22-9-7-15(25)11-19(22)24(18)27-16/h2-11,16,18,24H,12-13H2,1H3/t16-,18-,24-/m0/s1
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96n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167759
PNG
(((2R,3aS,12bS)-11-Methoxy-2,3,3a,12b-tetrahydro-1,...)
Show SMILES COc1ccc2Oc3ccccc3[C@@H]3C[C@H](CN(C)C)O[C@@H]3c2c1
Show InChI InChI=1S/C20H23NO3/c1-21(2)12-14-11-16-15-6-4-5-7-18(15)24-19-9-8-13(22-3)10-17(19)20(16)23-14/h4-10,14,16,20H,11-12H2,1-3H3/t14-,16+,20+/m1/s1
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116n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167766
PNG
(((2R,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-...)
Show SMILES CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
Show InChI InChI=1S/C19H20BrNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15+,19+/m1/s1
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125n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167756
PNG
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)
Show SMILES Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)C#N)O[C@@H]3c2c1
Show InChI InChI=1S/C24H17BrN2O3/c25-15-6-8-22-19(10-15)24-18(17-3-1-2-4-21(17)29-22)11-16(28-24)13-27-20-9-14(12-26)5-7-23(20)30-27/h1-10,16,18,24H,11,13H2/t16-,18-,24-/m0/s1
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142n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087700
PNG
(8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4....)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H](CC1)C1CCCCC1
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)23-9-5-2-6-10-23)15-17-27(18-16-25)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-10,20-22H,1,3-4,7-8,11-19H2,(H,26,29)/t21-,22-
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320n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50087696
PNG
(8-Cyclopentadecyl-1-phenyl-1,3,8-triaza-spiro[4.5]...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCCCCCC1
Show InChI InChI=1S/C28H45N3O/c32-27-28(31(24-29-27)26-18-14-11-15-19-26)20-22-30(23-21-28)25-16-12-9-7-5-3-1-2-4-6-8-10-13-17-25/h11,14-15,18-19,25H,1-10,12-13,16-17,20-24H2,(H,29,32)
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600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167769
PNG
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)
Show SMILES Nc1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
Show InChI InChI=1S/C23H19BrN2O3/c24-13-5-7-21-18(9-13)23-17(16-3-1-2-4-20(16)28-21)11-15(27-23)12-26-19-10-14(25)6-8-22(19)29-26/h1-10,15,17,23H,11-12,25H2/t15-,17-,23-/m0/s1
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620n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167761
PNG
(CHEMBL427007 | [8-((2S,3aS,12bS)-11-Bromo-2,3,3a,1...)
Show SMILES CN(C)c1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
Show InChI InChI=1S/C25H23BrN2O3/c1-27(2)16-8-10-24-21(12-16)28(31-24)14-17-13-19-18-5-3-4-6-22(18)30-23-9-7-15(26)11-20(23)25(19)29-17/h3-12,17,19,25H,13-14H2,1-2H3/t17-,19-,25-/m0/s1
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2.25E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167758
PNG
(1-[8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro...)
Show SMILES Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCC4=O)O[C@@H]3c2c1
Show InChI InChI=1S/C26H21BrN2O4/c27-15-5-7-23-20(11-15)26-19(18-3-1-2-4-22(18)32-23)13-17(31-26)14-29-21-12-16(6-8-24(21)33-29)28-10-9-25(28)30/h1-8,11-12,17,19,26H,9-10,13-14H2/t17-,19-,26-/m0/s1
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2.46E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167771
PNG
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)
Show SMILES Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(CN6CCOCC6)cc45)O[C@@H]3c2c1
Show InChI InChI=1S/C28H27BrN2O4/c29-19-6-8-26-23(14-19)28-22(21-3-1-2-4-25(21)34-26)15-20(33-28)17-31-24-13-18(5-7-27(24)35-31)16-30-9-11-32-12-10-30/h1-8,13-14,20,22,28H,9-12,15-17H2/t20-,22-,28-/m0/s1
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3.11E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167770
PNG
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)
Show SMILES Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)-c4ccccc4)O[C@@H]3c2c1
Show InChI InChI=1S/C29H22BrNO3/c30-20-11-13-27-24(15-20)29-23(22-8-4-5-9-26(22)33-27)16-21(32-29)17-31-25-14-19(10-12-28(25)34-31)18-6-2-1-3-7-18/h1-15,21,23,29H,16-17H2/t21-,23-,29-/m0/s1
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4.06E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167764
PNG
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)
Show SMILES Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCOCC4)O[C@@H]3c2c1
Show InChI InChI=1S/C27H25BrN2O4/c28-17-5-7-25-22(13-17)27-21(20-3-1-2-4-24(20)33-25)15-19(32-27)16-30-23-14-18(6-8-26(23)34-30)29-9-11-31-12-10-29/h1-8,13-14,19,21,27H,9-12,15-16H2/t19-,21-,27-/m0/s1
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4.11E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50167765
PNG
(8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,...)
Show SMILES CCOC(=O)c1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
Show InChI InChI=1S/C26H22BrNO5/c1-2-30-26(29)15-7-9-24-21(11-15)28(33-24)14-17-13-19-18-5-3-4-6-22(18)32-23-10-8-16(27)12-20(23)25(19)31-17/h3-12,17,19,25H,2,13-14H2,1H3/t17-,19-,25-/m0/s1
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>5.45E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against norepinephrin transpoter using [3H]-nisoxetine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM86252
PNG
(CAS_0 | NSC_0 | OFQ II 1-28)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](C(C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(C)C)C(N)=O
Show InChI InChI=1S/C146H235N49O42S2/c1-70(2)54-93(130(225)185-98(60-79-63-163-69-169-79)134(229)177-88(38-43-107(150)204)124(219)186-99(61-109(152)206)118(213)168-64-111(208)170-100(62-110(153)207)136(231)193-113(73(7)8)116(154)211)188-142(237)115(75(11)200)195-129(224)85(31-23-51-167-146(161)162)174-120(215)82(28-20-48-164-143(155)156)171-119(214)83(29-21-49-165-144(157)158)172-122(217)86(36-41-105(148)202)178-138(233)103(67-198)192-140(235)104(68-199)190-126(221)89(39-44-108(151)205)176-128(223)92(47-53-239-13)181-139(234)102(66-197)191-131(226)94(55-71(3)4)187-141(236)114(74(9)10)194-135(230)95(56-72(5)6)182-133(228)97(59-78-32-34-80(201)35-33-78)184-123(218)87(37-42-106(149)203)175-121(216)84(30-22-50-166-145(159)160)173-127(222)91(46-52-238-12)180-132(227)96(58-77-26-18-15-19-27-77)183-125(220)90(40-45-112(209)210)179-137(232)101(65-196)189-117(212)81(147)57-76-24-16-14-17-25-76/h14-19,24-27,32-35,63,69-75,81-104,113-115,196-201H,20-23,28-31,36-62,64-68,147H2,1-13H3,(H2,148,202)(H2,149,203)(H2,150,204)(H2,151,205)(H2,152,206)(H2,153,207)(H2,154,211)(H,163,169)(H,168,213)(H,170,208)(H,171,214)(H,172,217)(H,173,222)(H,174,215)(H,175,216)(H,176,223)(H,177,229)(H,178,233)(H,179,232)(H,180,227)(H,181,234)(H,182,228)(H,183,220)(H,184,218)(H,185,225)(H,186,219)(H,187,236)(H,188,237)(H,189,212)(H,190,221)(H,191,226)(H,192,235)(H,193,231)(H,194,230)(H,195,224)(H,209,210)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)/t75?,81-,82+,83+,84+,85+,86+,87+,88+,89+,90-,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,113+,114+,115+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM86254
PNG
(OFQ II 1-17)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C92H141N23O28S2/c1-47(2)38-62(82(133)113-67(44-117)87(138)105-60(34-37-145-8)81(132)102-57(26-30-71(95)122)79(130)112-69(46-119)89(140)114-68(45-118)88(139)106-61(91(142)143)27-31-72(96)123)110-90(141)74(49(5)6)115-85(136)63(39-48(3)4)107-84(135)65(42-52-21-23-53(120)24-22-52)109-77(128)56(25-29-70(94)121)101-76(127)55(20-15-35-99-92(97)98)100-80(131)59(33-36-144-7)104-83(134)64(41-51-18-13-10-14-19-51)108-78(129)58(28-32-73(124)125)103-86(137)66(43-116)111-75(126)54(93)40-50-16-11-9-12-17-50/h9-14,16-19,21-24,47-49,54-69,74,116-120H,15,20,25-46,93H2,1-8H3,(H2,94,121)(H2,95,122)(H2,96,123)(H,100,131)(H,101,127)(H,102,132)(H,103,137)(H,104,134)(H,105,138)(H,106,139)(H,107,135)(H,108,129)(H,109,128)(H,110,141)(H,111,126)(H,112,130)(H,113,133)(H,114,140)(H,115,136)(H,124,125)(H,142,143)(H4,97,98,99)/t54?,55-,56-,57-,58+,59+,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,74-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)

More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50274454
PNG
(CHEMBL511107 | FGGFTGARKSARKKKNQ)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C82H137N29O22/c1-45(99-64(117)43-98-79(131)66(47(3)113)111-77(129)58(39-49-22-8-5-9-23-49)101-65(118)42-96-63(116)41-97-69(121)50(87)38-48-20-6-4-7-21-48)67(119)102-55(28-18-36-94-81(90)91)72(124)107-54(27-13-17-35-86)75(127)110-60(44-112)78(130)100-46(2)68(120)103-56(29-19-37-95-82(92)93)73(125)105-52(25-11-15-33-84)70(122)104-51(24-10-14-32-83)71(123)106-53(26-12-16-34-85)74(126)109-59(40-62(89)115)76(128)108-57(80(132)133)30-31-61(88)114/h4-9,20-23,45-47,50-60,66,112-113H,10-19,24-44,83-87H2,1-3H3,(H2,88,114)(H2,89,115)(H,96,116)(H,97,121)(H,98,131)(H,99,117)(H,100,130)(H,101,118)(H,102,119)(H,103,120)(H,104,122)(H,105,125)(H,106,123)(H,107,124)(H,108,128)(H,109,126)(H,110,127)(H,111,129)(H,132,133)(H4,90,91,94)(H4,92,93,95)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50274452
PNG
(CHEMBL506825 | FGGFTGARKSARKKRNQ)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C82H137N31O22/c1-44(101-63(119)42-100-78(133)65(46(3)115)113-76(131)57(38-48-21-8-5-9-22-48)103-64(120)41-98-62(118)40-99-68(123)49(86)37-47-19-6-4-7-20-47)66(121)104-53(26-16-34-95-80(89)90)71(126)108-52(25-12-15-33-85)74(129)112-59(43-114)77(132)102-45(2)67(122)105-54(27-17-35-96-81(91)92)72(127)107-50(23-10-13-31-83)69(124)106-51(24-11-14-32-84)70(125)109-55(28-18-36-97-82(93)94)73(128)111-58(39-61(88)117)75(130)110-56(79(134)135)29-30-60(87)116/h4-9,19-22,44-46,49-59,65,114-115H,10-18,23-43,83-86H2,1-3H3,(H2,87,116)(H2,88,117)(H,98,118)(H,99,123)(H,100,133)(H,101,119)(H,102,132)(H,103,120)(H,104,121)(H,105,122)(H,106,124)(H,107,127)(H,108,126)(H,109,125)(H,110,130)(H,111,128)(H,112,129)(H,113,131)(H,134,135)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50274449
PNG
(CHEMBL505874 | FGGFTGARKSARKRKNQ)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C82H137N31O22/c1-44(101-63(119)42-100-78(133)65(46(3)115)113-76(131)57(38-48-21-8-5-9-22-48)103-64(120)41-98-62(118)40-99-68(123)49(86)37-47-19-6-4-7-20-47)66(121)104-53(26-16-34-95-80(89)90)70(125)108-52(25-12-15-33-85)74(129)112-59(43-114)77(132)102-45(2)67(122)105-54(27-17-35-96-81(91)92)71(126)106-50(23-10-13-31-83)69(124)109-55(28-18-36-97-82(93)94)72(127)107-51(24-11-14-32-84)73(128)111-58(39-61(88)117)75(130)110-56(79(134)135)29-30-60(87)116/h4-9,19-22,44-46,49-59,65,114-115H,10-18,23-43,83-86H2,1-3H3,(H2,87,116)(H2,88,117)(H,98,118)(H,99,123)(H,100,133)(H,101,119)(H,102,132)(H,103,120)(H,104,121)(H,105,122)(H,106,126)(H,107,127)(H,108,125)(H,109,124)(H,110,130)(H,111,128)(H,112,129)(H,113,131)(H,134,135)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50274449
PNG
(CHEMBL505874 | FGGFTGARKSARKRKNQ)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C82H137N31O22/c1-44(101-63(119)42-100-78(133)65(46(3)115)113-76(131)57(38-48-21-8-5-9-22-48)103-64(120)41-98-62(118)40-99-68(123)49(86)37-47-19-6-4-7-20-47)66(121)104-53(26-16-34-95-80(89)90)70(125)108-52(25-12-15-33-85)74(129)112-59(43-114)77(132)102-45(2)67(122)105-54(27-17-35-96-81(91)92)71(126)106-50(23-10-13-31-83)69(124)109-55(28-18-36-97-82(93)94)72(127)107-51(24-11-14-32-84)73(128)111-58(39-61(88)117)75(130)110-56(79(134)135)29-30-60(87)116/h4-9,19-22,44-46,49-59,65,114-115H,10-18,23-43,83-86H2,1-3H3,(H2,87,116)(H2,88,117)(H,98,118)(H,99,123)(H,100,133)(H,101,119)(H,102,132)(H,103,120)(H,104,121)(H,105,122)(H,106,126)(H,107,127)(H,108,125)(H,109,124)(H,110,130)(H,111,128)(H,112,129)(H,113,131)(H,134,135)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50296841
PNG
(CHEMBL556388 | FGGFTGARKSARKWRNQ)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C87H135N31O22/c1-46(106-68(124)44-105-83(138)70(48(3)120)118-81(136)61(38-50-21-8-5-9-22-50)108-69(125)43-103-67(123)42-104-73(128)53(90)37-49-19-6-4-7-20-49)71(126)109-57(27-16-34-99-85(93)94)74(129)112-56(26-13-15-33-89)78(133)117-64(45-119)82(137)107-47(2)72(127)110-58(28-17-35-100-86(95)96)75(130)111-55(25-12-14-32-88)76(131)115-62(39-51-41-102-54-24-11-10-23-52(51)54)79(134)113-59(29-18-36-101-87(97)98)77(132)116-63(40-66(92)122)80(135)114-60(84(139)140)30-31-65(91)121/h4-11,19-24,41,46-48,53,55-64,70,102,119-120H,12-18,25-40,42-45,88-90H2,1-3H3,(H2,91,121)(H2,92,122)(H,103,123)(H,104,128)(H,105,138)(H,106,124)(H,107,137)(H,108,125)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,134)(H,114,135)(H,115,131)(H,116,132)(H,117,133)(H,118,136)(H,139,140)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t46-,47-,48+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50296842
PNG
(CHEMBL559130 | FGGFTGARKSARKWKNQ)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C87H135N29O22/c1-47(104-69(122)45-103-84(136)71(49(3)118)116-82(134)62(39-51-22-8-5-9-23-51)106-70(123)44-101-68(121)43-102-74(126)54(91)38-50-20-6-4-7-21-50)72(124)107-59(29-18-36-98-86(94)95)75(127)110-58(28-14-17-35-90)79(131)115-65(46-117)83(135)105-48(2)73(125)108-60(30-19-37-99-87(96)97)76(128)109-56(26-12-15-33-88)77(129)113-63(40-52-42-100-55-25-11-10-24-53(52)55)80(132)111-57(27-13-16-34-89)78(130)114-64(41-67(93)120)81(133)112-61(85(137)138)31-32-66(92)119/h4-11,20-25,42,47-49,54,56-65,71,100,117-118H,12-19,26-41,43-46,88-91H2,1-3H3,(H2,92,119)(H2,93,120)(H,101,121)(H,102,126)(H,103,136)(H,104,122)(H,105,135)(H,106,123)(H,107,124)(H,108,125)(H,109,128)(H,110,127)(H,111,132)(H,112,133)(H,113,129)(H,114,130)(H,115,131)(H,116,134)(H,137,138)(H4,94,95,98)(H4,96,97,99)/t47-,48-,49+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM50274453
PNG
(CHEMBL507847 | FGGFTGARKSARKRRNQ)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C82H137N33O22/c1-43(103-62(121)41-102-77(135)64(45(3)117)115-75(133)56(37-47-20-8-5-9-21-47)105-63(122)40-100-61(120)39-101-67(125)48(85)36-46-18-6-4-7-19-46)65(123)106-51(24-14-32-96-79(88)89)69(127)109-50(23-11-13-31-84)73(131)114-58(42-116)76(134)104-44(2)66(124)107-52(25-15-33-97-80(90)91)70(128)108-49(22-10-12-30-83)68(126)110-53(26-16-34-98-81(92)93)71(129)111-54(27-17-35-99-82(94)95)72(130)113-57(38-60(87)119)74(132)112-55(78(136)137)28-29-59(86)118/h4-9,18-21,43-45,48-58,64,116-117H,10-17,22-42,83-85H2,1-3H3,(H2,86,118)(H2,87,119)(H,100,120)(H,101,125)(H,102,135)(H,103,121)(H,104,134)(H,105,122)(H,106,123)(H,107,124)(H,108,128)(H,109,127)(H,110,126)(H,111,129)(H,112,132)(H,113,130)(H,114,131)(H,115,133)(H,136,137)(H4,88,89,96)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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n/an/a 0.270n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells


Citation and Details
More data for this
Ligand-Target Pair
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