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Compile Data Set for Download or QSAR

Found 791 hits with Last Name = 'jones' and Initial = 'ps'   
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))
BDBM50311512
PNG
(2-(3-(1-cyclodecylpiperidin-4-yl)-2-oxo-2,3-dihydr...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCCCCCC2)c1=O
Show InChI InChI=1S/C25H38N4O2/c1-26-24(30)19-28-22-13-9-10-14-23(22)29(25(28)31)21-15-17-27(18-16-21)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20-21H,2-8,11-12,15-19H2,1H3,(H,26,30)
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0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478160
PNG
(CHEMBL260767)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O
Show InChI InChI=1S/C29H40N4O4/c1-20(2)26(37-27-18-23(36-5)11-10-21(27)3)14-17-31-15-12-22(13-16-31)33-25-9-7-6-8-24(25)32(29(33)35)19-28(34)30-4/h6-11,18,20,22,26H,12-17,19H2,1-5H3,(H,30,34)/t26-/m0/s1
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0.501n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311486
PNG
(2-[1-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-1,4-d...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
Show InChI InChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311475
PNG
(2-(3-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wD:19.20,22.27,(27.93,-11.32,;26.39,-11.32,;25.62,-12.66,;26.39,-13.99,;24.08,-12.66,;23.31,-13.99,;23.64,-15.49,;24.98,-16.26,;24.98,-17.81,;23.65,-18.58,;22.31,-17.81,;22.32,-16.26,;21.17,-15.25,;19.85,-16.03,;18.51,-15.26,;17.19,-16.03,;17.19,-17.57,;18.53,-18.34,;19.86,-17.56,;15.86,-18.35,;15.87,-19.89,;14.53,-20.66,;13.19,-19.89,;13.2,-18.35,;14.52,-17.58,;11.86,-20.66,;10.53,-19.89,;11.86,-22.2,;21.78,-13.84,;21.01,-12.52,)|
Show InChI InChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29)/t18-,19+
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478179
PNG
(CHEMBL260556)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncn[nH]3)c2=O)C(C)C)c1
Show InChI InChI=1S/C29H38N6O3/c1-20(2)26(38-27-17-23(37-4)10-9-21(27)3)13-16-33-14-11-22(12-15-33)35-25-8-6-5-7-24(25)34(29(35)36)18-28-30-19-31-32-28/h5-10,17,19-20,22,26H,11-16,18H2,1-4H3,(H,30,31,32)
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0.891n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478179
PNG
(CHEMBL260556)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncn[nH]3)c2=O)C(C)C)c1
Show InChI InChI=1S/C29H38N6O3/c1-20(2)26(38-27-17-23(37-4)10-9-21(27)3)13-16-33-14-11-22(12-15-33)35-25-8-6-5-7-24(25)34(29(35)36)18-28-30-19-31-32-28/h5-10,17,19-20,22,26H,11-16,18H2,1-4H3,(H,30,31,32)
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0.891n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200594
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCSC)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C29H41N3O3S/c1-21(2)27(35-28-20-24(34-4)11-10-22(28)3)14-17-30-15-12-23(13-16-30)32-26-9-7-6-8-25(26)31(29(32)33)18-19-36-5/h6-11,20-21,23,27H,12-19H2,1-5H3
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1n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200613
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C28H39N3O3S/c1-20(2)26(34-27-18-23(33-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(19-35-5)28(31)32/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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1n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200592
PNG
((+)-2-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-meth...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
Show InChI InChI=1S/C29H40N4O4/c1-20(2)26(37-27-18-23(36-5)11-10-21(27)3)14-17-31-15-12-22(13-16-31)33-25-9-7-6-8-24(25)32(29(33)35)19-28(34)30-4/h6-11,18,20,22,26H,12-17,19H2,1-5H3,(H,30,34)
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1n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50311487
PNG
(2-(8-cyclodecyl-1-oxo-4-phenyl-2,3,8-triazaspiro[4...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCCCCCCCC2)C1=O |t:6|
Show InChI InChI=1S/C26H38N4O2/c1-27-23(31)20-30-25(32)26(24(28-30)21-12-8-7-9-13-21)16-18-29(19-17-26)22-14-10-5-3-2-4-6-11-15-22/h7-9,12-13,22H,2-6,10-11,14-20H2,1H3,(H,27,31)
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478171
PNG
(CHEMBL259263)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cscn3)c2=O)C(C)C)c1
Show InChI InChI=1S/C30H38N4O3S/c1-21(2)28(37-29-17-25(36-4)10-9-22(29)3)13-16-32-14-11-24(12-15-32)34-27-8-6-5-7-26(27)33(30(34)35)18-23-19-38-20-31-23/h5-10,17,19-21,24,28H,11-16,18H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311511
PNG
(CHEMBL1088171 | N-methyl-2-(2-oxo-3-(1-(spiro[5.5]...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCC3(CCCCC3)C2)c1=O
Show InChI InChI=1S/C26H38N4O2/c1-27-24(31)19-29-22-9-3-4-10-23(22)30(25(29)32)20-11-16-28(17-12-20)21-8-7-15-26(18-21)13-5-2-6-14-26/h3-4,9-10,20-21H,2,5-8,11-19H2,1H3,(H,27,31)
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478190
PNG
(CHEMBL260169)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cccs3)c2=O)C(C)C)c1
Show InChI InChI=1S/C31H39N3O3S/c1-22(2)29(37-30-20-25(36-4)12-11-23(30)3)15-18-32-16-13-24(14-17-32)34-28-10-6-5-9-27(28)33(31(34)35)21-26-8-7-19-38-26/h5-12,19-20,22,24,29H,13-18,21H2,1-4H3
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1.40n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478170
PNG
(CHEMBL259511)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ccsc3)c2=O)C(C)C)c1
Show InChI InChI=1S/C31H39N3O3S/c1-22(2)29(37-30-19-26(36-4)10-9-23(30)3)13-17-32-15-11-25(12-16-32)34-28-8-6-5-7-27(28)33(31(34)35)20-24-14-18-38-21-24/h5-10,14,18-19,21-22,25,29H,11-13,15-17,20H2,1-4H3
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1.5n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311475
PNG
(2-(3-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wD:19.20,22.27,(27.93,-11.32,;26.39,-11.32,;25.62,-12.66,;26.39,-13.99,;24.08,-12.66,;23.31,-13.99,;23.64,-15.49,;24.98,-16.26,;24.98,-17.81,;23.65,-18.58,;22.31,-17.81,;22.32,-16.26,;21.17,-15.25,;19.85,-16.03,;18.51,-15.26,;17.19,-16.03,;17.19,-17.57,;18.53,-18.34,;19.86,-17.56,;15.86,-18.35,;15.87,-19.89,;14.53,-20.66,;13.19,-19.89,;13.2,-18.35,;14.52,-17.58,;11.86,-20.66,;10.53,-19.89,;11.86,-22.2,;21.78,-13.84,;21.01,-12.52,)|
Show InChI InChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29)/t18-,19+
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1.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478177
PNG
(CHEMBL261839)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncsn3)c2=O)C(C)C)c1
Show InChI InChI=1S/C29H37N5O3S/c1-20(2)26(37-27-17-23(36-4)10-9-21(27)3)13-16-32-14-11-22(12-15-32)34-25-8-6-5-7-24(25)33(29(34)35)18-28-30-19-38-31-28/h5-10,17,19-20,22,26H,11-16,18H2,1-4H3
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1.70n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478188
PNG
(CHEMBL411643)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cn3cncn3)c2=O)C(C)C)c1
Show InChI InChI=1S/C29H38N6O3/c1-21(2)27(38-28-17-24(37-4)10-9-22(28)3)13-16-32-14-11-23(12-15-32)35-26-8-6-5-7-25(26)34(29(35)36)20-33-19-30-18-31-33/h5-10,17-19,21,23,27H,11-16,20H2,1-4H3
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1.90n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200601
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES CNCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
Show InChI InChI=1S/C29H42N4O3/c1-21(2)27(36-28-20-24(35-5)11-10-22(28)3)14-18-31-16-12-23(13-17-31)33-26-9-7-6-8-25(26)32(29(33)34)19-15-30-4/h6-11,20-21,23,27,30H,12-19H2,1-5H3
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2n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200589
PNG
(2-{8-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O |w:20.20|
Show InChI InChI=1S/C30H42N4O4/c1-22(2)26(38-27-19-25(37-5)12-11-23(27)3)13-16-32-17-14-30(15-18-32)29(36)33(20-28(35)31-4)21-34(30)24-9-7-6-8-10-24/h6-12,19,22,26H,13-18,20-21H2,1-5H3,(H,31,35)
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2n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200611
PNG
(8-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpentyl]-...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)C(C)C)c1
Show InChI InChI=1S/C27H37N3O3/c1-20(2)24(33-25-18-23(32-4)11-10-21(25)3)12-15-29-16-13-27(14-17-29)26(31)28-19-30(27)22-8-6-5-7-9-22/h5-11,18,20,24H,12-17,19H2,1-4H3,(H,28,31)
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2n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200597
PNG
(1-(1-(3-(5-methoxy-2-methylphenoxy)-4-methylpentyl...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C26H35N3O3/c1-18(2)24(32-25-17-21(31-4)10-9-19(25)3)13-16-28-14-11-20(12-15-28)29-23-8-6-5-7-22(23)27-26(29)30/h5-10,17-18,20,24H,11-16H2,1-4H3,(H,27,30)
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2n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478166
PNG
(CHEMBL260768)
Show SMILES COCCn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O
Show InChI InChI=1S/C29H41N3O4/c1-21(2)27(36-28-20-24(35-5)11-10-22(28)3)14-17-30-15-12-23(13-16-30)32-26-9-7-6-8-25(26)31(29(32)33)18-19-34-4/h6-11,20-21,23,27H,12-19H2,1-5H3/t27-/m0/s1
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2n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50311486
PNG
(2-[1-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-1,4-d...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
Show InChI InChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311487
PNG
(2-(8-cyclodecyl-1-oxo-4-phenyl-2,3,8-triazaspiro[4...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCCCCCCCC2)C1=O |t:6|
Show InChI InChI=1S/C26H38N4O2/c1-27-23(31)20-30-25(32)26(24(28-30)21-12-8-7-9-13-21)16-18-29(19-17-26)22-14-10-5-3-2-4-6-11-15-22/h7-9,12-13,22H,2-6,10-11,14-20H2,1H3,(H,27,31)
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478178
PNG
(CHEMBL259048)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncon3)c2=O)C(C)C)c1
Show InChI InChI=1S/C29H37N5O4/c1-20(2)26(38-27-17-23(36-4)10-9-21(27)3)13-16-32-14-11-22(12-15-32)34-25-8-6-5-7-24(25)33(29(34)35)18-28-30-19-37-31-28/h5-10,17,19-20,22,26H,11-16,18H2,1-4H3
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2.40n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311485
PNG
(2-[3-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-2,3-d...)
Show SMILES CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
Show InChI InChI=1S/C24H38N4O3S/c1-25-24(29)19-27-22-13-9-10-14-23(22)28(32(27,30)31)21-15-17-26(18-16-21)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20-21H,2-8,11-12,15-19H2,1H3,(H,25,29)
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2.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478167
PNG
(CHEMBL262064)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cocn3)c2=O)C(C)C)c1
Show InChI InChI=1S/C30H38N4O4/c1-21(2)28(38-29-17-25(36-4)10-9-22(29)3)13-16-32-14-11-24(12-15-32)34-27-8-6-5-7-26(27)33(30(34)35)18-23-19-37-20-31-23/h5-10,17,19-21,24,28H,11-16,18H2,1-4H3
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2.5n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311497
PNG
(CHEMBL1080508 | N-methyl-2-(3-(1-((4-methylnaphtha...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c1=O
Show InChI InChI=1S/C27H30N4O2/c1-19-11-12-20(23-8-4-3-7-22(19)23)17-29-15-13-21(14-16-29)31-25-10-6-5-9-24(25)30(27(31)33)18-26(32)28-2/h3-12,21H,13-18H2,1-2H3,(H,28,32)
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311472
PNG
(2-{1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(46.18,10.07,;44.85,9.29,;44.85,7.75,;46.18,6.98,;43.52,6.97,;43.52,5.43,;44.84,4.67,;44.85,3.15,;46.19,2.39,;46.19,.84,;44.85,.07,;43.52,.84,;43.52,2.38,;42.2,3.14,;40.87,2.37,;39.53,3.13,;38.21,2.36,;38.2,.82,;39.54,.06,;40.88,.83,;36.87,.06,;35.53,.83,;34.2,.07,;34.2,-1.47,;35.53,-2.24,;36.87,-1.48,;32.86,-2.24,;31.53,-1.46,;32.85,-3.78,;42.2,4.67,;40.7,4.27,;41.42,6,)|
Show InChI InChI=1S/C24H38N4O3S/c1-18(2)19-8-10-21(11-9-19)26-14-12-22(13-15-26)28-23-7-5-4-6-20(23)16-27(32(28,30)31)17-24(29)25-3/h4-7,18-19,21-22H,8-17H2,1-3H3,(H,25,29)
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2.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200614
PNG
(1-methanesulfonylmethyl-3-{1-[3-(5-methoxy-2-methy...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)(=O)=O)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C28H39N3O5S/c1-20(2)26(36-27-18-23(35-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(28(31)32)19-37(5,33)34/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200610
PNG
(1-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpenty...)
Show SMILES CCC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
Show InChI InChI=1S/C30H41N3O4/c1-6-24(34)20-32-26-9-7-8-10-27(26)33(30(32)35)23-13-16-31(17-14-23)18-15-28(21(2)3)37-29-19-25(36-5)12-11-22(29)4/h7-12,19,21,23,28H,6,13-18,20H2,1-5H3
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3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200607
PNG
(2-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpe...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(N)=O)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C28H38N4O4/c1-19(2)25(36-26-17-22(35-4)10-9-20(26)3)13-16-30-14-11-21(12-15-30)32-24-8-6-5-7-23(24)31(28(32)34)18-27(29)33/h5-10,17,19,21,25H,11-16,18H2,1-4H3,(H2,29,33)
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3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200608
PNG
(CHEMBL238818 | N-cyclopropyl-2-(3-{1-[3-(5-methoxy...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC3CC3)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C31H42N4O4/c1-21(2)28(39-29-19-25(38-4)12-9-22(29)3)15-18-33-16-13-24(14-17-33)35-27-8-6-5-7-26(27)34(31(35)37)20-30(36)32-23-10-11-23/h5-9,12,19,21,23-24,28H,10-11,13-18,20H2,1-4H3,(H,32,36)
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3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50159903
PNG
(1-{1-[3-(2-Chloro-5-methoxy-phenoxy)-4-methyl-pent...)
Show SMILES COc1ccc(Cl)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1
Show InChI InChI=1S/C25H32ClN3O3/c1-17(2)23(32-24-16-19(31-3)8-9-20(24)26)12-15-28-13-10-18(11-14-28)29-22-7-5-4-6-21(22)27-25(29)30/h4-9,16-18,23H,10-15H2,1-3H3,(H,27,30)
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3n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor like 1 was determined by using [3H]-nociceptin as radioligand expressed in Chinese hamster ovary (CHO)...


Bioorg Med Chem Lett 15: 589-93 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.049
BindingDB Entry DOI: 10.7270/Q2K35T50
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478161
PNG
(CHEMBL428253)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cn3cccn3)c2=O)C(C)C)c1
Show InChI InChI=1S/C30H39N5O3/c1-22(2)28(38-29-20-25(37-4)11-10-23(29)3)14-19-32-17-12-24(13-18-32)35-27-9-6-5-8-26(27)34(30(35)36)21-33-16-7-15-31-33/h5-11,15-16,20,22,24,28H,12-14,17-19,21H2,1-4H3
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3.30n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311505
PNG
(2-(3-(1-(decahydronaphthalen-2-yl)piperidin-4-yl)-...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC3CCCCC3C2)c1=O
Show InChI InChI=1S/C25H36N4O2/c1-26-24(30)17-28-22-8-4-5-9-23(22)29(25(28)31)20-12-14-27(15-13-20)21-11-10-18-6-2-3-7-19(18)16-21/h4-5,8-9,18-21H,2-3,6-7,10-17H2,1H3,(H,26,30)
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3.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478162
PNG
(CHEMBL259120)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3c(C)noc3C)c2=O)C(C)C)c1
Show InChI InChI=1S/C32H42N4O4/c1-21(2)30(39-31-19-26(38-6)12-11-22(31)3)15-18-34-16-13-25(14-17-34)36-29-10-8-7-9-28(29)35(32(36)37)20-27-23(4)33-40-24(27)5/h7-12,19,21,25,30H,13-18,20H2,1-6H3
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3.5n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50311491
PNG
(2-(3-(1-(biphenyl-2-ylmethyl)piperidin-4-yl)-2-oxo...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c1=O
Show InChI InChI=1S/C28H30N4O2/c1-29-27(33)20-31-25-13-7-8-14-26(25)32(28(31)34)23-15-17-30(18-16-23)19-22-11-5-6-12-24(22)21-9-3-2-4-10-21/h2-14,23H,15-20H2,1H3,(H,29,33)
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3.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478186
PNG
(CHEMBL410257)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3c[nH]cn3)c2=O)C(C)C)c1
Show InChI InChI=1S/C30H39N5O3/c1-21(2)28(38-29-17-25(37-4)10-9-22(29)3)13-16-33-14-11-24(12-15-33)35-27-8-6-5-7-26(27)34(30(35)36)19-23-18-31-20-32-23/h5-10,17-18,20-21,24,28H,11-16,19H2,1-4H3,(H,31,32)
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3.70n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478182
PNG
(CHEMBL262062)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncco3)c2=O)C(C)C)c1
Show InChI InChI=1S/C30H38N4O4/c1-21(2)27(38-28-19-24(36-4)10-9-22(28)3)13-17-32-15-11-23(12-16-32)34-26-8-6-5-7-25(26)33(30(34)35)20-29-31-14-18-37-29/h5-10,14,18-19,21,23,27H,11-13,15-17,20H2,1-4H3
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3.90n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200618
PNG
(1-methanesulfinylmethyl-3-{1-[3-(5-methoxy-2-methy...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)=O)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C28H39N3O4S/c1-20(2)26(35-27-18-23(34-4)11-10-21(27)3)14-17-29-15-12-22(13-16-29)31-25-9-7-6-8-24(25)30(28(31)32)19-36(5)33/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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4n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200588
PNG
((3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpent...)
Show SMILES COC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
Show InChI InChI=1S/C29H39N3O5/c1-20(2)26(37-27-18-23(35-4)11-10-21(27)3)14-17-30-15-12-22(13-16-30)32-25-9-7-6-8-24(25)31(29(32)34)19-28(33)36-5/h6-11,18,20,22,26H,12-17,19H2,1-5H3
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4n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200598
PNG
(1-(2-dimethylamino-ethyl)-3-{1-[3-(5-methoxy-2-met...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)C)c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C30H44N4O3/c1-22(2)28(37-29-21-25(36-6)12-11-23(29)3)15-18-32-16-13-24(14-17-32)34-27-10-8-7-9-26(27)33(30(34)35)20-19-31(4)5/h7-12,21-22,24,28H,13-20H2,1-6H3
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4n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200597
PNG
(1-(1-(3-(5-methoxy-2-methylphenoxy)-4-methylpentyl...)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1 |w:9.8|
Show InChI InChI=1S/C26H35N3O3/c1-18(2)24(32-25-17-21(31-4)10-9-19(25)3)13-16-28-14-11-20(12-15-28)29-23-8-6-5-7-22(23)27-26(29)30/h5-10,17-18,20,24H,11-16H2,1-4H3,(H,27,30)
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4n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor like 1 was determined by using [3H]-nociceptin as radioligand expressed in Chinese hamster ovary (CHO)...


Bioorg Med Chem Lett 15: 589-93 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.049
BindingDB Entry DOI: 10.7270/Q2K35T50
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200595
PNG
((+)-1-(2-methoxy-ethyl)-3-{1-[3-(5-methoxy-2-methy...)
Show SMILES COCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
Show InChI InChI=1S/C29H41N3O4/c1-21(2)27(36-28-20-24(35-5)11-10-22(28)3)14-17-30-15-12-23(13-16-30)32-26-9-7-6-8-25(26)31(29(32)33)18-19-34-4/h6-11,20-21,23,27H,12-19H2,1-5H3
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4.10n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478180
PNG
(CHEMBL260784)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cn3ccnc3)c2=O)C(C)C)c1
Show InChI InChI=1S/C30H39N5O3/c1-22(2)28(38-29-19-25(37-4)10-9-23(29)3)13-17-32-15-11-24(12-16-32)35-27-8-6-5-7-26(27)34(30(35)36)21-33-18-14-31-20-33/h5-10,14,18-20,22,24,28H,11-13,15-17,21H2,1-4H3
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4.20n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311507
PNG
(CHEMBL1087276 | N-methyl-2-(2-oxo-3-(1-(2,2,4,4-te...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(C)(C)CC2(C)C)c1=O
Show InChI InChI=1S/C25H38N4O2/c1-24(2)13-10-21(25(3,4)17-24)27-14-11-18(12-15-27)29-20-9-7-6-8-19(20)28(23(29)31)16-22(30)26-5/h6-9,18,21H,10-17H2,1-5H3,(H,26,30)
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4.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478176
PNG
(CHEMBL406647)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cn3ccnc3C)c2=O)C(C)C)c1
Show InChI InChI=1S/C31H41N5O3/c1-22(2)29(39-30-20-26(38-5)11-10-23(30)3)14-18-33-16-12-25(13-17-33)36-28-9-7-6-8-27(28)35(31(36)37)21-34-19-15-32-24(34)4/h6-11,15,19-20,22,25,29H,12-14,16-18,21H2,1-5H3
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4.90n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50478165
PNG
(CHEMBL408909)
Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ccccn3)c2=O)C(C)C)c1
Show InChI InChI=1S/C32H40N4O3/c1-23(2)30(39-31-21-27(38-4)13-12-24(31)3)16-20-34-18-14-26(15-19-34)36-29-11-6-5-10-28(29)35(32(36)37)22-25-9-7-8-17-33-25/h5-13,17,21,23,26,30H,14-16,18-20,22H2,1-4H3
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4.90n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 16: 2829-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.005
BindingDB Entry DOI: 10.7270/Q2C82D2D
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50200605
PNG
(1-ethoxymethyl-3-{1-[3-(5-methoxy-2-methylphenoxy)...)
Show SMILES CCOCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
Show InChI InChI=1S/C29H41N3O4/c1-6-35-20-31-25-9-7-8-10-26(25)32(29(31)33)23-13-16-30(17-14-23)18-15-27(21(2)3)36-28-19-24(34-5)12-11-22(28)4/h7-12,19,21,23,27H,6,13-18,20H2,1-5H3
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5n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem 15: 1828-47 (2007)


Article DOI: 10.1016/j.bmc.2006.11.030
BindingDB Entry DOI: 10.7270/Q27S7NF2
More data for this
Ligand-Target Pair
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