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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'smith' and Initial = 'ar'   
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))		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
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))		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))		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
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))		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))		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))		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))		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
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))		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))		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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PubMed
 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))		BDBM50311478
PNG
(2-{1-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
Show InChI InChI=1S/C25H38N4O3S/c1-26-25(30)18-28-17-21-8-4-5-9-24(21)29(33(28,31)32)22-12-14-27(15-13-22)23-11-10-19-6-2-3-7-20(19)16-23/h4-5,8-9,19-20,22-23H,2-3,6-7,10-18H2,1H3,(H,26,30)
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 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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50311473
PNG
(2-(8-(4-isopropylcyclohexyl)-1-oxo-4-phenyl-2,3,8-...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)C)C1=O |t:6,(32.48,6.39,;30.94,6.4,;30.17,5.06,;30.93,3.73,;28.63,5.07,;27.85,3.74,;28.33,2.27,;27.09,1.36,;27.1,-.17,;25.77,-.94,;25.77,-2.49,;27.1,-3.26,;28.44,-2.48,;28.43,-.93,;25.84,2.27,;25.06,3.61,;23.52,3.6,;22.75,2.26,;23.52,.93,;25.07,.93,;21.21,2.27,;20.44,3.61,;18.91,3.61,;18.13,2.28,;18.9,.94,;20.44,.94,;16.59,2.28,;15.82,3.62,;15.82,.95,;26.31,3.73,;25.4,4.98,)|
Show InChI InChI=1S/C25H36N4O2/c1-18(2)19-9-11-21(12-10-19)28-15-13-25(14-16-28)23(20-7-5-4-6-8-20)27-29(24(25)31)17-22(30)26-3/h4-8,18-19,21H,9-17H2,1-3H3,(H,26,30)
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PubMed
 5.20n/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))		BDBM50311509
PNG
(2-(3-(1-(4,4-dimethylcyclohexyl)piperidin-4-yl)-2-...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(C)(C)CC2)c1=O
Show InChI InChI=1S/C23H34N4O2/c1-23(2)12-8-17(9-13-23)25-14-10-18(11-15-25)27-20-7-5-4-6-19(20)26(22(27)29)16-21(28)24-3/h4-7,17-18H,8-16H2,1-3H3,(H,24,28)
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 5.20n/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))		BDBM50311508
PNG
(2-(3-(1-(4-tert-butylcyclohexyl)piperidin-4-yl)-2-...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(CC2)C(C)(C)C)c1=O |(11.59,-20.2,;10.05,-20.19,;9.27,-21.51,;10.63,-22.22,;7.73,-21.5,;6.95,-22.83,;5.48,-23.3,;4.15,-22.54,;2.82,-23.31,;2.82,-24.85,;4.15,-25.63,;5.49,-24.85,;6.95,-25.32,;7.73,-26.65,;6.95,-27.98,;7.72,-29.31,;9.26,-29.32,;10.03,-27.98,;9.26,-26.64,;10.02,-30.65,;9.25,-31.97,;10.01,-33.3,;11.55,-33.31,;12.32,-31.98,;11.56,-30.64,;12.31,-34.65,;11.53,-35.98,;13.85,-34.66,;10.82,-35.04,;7.86,-24.07,;9.4,-24.07,)|
Show InChI InChI=1S/C25H38N4O2/c1-25(2,3)18-9-11-19(12-10-18)27-15-13-20(14-16-27)29-22-8-6-5-7-21(22)28(24(29)31)17-23(30)26-4/h5-8,18-20H,9-17H2,1-4H3,(H,26,30)
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 5.5n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50311479
PNG
(2-(8-(decahydronaphthalen-2-yl)-1-oxo-4-phenyl-2,3...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC3CCCCC3C2)C1=O |t:6|
Show InChI InChI=1S/C26H36N4O2/c1-27-23(31)18-30-25(32)26(24(28-30)20-8-3-2-4-9-20)13-15-29(16-14-26)22-12-11-19-7-5-6-10-21(19)17-22/h2-4,8-9,19,21-22H,5-7,10-18H2,1H3,(H,27,31)
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 5.80n/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))		BDBM50311489
PNG
(2-{3-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2...)
Show SMILES CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(3.05,-10.56,;1.51,-10.56,;.74,-11.9,;1.51,-13.23,;-.8,-11.9,;-1.57,-13.23,;-1.24,-14.73,;.1,-15.49,;.11,-17.04,;-1.23,-17.81,;-2.56,-17.04,;-2.56,-15.5,;-3.7,-14.48,;-5.03,-15.26,;-6.36,-14.5,;-7.69,-15.27,;-7.69,-16.81,;-6.35,-17.58,;-5.01,-16.8,;-9.02,-17.59,;-10.35,-16.82,;-11.68,-17.59,;-11.68,-19.13,;-10.35,-19.9,;-9.01,-19.13,;-13.02,-19.89,;-14.35,-19.12,;-13.03,-21.43,;-3.09,-13.08,;-2.7,-11.58,;-4.43,-12.31,)|
Show InChI InChI=1S/C23H36N4O3S/c1-17(2)18-8-10-19(11-9-18)25-14-12-20(13-15-25)27-22-7-5-4-6-21(22)26(31(27,29)30)16-23(28)24-3/h4-7,17-20H,8-16H2,1-3H3,(H,24,28)
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PubMed
 6.40n/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))		BDBM50311477
PNG
(2-{3-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl...)
Show SMILES CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
Show InChI InChI=1S/C24H36N4O3S/c1-25-24(29)17-27-22-8-4-5-9-23(22)28(32(27,30)31)20-12-14-26(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,25,29)
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PubMed
 7.10n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50311481
PNG
(2-(8-(4-tert-butylcyclohexyl)-1-oxo-4-phenyl-2,3,8...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |t:6,(25.94,-40.59,;24.4,-40.58,;23.63,-41.91,;24.4,-43.25,;22.09,-41.91,;21.32,-43.24,;21.8,-44.7,;20.55,-45.61,;20.56,-47.15,;19.24,-47.92,;19.23,-49.46,;20.57,-50.23,;21.9,-49.46,;21.9,-47.91,;19.3,-44.7,;18.52,-43.37,;16.98,-43.37,;16.21,-44.71,;16.99,-46.05,;18.54,-46.05,;14.67,-44.7,;13.9,-43.37,;12.37,-43.37,;11.6,-44.7,;12.37,-46.03,;13.91,-46.04,;10.06,-44.7,;9.29,-43.36,;9.28,-46.03,;10.46,-43.21,;19.78,-43.24,;18.87,-42,)|
Show InChI InChI=1S/C26H38N4O2/c1-25(2,3)20-10-12-21(13-11-20)29-16-14-26(15-17-29)23(19-8-6-5-7-9-19)28-30(24(26)32)18-22(31)27-4/h5-9,20-21H,10-18H2,1-4H3,(H,27,31)
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 7.30n/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))		BDBM50311479
PNG
(2-(8-(decahydronaphthalen-2-yl)-1-oxo-4-phenyl-2,3...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC3CCCCC3C2)C1=O |t:6|
Show InChI InChI=1S/C26H36N4O2/c1-27-23(31)18-30-25(32)26(24(28-30)20-8-3-2-4-9-20)13-15-29(16-14-26)22-12-11-19-7-5-6-10-21(19)17-22/h2-4,8-9,19,21-22H,5-7,10-18H2,1H3,(H,27,31)
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 7.70n/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))		BDBM50159902
PNG
(1-{1-[3-(2-Chloro-5-methyl-phenoxy)-3-phenyl-propy...)
Show SMILES Cc1ccc(Cl)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccccc2)c1
Show InChI InChI=1S/C28H30ClN3O2/c1-20-11-12-23(29)27(19-20)34-26(21-7-3-2-4-8-21)15-18-31-16-13-22(14-17-31)32-25-10-6-5-9-24(25)30-28(32)33/h2-12,19,22,26H,13-18H2,1H3,(H,30,33)
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 8.30n/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))		BDBM50159897
PNG
(1-{1-[3-(2-Chloro-5-methyl-phenoxy)-4-methyl-penty...)
Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(C)ccc1Cl
Show InChI InChI=1S/C25H32ClN3O2/c1-17(2)23(31-24-16-18(3)8-9-20(24)26)12-15-28-13-10-19(11-14-28)29-22-7-5-4-6-21(22)27-25(29)30/h4-9,16-17,19,23H,10-15H2,1-3H3,(H,27,30)
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PubMed
 10.8n/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))		BDBM50159897
PNG
(1-{1-[3-(2-Chloro-5-methyl-phenoxy)-4-methyl-penty...)
Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(C)ccc1Cl
Show InChI InChI=1S/C25H32ClN3O2/c1-17(2)23(31-24-16-18(3)8-9-20(24)26)12-15-28-13-10-19(11-14-28)29-22-7-5-4-6-21(22)27-25(29)30/h4-9,16-17,19,23H,10-15H2,1-3H3,(H,27,30)
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 11n/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
Mu-type opioid 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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 11n/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))		BDBM50311473
PNG
(2-(8-(4-isopropylcyclohexyl)-1-oxo-4-phenyl-2,3,8-...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)C)C1=O |t:6,(32.48,6.39,;30.94,6.4,;30.17,5.06,;30.93,3.73,;28.63,5.07,;27.85,3.74,;28.33,2.27,;27.09,1.36,;27.1,-.17,;25.77,-.94,;25.77,-2.49,;27.1,-3.26,;28.44,-2.48,;28.43,-.93,;25.84,2.27,;25.06,3.61,;23.52,3.6,;22.75,2.26,;23.52,.93,;25.07,.93,;21.21,2.27,;20.44,3.61,;18.91,3.61,;18.13,2.28,;18.9,.94,;20.44,.94,;16.59,2.28,;15.82,3.62,;15.82,.95,;26.31,3.73,;25.4,4.98,)|
Show InChI InChI=1S/C25H36N4O2/c1-18(2)19-9-11-21(12-10-19)28-15-13-25(14-16-28)23(20-7-5-4-6-8-20)27-29(24(25)31)17-22(30)26-3/h4-8,18-19,21H,9-17H2,1-3H3,(H,26,30)
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 11n/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))		BDBM50159921
PNG
(1-{1-[3-(2,5-Dimethyl-phenoxy)-4-methyl-pentyl]-pi...)
Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(C)ccc1C
Show InChI InChI=1S/C26H35N3O2/c1-18(2)24(31-25-17-19(3)9-10-20(25)4)13-16-28-14-11-21(12-15-28)29-23-8-6-5-7-22(23)27-26(29)30/h5-10,17-18,21,24H,11-16H2,1-4H3,(H,27,30)
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 11n/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
Mu-type opioid 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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 12n/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))		BDBM50159904
PNG
(1-(1-{2-[1-(2-Chloro-5-methyl-phenoxy)-cyclohexyl]...)
Show SMILES Cc1ccc(Cl)c(OC2(CCCCC2)C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C27H34ClN3O3/c1-19-9-10-21(28)24(17-19)34-27(13-5-2-6-14-27)25(32)18-30-15-11-20(12-16-30)31-23-8-4-3-7-22(23)29-26(31)33/h3-4,7-10,17,20,25,32H,2,5-6,11-16,18H2,1H3,(H,29,33)
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 12n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50311478
PNG
(2-{1-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
Show InChI InChI=1S/C25H38N4O3S/c1-26-25(30)18-28-17-21-8-4-5-9-24(21)29(33(28,31)32)22-12-14-27(15-13-22)23-11-10-19-6-2-3-7-20(19)16-23/h4-5,8-9,19-20,22-23H,2-3,6-7,10-18H2,1H3,(H,26,30)
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 14n/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))		BDBM50159900
PNG
(1-{1-[3-(5-Amino-2-methyl-phenoxy)-4-methyl-pentyl...)
Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(N)ccc1C
Show InChI InChI=1S/C25H34N4O2/c1-17(2)23(31-24-16-19(26)9-8-18(24)3)12-15-28-13-10-20(11-14-28)29-22-7-5-4-6-21(22)27-25(29)30/h4-9,16-17,20,23H,10-15,26H2,1-3H3,(H,27,30)
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 14n/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))		BDBM50311513
PNG
(2-(3-(1-cyclooctylpiperidin-4-yl)-2-oxo-2,3-dihydr...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C23H34N4O2/c1-24-22(28)17-26-20-11-7-8-12-21(20)27(23(26)29)19-13-15-25(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-17H2,1H3,(H,24,28)
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 15n/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))		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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 16n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50159902
PNG
(1-{1-[3-(2-Chloro-5-methyl-phenoxy)-3-phenyl-propy...)
Show SMILES Cc1ccc(Cl)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccccc2)c1
Show InChI InChI=1S/C28H30ClN3O2/c1-20-11-12-23(29)27(19-20)34-26(21-7-3-2-4-8-21)15-18-31-16-13-22(14-17-31)32-25-10-6-5-9-24(25)30-28(32)33/h2-12,19,22,26H,13-18H2,1H3,(H,30,33)
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 16.7n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor mu 1 was determined by using [3H]-diprenorphine 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))		BDBM50311496
PNG
(2-(3-(1-((4-methoxynaphthalen-1-yl)methyl)piperidi...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c1=O
Show InChI InChI=1S/C27H30N4O3/c1-28-26(32)18-30-23-9-5-6-10-24(23)31(27(30)33)20-13-15-29(16-14-20)17-19-11-12-25(34-2)22-8-4-3-7-21(19)22/h3-12,20H,13-18H2,1-2H3,(H,28,32)
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 18n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50311480
PNG
(CHEMBL1079941 | N-methyl-2-(1-(1-((4-methylnaphtha...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O
Show InChI InChI=1S/C28H32N4O2/c1-20-11-12-21(25-9-5-4-8-24(20)25)17-30-15-13-23(14-16-30)32-26-10-6-3-7-22(26)18-31(28(32)34)19-27(33)29-2/h3-12,23H,13-19H2,1-2H3,(H,29,33)
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 19n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50159913
PNG
(1-{1-[3-(2-Isopropyl-phenoxy)-4-methyl-pentyl]-pip...)
Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C(C)C
Show InChI InChI=1S/C27H37N3O2/c1-19(2)22-9-5-8-12-26(22)32-25(20(3)4)15-18-29-16-13-21(14-17-29)30-24-11-7-6-10-23(24)28-27(30)31/h5-12,19-21,25H,13-18H2,1-4H3,(H,28,31)
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 20n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor mu 1 was determined by using [3H]-diprenorphine 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))		BDBM50159915
PNG
(1-{1-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxy-hexy...)
Show SMILES CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32ClN3O3/c1-3-6-23(32-24-15-17(2)9-10-19(24)26)22(30)16-28-13-11-18(12-14-28)29-21-8-5-4-7-20(21)27-25(29)31/h4-5,7-10,15,18,22-23,30H,3,6,11-14,16H2,1-2H3,(H,27,31)
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 20n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50159916
PNG
(1-[1-(4-Methyl-3-o-tolyloxy-pentyl)-piperidin-4-yl...)
Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C
Show InChI InChI=1S/C25H33N3O2/c1-18(2)23(30-24-11-7-4-8-19(24)3)14-17-27-15-12-20(13-16-27)28-22-10-6-5-9-21(22)26-25(28)29/h4-11,18,20,23H,12-17H2,1-3H3,(H,26,29)
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 21n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor mu 1 was determined by using [3H]-diprenorphine 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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50311490
PNG
(2-(1-(1-(4-isopropylcyclohexyl)piperidin-4-yl)-2-o...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |(14.47,8.87,;13.14,8.09,;13.14,6.55,;14.47,5.78,;11.81,5.78,;11.81,4.24,;13.13,3.47,;13.14,1.95,;14.48,1.2,;14.48,-.35,;13.14,-1.13,;11.81,-.35,;11.81,1.19,;10.49,1.94,;9.16,1.17,;7.82,1.94,;6.5,1.17,;6.49,-.37,;7.83,-1.14,;9.17,-.37,;5.16,-1.14,;3.82,-.36,;2.49,-1.13,;2.49,-2.67,;3.82,-3.44,;5.16,-2.67,;1.15,-3.43,;-.18,-2.66,;1.14,-4.97,;10.49,3.47,;9.15,4.24,)|
Show InChI InChI=1S/C25H38N4O2/c1-18(2)19-8-10-21(11-9-19)27-14-12-22(13-15-27)29-23-7-5-4-6-20(23)16-28(25(29)31)17-24(30)26-3/h4-7,18-19,21-22H,8-17H2,1-3H3,(H,26,30)
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 21n/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))		BDBM50311490
PNG
(2-(1-(1-(4-isopropylcyclohexyl)piperidin-4-yl)-2-o...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |(14.47,8.87,;13.14,8.09,;13.14,6.55,;14.47,5.78,;11.81,5.78,;11.81,4.24,;13.13,3.47,;13.14,1.95,;14.48,1.2,;14.48,-.35,;13.14,-1.13,;11.81,-.35,;11.81,1.19,;10.49,1.94,;9.16,1.17,;7.82,1.94,;6.5,1.17,;6.49,-.37,;7.83,-1.14,;9.17,-.37,;5.16,-1.14,;3.82,-.36,;2.49,-1.13,;2.49,-2.67,;3.82,-3.44,;5.16,-2.67,;1.15,-3.43,;-.18,-2.66,;1.14,-4.97,;10.49,3.47,;9.15,4.24,)|
Show InChI InChI=1S/C25H38N4O2/c1-18(2)19-8-10-21(11-9-19)27-14-12-22(13-15-27)29-23-7-5-4-6-20(23)16-28(25(29)31)17-24(30)26-3/h4-7,18-19,21-22H,8-17H2,1-3H3,(H,26,30)
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 21n/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))		BDBM50311480
PNG
(CHEMBL1079941 | N-methyl-2-(1-(1-((4-methylnaphtha...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O
Show InChI InChI=1S/C28H32N4O2/c1-20-11-12-21(25-9-5-4-8-24(20)25)17-30-15-13-23(14-16-30)32-26-10-6-3-7-22(26)18-31(28(32)34)19-27(33)29-2/h3-12,23H,13-19H2,1-2H3,(H,29,33)
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 22n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50159905
PNG
(1-{1-[3-(2-Ethyl-phenoxy)-4-methyl-pentyl]-piperid...)
Show SMILES CCc1ccccc1OC(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C(C)C
Show InChI InChI=1S/C26H35N3O2/c1-4-20-9-5-8-12-25(20)31-24(19(2)3)15-18-28-16-13-21(14-17-28)29-23-11-7-6-10-22(23)27-26(29)30/h5-12,19,21,24H,4,13-18H2,1-3H3,(H,27,30)
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 23n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor mu 1 was determined by using [3H]-diprenorphine 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))		BDBM50159922
PNG
(1-{1-[4-Methyl-3-(2-trifluoromethyl-phenoxy)-penty...)
Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H30F3N3O2/c1-17(2)22(33-23-10-6-3-7-19(23)25(26,27)28)13-16-30-14-11-18(12-15-30)31-21-9-5-4-8-20(21)29-24(31)32/h3-10,17-18,22H,11-16H2,1-2H3,(H,29,32)
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 24n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50159922
PNG
(1-{1-[4-Methyl-3-(2-trifluoromethyl-phenoxy)-penty...)
Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H30F3N3O2/c1-17(2)22(33-23-10-6-3-7-19(23)25(26,27)28)13-16-30-14-11-18(12-15-30)31-21-9-5-4-8-20(21)29-24(31)32/h3-10,17-18,22H,11-16H2,1-2H3,(H,29,32)
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 24n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor mu 1 was determined by using [3H]-diprenorphine 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))		BDBM50159917
PNG
(1-{1-[3-(2-Fluoro-5-methyl-phenoxy)-4-methyl-penty...)
Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(C)ccc1F
Show InChI InChI=1S/C25H32FN3O2/c1-17(2)23(31-24-16-18(3)8-9-20(24)26)12-15-28-13-10-19(11-14-28)29-22-7-5-4-6-21(22)27-25(29)30/h4-9,16-17,19,23H,10-15H2,1-3H3,(H,27,30)
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 25n/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
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