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PubMed code 17420123

Compile Data Set for Download or QSAR

Found 219 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210235
PNG
(4-(2-(aminomethyl)phenyl)-1-(1-phenylpentyl)piperi...)
Show SMILES CCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:4.3|
Show InChI InChI=1S/C23H32N2O/c1-2-3-13-22(19-9-5-4-6-10-19)25-16-14-23(26,15-17-25)21-12-8-7-11-20(21)18-24/h4-12,22,26H,2-3,13-18,24H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210247
PNG
(4-(2-(aminomethyl)phenyl)-1-(1-phenylhexyl)piperid...)
Show SMILES CCCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:5.4|
Show InChI InChI=1S/C24H34N2O/c1-2-3-5-14-23(20-10-6-4-7-11-20)26-17-15-24(27,16-18-26)22-13-9-8-12-21(22)19-25/h4,6-13,23,27H,2-3,5,14-19,25H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210212
PNG
(4-(2-(aminomethyl)phenyl)-1-(bis(2-chlorophenyl)me...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
Show InChI InChI=1S/C25H26Cl2N2O/c26-22-11-5-2-8-19(22)24(20-9-3-6-12-23(20)27)29-15-13-25(30,14-16-29)21-10-4-1-7-18(21)17-28/h1-12,24,30H,13-17,28H2
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210229
PNG
(4-(2-(aminomethyl)phenyl)-1-((2-chlorophenyl)(phen...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Cl |w:15.16|
Show InChI InChI=1S/C25H27ClN2O/c26-23-13-7-5-11-21(23)24(19-8-2-1-3-9-19)28-16-14-25(29,15-17-28)22-12-6-4-10-20(22)18-27/h1-13,24,29H,14-18,27H2
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210206
PNG
(4-(2-(aminomethyl)phenyl)-1-(dio-tolylmethyl)piper...)
Show SMILES Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1C
Show InChI InChI=1S/C27H32N2O/c1-20-9-3-6-12-23(20)26(24-13-7-4-10-21(24)2)29-17-15-27(30,16-18-29)25-14-8-5-11-22(25)19-28/h3-14,26,30H,15-19,28H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210242
PNG
(4-(2-(aminomethyl)phenyl)-1-(bis(2-fluorophenyl)me...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C25H26F2N2O/c26-22-11-5-2-8-19(22)24(20-9-3-6-12-23(20)27)29-15-13-25(30,14-16-29)21-10-4-1-7-18(21)17-28/h1-12,24,30H,13-17,28H2
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210238
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-((4-(isopropyls...)
Show SMILES CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
Show InChI InChI=1S/C32H39Cl2N3O3S/c1-24(2)41(39,40)37-21-19-35(20-22-37)23-25-9-3-6-12-28(25)32(38)15-17-36(18-16-32)31(26-10-4-7-13-29(26)33)27-11-5-8-14-30(27)34/h3-14,24,31,38H,15-23H2,1-2H3
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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 [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210209
PNG
(4-(2-(aminomethyl)phenyl)-1-(phenyl(o-tolyl)methyl...)
Show SMILES Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:7.8|
Show InChI InChI=1S/C26H30N2O/c1-20-9-5-7-13-23(20)25(21-10-3-2-4-11-21)28-17-15-26(29,16-18-28)24-14-8-6-12-22(24)19-27/h2-14,25,29H,15-19,27H2,1H3
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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 [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210246
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-((methylamino)m...)
Show SMILES CNCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
Show InChI InChI=1S/C26H28Cl2N2O/c1-29-18-19-8-2-5-11-22(19)26(31)14-16-30(17-15-26)25(20-9-3-6-12-23(20)27)21-10-4-7-13-24(21)28/h2-13,25,29,31H,14-18H2,1H3
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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 [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210214
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-((4-(ethylsulfo...)
Show SMILES CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
Show InChI InChI=1S/C31H37Cl2N3O3S/c1-2-40(38,39)36-21-19-34(20-22-36)23-24-9-3-6-12-27(24)31(37)15-17-35(18-16-31)30(25-10-4-7-13-28(25)32)26-11-5-8-14-29(26)33/h3-14,30,37H,2,15-23H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210211
PNG
(4-(2-(aminomethyl)phenyl)-1-((2-bromophenyl)(pheny...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Br |w:15.16|
Show InChI InChI=1S/C25H27BrN2O/c26-23-13-7-5-11-21(23)24(19-8-2-1-3-9-19)28-16-14-25(29,15-17-28)22-12-6-4-10-20(22)18-27/h1-13,24,29H,14-18,27H2
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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 [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210208
PNG
(4-(2-(aminomethyl)phenyl)-1-benzhydrylpiperidin-4-...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H28N2O/c26-19-22-13-7-8-14-23(22)25(28)15-17-27(18-16-25)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24,28H,15-19,26H2
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210208
PNG
(4-(2-(aminomethyl)phenyl)-1-benzhydrylpiperidin-4-...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H28N2O/c26-19-22-13-7-8-14-23(22)25(28)15-17-27(18-16-25)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24,28H,15-19,26H2
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210245
PNG
(4-(2-(aminomethyl)phenyl)-1-(bis(2-bromophenyl)met...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Br)c1ccccc1Br
Show InChI InChI=1S/C25H26Br2N2O/c26-22-11-5-2-8-19(22)24(20-9-3-6-12-23(20)27)29-15-13-25(30,14-16-29)21-10-4-1-7-18(21)17-28/h1-12,24,30H,13-17,28H2
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210221
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-(piperazin-1-yl...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCNCC1
Show InChI InChI=1S/C29H33Cl2N3O/c30-26-11-5-2-8-23(26)28(24-9-3-6-12-27(24)31)34-17-13-29(35,14-18-34)25-10-4-1-7-22(25)21-33-19-15-32-16-20-33/h1-12,28,32,35H,13-21H2
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210234
PNG
(1-(2-(1-(bis(2-chlorophenyl)methyl)-4-hydroxypiper...)
Show SMILES CNC(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
Show InChI InChI=1S/C27H29Cl2N3O2/c1-30-26(33)31-18-19-8-2-5-11-22(19)27(34)14-16-32(17-15-27)25(20-9-3-6-12-23(20)28)21-10-4-7-13-24(21)29/h2-13,25,34H,14-18H2,1H3,(H2,30,31,33)
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210235
PNG
(4-(2-(aminomethyl)phenyl)-1-(1-phenylpentyl)piperi...)
Show SMILES CCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:4.3|
Show InChI InChI=1S/C23H32N2O/c1-2-3-13-22(19-9-5-4-6-10-19)25-16-14-23(26,15-17-25)21-12-8-7-11-20(21)18-24/h4-12,22,26H,2-3,13-18,24H2,1H3
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2n/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 CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210247
PNG
(4-(2-(aminomethyl)phenyl)-1-(1-phenylhexyl)piperid...)
Show SMILES CCCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:5.4|
Show InChI InChI=1S/C24H34N2O/c1-2-3-5-14-23(20-10-6-4-7-11-20)26-17-15-24(27,16-18-26)22-13-9-8-12-21(22)19-25/h4,6-13,23,27H,2-3,5,14-19,25H2,1H3
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2n/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 CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210240
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-((4-methylpiper...)
Show SMILES CN1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
Show InChI InChI=1S/C30H35Cl2N3O/c1-33-18-20-34(21-19-33)22-23-8-2-5-11-26(23)30(36)14-16-35(17-15-30)29(24-9-3-6-12-27(24)31)25-10-4-7-13-28(25)32/h2-13,29,36H,14-22H2,1H3
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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 [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210236
PNG
(CHEMBL437177 | N-(2-(1-(bis(2-chlorophenyl)methyl)...)
Show SMILES CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
Show InChI InChI=1S/C28H32Cl2N2O3S/c1-20(2)36(34,35)31-19-21-9-3-6-12-24(21)28(33)15-17-32(18-16-28)27(22-10-4-7-13-25(22)29)23-11-5-8-14-26(23)30/h3-14,20,27,31,33H,15-19H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210197
PNG
(4-(2-(aminomethyl)phenyl)-1-(cycloheptylmethyl)pip...)
Show SMILES NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1
Show InChI InChI=1S/C20H32N2O/c21-15-18-9-5-6-10-19(18)20(23)11-13-22(14-12-20)16-17-7-3-1-2-4-8-17/h5-6,9-10,17,23H,1-4,7-8,11-16,21H2
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4.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210217
PNG
(4-(2-(aminomethyl)phenyl)-1-(4,4-dimethyl-1,2,3,4-...)
Show SMILES CC1(C)CCC(N2CCC(O)(CC2)c2ccccc2CN)c2ccccc12 |w:5.5|
Show InChI InChI=1S/C24H32N2O/c1-23(2)12-11-22(19-8-4-6-10-21(19)23)26-15-13-24(27,14-16-26)20-9-5-3-7-18(20)17-25/h3-10,22,27H,11-17,25H2,1-2H3
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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 [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210203
PNG
(1-(bis(2-chlorophenyl)methyl)-4-(2-(morpholinometh...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCOCC1
Show InChI InChI=1S/C29H32Cl2N2O2/c30-26-11-5-2-8-23(26)28(24-9-3-6-12-27(24)31)33-15-13-29(34,14-16-33)25-10-4-1-7-22(25)21-32-17-19-35-20-18-32/h1-12,28,34H,13-21H2
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5.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210216
PNG
(4-(2-(aminomethyl)phenyl)-1-(bis(3-fluorophenyl)me...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C25H26F2N2O/c26-21-8-3-6-18(15-21)24(19-7-4-9-22(27)16-19)29-13-11-25(30,12-14-29)23-10-2-1-5-20(23)17-28/h1-10,15-16,24,30H,11-14,17,28H2
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9.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210224
PNG
(1-benzhydryl-4-o-tolylpiperidin-4-ol | CHEMBL23227...)
Show SMILES Cc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO/c1-20-10-8-9-15-23(20)25(27)16-18-26(19-17-25)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,24,27H,16-19H2,1H3
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210225
PNG
(1-(2-(1-(bis(2-chlorophenyl)methyl)-4-hydroxypiper...)
Show SMILES CCNC(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
Show InChI InChI=1S/C28H31Cl2N3O2/c1-2-31-27(34)32-19-20-9-3-6-12-23(20)28(35)15-17-33(18-16-28)26(21-10-4-7-13-24(21)29)22-11-5-8-14-25(22)30/h3-14,26,35H,2,15-19H2,1H3,(H2,31,32,34)
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12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210223
PNG
(1-benzhydryl-4-phenylpiperidin-4-ol | CHEMBL228690)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO/c26-24(22-14-8-3-9-15-22)16-18-25(19-17-24)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23,26H,16-19H2
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210249
PNG
(1-benzhydryl-4-(4-fluorophenyl)piperidin-4-ol | CH...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H24FNO/c25-22-13-11-21(12-14-22)24(27)15-17-26(18-16-24)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23,27H,15-18H2
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50210235
PNG
(4-(2-(aminomethyl)phenyl)-1-(1-phenylpentyl)piperi...)
Show SMILES CCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:4.3|
Show InChI InChI=1S/C23H32N2O/c1-2-3-13-22(19-9-5-4-6-10-19)25-16-14-23(26,15-17-25)21-12-8-7-11-20(21)18-24/h4-12,22,26H,2-3,13-18,24H2,1H3
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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]diprenorphine from human KOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210231
PNG
(CHEMBL232478 | N-(2-(1-(bis(2-chlorophenyl)methyl)...)
Show SMILES CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
Show InChI InChI=1S/C28H32Cl2N2O3S/c1-2-19-36(34,35)31-20-21-9-3-6-12-24(21)28(33)15-17-32(18-16-28)27(22-10-4-7-13-25(22)29)23-11-5-8-14-26(23)30/h3-14,27,31,33H,2,15-20H2,1H3
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210241
PNG
(1-benzhydryl-4-(3-methylthiophen-2-yl)piperidin-4-...)
Show SMILES Cc1ccsc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NOS/c1-18-12-17-26-22(18)23(25)13-15-24(16-14-23)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,17,21,25H,13-16H2,1H3
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210227
PNG
(1-benzhydryl-4-(2-(hydroxymethyl)phenyl)piperidin-...)
Show SMILES OCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c27-19-22-13-7-8-14-23(22)25(28)15-17-26(18-16-25)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24,27-28H,15-19H2
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210226
PNG
(1-benzhydryl-4-cyclohexylpiperidin-4-ol | CHEMBL39...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C24H31NO/c26-24(22-14-8-3-9-15-22)16-18-25(19-17-24)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-23,26H,3,8-9,14-19H2
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17n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210250
PNG
(1-benzhydryl-4-(3-fluorophenyl)piperidin-4-ol | CH...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccc(F)c1
Show InChI InChI=1S/C24H24FNO/c25-22-13-7-12-21(18-22)24(27)14-16-26(17-15-24)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23,27H,14-17H2
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23n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210202
PNG
(1-benzhydryl-4-butylpiperidin-4-ol | CHEMBL397761)
Show SMILES CCCCC1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H29NO/c1-2-3-14-22(24)15-17-23(18-16-22)21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21,24H,2-3,14-18H2,1H3
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23n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210199
PNG
(1-benzhydryl-4-(4-chlorophenyl)piperidin-4-ol | CH...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClNO/c25-22-13-11-21(12-14-22)24(27)15-17-26(18-16-24)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23,27H,15-18H2
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24n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210213
PNG
(1-benzhydryl-4-m-tolylpiperidin-4-ol | CHEMBL43738...)
Show SMILES Cc1cccc(c1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO/c1-20-9-8-14-23(19-20)25(27)15-17-26(18-16-25)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,19,24,27H,15-18H2,1H3
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27n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210209
PNG
(4-(2-(aminomethyl)phenyl)-1-(phenyl(o-tolyl)methyl...)
Show SMILES Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:7.8|
Show InChI InChI=1S/C26H30N2O/c1-20-9-5-7-13-23(20)25(21-10-3-2-4-11-21)28-17-15-26(29,16-18-28)24-14-8-6-12-22(24)19-27/h2-14,25,29H,15-19,27H2,1H3
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28n/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 CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50210247
PNG
(4-(2-(aminomethyl)phenyl)-1-(1-phenylhexyl)piperid...)
Show SMILES CCCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:5.4|
Show InChI InChI=1S/C24H34N2O/c1-2-3-5-14-23(20-10-6-4-7-11-20)26-17-15-24(27,16-18-26)22-13-9-8-12-21(22)19-25/h4,6-13,23,27H,2-3,5,14-19,25H2,1H3
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30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210233
PNG
(1-benzhydryl-4-(2-fluorophenyl)piperidin-4-ol | CH...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1F
Show InChI InChI=1S/C24H24FNO/c25-22-14-8-7-13-21(22)24(27)15-17-26(18-16-24)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23,27H,15-18H2
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34n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210242
PNG
(4-(2-(aminomethyl)phenyl)-1-(bis(2-fluorophenyl)me...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C25H26F2N2O/c26-22-11-5-2-8-19(22)24(20-9-3-6-12-23(20)27)29-15-13-25(30,14-16-29)21-10-4-1-7-18(21)17-28/h1-12,24,30H,13-17,28H2
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37n/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 CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210230
PNG
(1-benzhydryl-4-(thiophen-2-yl)piperidin-4-ol | CHE...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C22H23NOS/c24-22(20-12-7-17-25-20)13-15-23(16-14-22)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21,24H,13-16H2
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48n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210228
PNG
(1-benzhydryl-4-(4-bromophenyl)piperidin-4-ol | CHE...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H24BrNO/c25-22-13-11-21(12-14-22)24(27)15-17-26(18-16-24)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23,27H,15-18H2
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51n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210232
PNG
(1-benzhydryl-4-p-tolylpiperidin-4-ol | CHEMBL39398...)
Show SMILES Cc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO/c1-20-12-14-23(15-13-20)25(27)16-18-26(19-17-25)24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24,27H,16-19H2,1H3
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55n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210196
PNG
(1-benzhydryl-4-tert-butylpiperidin-4-ol | CHEMBL23...)
Show SMILES CC(C)(C)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H29NO/c1-21(2,3)22(24)14-16-23(17-15-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20,24H,14-17H2,1-3H3
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62n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210211
PNG
(4-(2-(aminomethyl)phenyl)-1-((2-bromophenyl)(pheny...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Br |w:15.16|
Show InChI InChI=1S/C25H27BrN2O/c26-23-13-7-5-11-21(23)24(19-8-2-1-3-9-19)28-16-14-25(29,15-17-28)22-12-6-4-10-20(22)18-27/h1-13,24,29H,14-18,27H2
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72n/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 CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210229
PNG
(4-(2-(aminomethyl)phenyl)-1-((2-chlorophenyl)(phen...)
Show SMILES NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Cl |w:15.16|
Show InChI InChI=1S/C25H27ClN2O/c26-23-13-7-5-11-21(23)24(19-8-2-1-3-9-19)28-16-14-25(29,15-17-28)22-12-6-4-10-20(22)18-27/h1-13,24,29H,14-18,27H2
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72n/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 CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210224
PNG
(1-benzhydryl-4-o-tolylpiperidin-4-ol | CHEMBL23227...)
Show SMILES Cc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO/c1-20-10-8-9-15-23(20)25(27)16-18-26(19-17-25)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,24,27H,16-19H2,1H3
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74n/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 CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210239
PNG
(1-benzhydryl-4-(2-methoxyphenyl)piperidin-4-ol | C...)
Show SMILES COc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-28-23-15-9-8-14-22(23)25(27)16-18-26(19-17-25)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24,27H,16-19H2,1H3
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85n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210243
PNG
(4-(2-(aminomethyl)phenyl)-1-(dip-tolylmethyl)piper...)
Show SMILES Cc1ccc(cc1)C(N1CCC(O)(CC1)c1ccccc1CN)c1ccc(C)cc1
Show InChI InChI=1S/C27H32N2O/c1-20-7-11-22(12-8-20)26(23-13-9-21(2)10-14-23)29-17-15-27(30,16-18-29)25-6-4-3-5-24(25)19-28/h3-14,26,30H,15-19,28H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3028-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.062
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%