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Compile Data Set for Download or QSAR

Found 1712 hits with Last Name = 'ho' and Initial = 'gd'   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364330
PNG
(CHEMBL1949936)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccncc3)c2c1
Show InChI InChI=1S/C19H18N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9,18,24H,1-3H3,(H,21,22,23)
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0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364327
PNG
(CHEMBL1949939)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccnc(F)c3)c2c1
Show InChI InChI=1S/C19H17FN4O2/c1-9-6-12(26-3)8-13-16(18(25)11-4-5-21-14(20)7-11)15-10(2)23-24-19(15)22-17(9)13/h4-8,18,25H,1-3H3,(H,22,23,24)
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0.0700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364339
PNG
(CHEMBL1950085)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccncc3)c12
Show InChI InChI=1S/C18H15ClN4O/c1-9-7-12(19)8-13-15(17(24)11-3-5-20-6-4-11)14-10(2)22-23-18(14)21-16(9)13/h3-8,17,24H,1-2H3,(H,21,22,23)
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364340
PNG
(CHEMBL1950084)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(F)c3ccncc3)c2c1
Show InChI InChI=1S/C19H17FN4O/c1-10-8-13(25-3)9-14-16(17(20)12-4-6-21-7-5-12)15-11(2)23-24-19(15)22-18(10)14/h4-9,17H,1-3H3,(H,22,23,24)
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258880
PNG
(8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...)
Show SMILES Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11|
Show InChI InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364335
PNG
(CHEMBL1950089)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ncco3)c12
Show InChI InChI=1S/C16H13ClN4O2/c1-7-5-9(17)6-10-12(14(22)16-18-3-4-23-16)11-8(2)20-21-15(11)19-13(7)10/h3-6,14,22H,1-2H3,(H,19,20,21)
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362726
PNG
(CHEMBL1939796)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCC(CN)CC3)c2c1
Show InChI InChI=1S/C19H25N5O/c1-11-8-14(25-3)9-15-17(11)21-19-16(12(2)22-23-19)18(15)24-6-4-13(10-20)5-7-24/h8-9,13H,4-7,10,20H2,1-3H3,(H,21,22,23)
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364332
PNG
(CHEMBL1949940)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ncco3)c2c1
Show InChI InChI=1S/C17H16N4O3/c1-8-6-10(23-3)7-11-13(15(22)17-18-4-5-24-17)12-9(2)20-21-16(12)19-14(8)11/h4-7,15,22H,1-3H3,(H,19,20,21)
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210400
PNG
(1-((2-ethylphenyl)(phenyl)methyl)-4-phenylpiperidi...)
Show SMILES CCc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
Show InChI InChI=1S/C26H29NO/c1-2-21-11-9-10-16-24(21)25(22-12-5-3-6-13-22)27-19-17-26(28,18-20-27)23-14-7-4-8-15-23/h3-16,25,28H,2,17-20H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 3023-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.061
BindingDB Entry DOI: 10.7270/Q24B3242
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362722
PNG
(CHEMBL1939800)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCc3ccncc3)c2c1
Show InChI InChI=1S/C19H19N5O/c1-11-8-14(25-3)9-15-17(11)22-19-16(12(2)23-24-19)18(15)21-10-13-4-6-20-7-5-13/h4-9H,10H2,1-3H3,(H2,21,22,23,24)
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210383
PNG
(4-phenyl-1-(phenyl(o-tolyl)methyl)piperidin-4-ol |...)
Show SMILES Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
Show InChI InChI=1S/C25H27NO/c1-20-10-8-9-15-23(20)24(21-11-4-2-5-12-21)26-18-16-25(27,17-19-26)22-13-6-3-7-14-22/h2-15,24,27H,16-19H2,1H3
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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][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 3023-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.061
BindingDB Entry DOI: 10.7270/Q24B3242
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364346
PNG
(CHEMBL1950083)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(=O)c3ccncc3)c2c1
Show InChI InChI=1S/C19H16N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9H,1-3H3,(H,21,22,23)
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210393
PNG
(1-((2-methoxyphenyl)(phenyl)methyl)-4-phenylpiperi...)
Show SMILES COc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
Show InChI InChI=1S/C25H27NO2/c1-28-23-15-9-8-14-22(23)24(20-10-4-2-5-11-20)26-18-16-25(27,17-19-26)21-12-6-3-7-13-21/h2-15,24,27H,16-19H2,1H3
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 3023-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.061
BindingDB Entry DOI: 10.7270/Q24B3242
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362728
PNG
(CHEMBL1939794)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCC(N)CC3)c2c1
Show InChI InChI=1S/C18H23N5O/c1-10-8-13(24-3)9-14-16(10)20-18-15(11(2)21-22-18)17(14)23-6-4-12(19)5-7-23/h8-9,12H,4-7,19H2,1-3H3,(H,20,21,22)
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364336
PNG
(CHEMBL1950088)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccnc(F)c3)c12
Show InChI InChI=1S/C18H14ClFN4O/c1-8-5-11(19)7-12-15(17(25)10-3-4-21-13(20)6-10)14-9(2)23-24-18(14)22-16(8)12/h3-7,17,25H,1-2H3,(H,22,23,24)
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50380636
PNG
(CHEMBL2017060)
Show SMILES COc1cc2CCn3cnc(-c4cnc(s4)C(=O)N4CCCOCC4)c3-c2cc1OC
Show InChI InChI=1S/C22H24N4O4S/c1-28-16-10-14-4-6-26-13-24-19(20(26)15(14)11-17(16)29-2)18-12-23-21(31-18)22(27)25-5-3-8-30-9-7-25/h10-13H,3-9H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay


Bioorg Med Chem Lett 22: 2585-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.113
BindingDB Entry DOI: 10.7270/Q2319WX5
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Show InChI InChI=1S/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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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 [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259056
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCC2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C26H31Cl2NO/c1-17-10-13-22(24(28)14-17)25(21-8-4-5-9-23(21)27)29-19-11-12-20(29)16-26(30,15-19)18-6-2-3-7-18/h4-5,8-10,13-14,18-20,25,30H,2-3,6-7,11-12,15-16H2,1H3
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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 from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210383
PNG
(4-phenyl-1-(phenyl(o-tolyl)methyl)piperidin-4-ol |...)
Show SMILES Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
Show InChI InChI=1S/C25H27NO/c1-20-10-8-9-15-23(20)24(21-11-4-2-5-12-21)26-18-16-25(27,17-19-26)22-13-6-3-7-14-22/h2-15,24,27H,16-19H2,1H3
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 17: 3023-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.061
BindingDB Entry DOI: 10.7270/Q24B3242
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364344
PNG
(CHEMBL1950078)
Show SMILES COc1ccc(cc1)C(O)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12
Show InChI InChI=1S/C21H21N3O3/c1-11-9-15(27-4)10-16-18(17-12(2)23-24-21(17)22-19(11)16)20(25)13-5-7-14(26-3)8-6-13/h5-10,20,25H,1-4H3,(H,22,23,24)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364342
PNG
(CHEMBL1950081)
Show SMILES COc1ccc(cc1)C(C#N)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12
Show InChI InChI=1S/C22H20N4O2/c1-12-9-16(28-4)10-17-20(19-13(2)25-26-22(19)24-21(12)17)18(11-23)14-5-7-15(27-3)8-6-14/h5-10,18H,1-4H3,(H,24,25,26)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210375
PNG
(1-(bis(2-chlorophenyl)methyl)-4-phenylpiperidin-4-...)
Show SMILES OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C24H23Cl2NO/c25-21-12-6-4-10-19(21)23(20-11-5-7-13-22(20)26)27-16-14-24(28,15-17-27)18-8-2-1-3-9-18/h1-13,23,28H,14-17H2
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 3023-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.061
BindingDB Entry DOI: 10.7270/Q24B3242
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364345
PNG
(CHEMBL1949942)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncs3)c2c1
Show InChI InChI=1S/C17H16N4O2S/c1-8-4-10(23-3)5-11-14(16(22)12-6-18-7-24-12)13-9(2)20-21-17(13)19-15(8)11/h4-7,16,22H,1-3H3,(H,19,20,21)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259239
PNG
(1-(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabic...)
Show SMILES CNC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
Show InChI InChI=1S/C28H29Cl2N3O/c1-31-27(34)32-28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)33(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H2,31,32,34)
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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 from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
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
BindingDB Entry DOI: 10.7270/Q2Z31ZBS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258878
PNG
(8-benzhydryl-3-phenyl-8-azabicyclo[3.2.1]octan-3-o...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H27NO/c28-26(22-14-8-3-9-15-22)18-23-16-17-24(19-26)27(23)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23-25,28H,16-19H2
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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 [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259053
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2cccc(F)c2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Show InChI InChI=1S/C27H26Cl2FNO/c1-17-9-12-23(25(29)13-17)26(22-7-2-3-8-24(22)28)31-20-10-11-21(31)16-27(32,15-20)18-5-4-6-19(30)14-18/h2-9,12-14,20-21,26,32H,10-11,15-16H2,1H3
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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 [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50362725
PNG
(CHEMBL1939797)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCC(CC3)C(N)=O)c2c1
Show InChI InChI=1S/C19H23N5O2/c1-10-8-13(26-3)9-14-16(10)21-19-15(11(2)22-23-19)17(14)24-6-4-12(5-7-24)18(20)25/h8-9,12H,4-7H2,1-3H3,(H2,20,25)(H,21,22,23)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259013
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridin-3-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-18-11-12-19(29)15-25(30,14-18)17-6-5-13-28-16-17/h1-10,13,16,18-19,24,30H,11-12,14-15H2
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210389
PNG
(1-(bis(2-methoxyphenyl)methyl)-4-phenylpiperidin-4...)
Show SMILES COc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1OC
Show InChI InChI=1S/C26H29NO3/c1-29-23-14-8-6-12-21(23)25(22-13-7-9-15-24(22)30-2)27-18-16-26(28,17-19-27)20-10-4-3-5-11-20/h3-15,25,28H,16-19H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 3023-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.061
BindingDB Entry DOI: 10.7270/Q24B3242
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259103
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2=NCCCN2)c2ccccc2Cl)c(Cl)c1 |t:17,THB:13:12:6:8.9|
Show InChI InChI=1S/C25H29Cl2N3O/c1-16-7-10-20(22(27)13-16)23(19-5-2-3-6-21(19)26)30-17-8-9-18(30)15-25(31,14-17)24-28-11-4-12-29-24/h2-3,5-7,10,13,17-18,23,31H,4,8-9,11-12,14-15H2,1H3,(H,28,29)
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50364333
PNG
(CHEMBL1950091)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cnc(C)nc3)c12
Show InChI InChI=1S/C18H16ClN5O/c1-8-4-12(19)5-13-15(17(25)11-6-20-10(3)21-7-11)14-9(2)23-24-18(14)22-16(8)13/h4-7,17,25H,1-3H3,(H,22,23,24)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
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