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Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'miyazoe' and Initial = 'h'   
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))
BDBM50244370
PNG
((7R,9S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)m...)
Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2c(Cl)cccc2Cl)CCc2cccnc12 |r|
Show InChI InChI=1S/C22H26Cl2N2O/c23-18-4-1-5-19(24)21(18)16-8-11-26(12-9-16)14-15-6-7-17-3-2-10-25-22(17)20(27)13-15/h1-5,10,15-16,20,27H,6-9,11-14H2/t15-,20+/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244371
PNG
((7R,9S)-7-((4-(2-chlorophenyl)piperidin-1-yl)methy...)
Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2Cl)CCc2cccnc12 |r|
Show InChI InChI=1S/C22H27ClN2O/c23-20-6-2-1-5-19(20)17-9-12-25(13-10-17)15-16-7-8-18-4-3-11-24-22(18)21(26)14-16/h1-6,11,16-17,21,26H,7-10,12-15H2/t16-,21+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243726
PNG
((7R,9S)-7-(((3S,4R)-3-methyl-4-o-tolylpiperidin-1-...)
Show SMILES C[C@@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@H]1c1ccccc1C |r|
Show InChI InChI=1S/C24H32N2O/c1-17-6-3-4-8-21(17)22-11-13-26(15-18(22)2)16-19-9-10-20-7-5-12-25-24(20)23(27)14-19/h3-8,12,18-19,22-23,27H,9-11,13-16H2,1-2H3/t18-,19-,22-,23+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243729
PNG
((7R,9S)-7-(((3S,4S)-4-(4-fluoro-2-methylphenyl)-3-...)
Show SMILES Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r|
Show InChI InChI=1S/C23H29FN2O2/c1-15-11-18(24)6-7-19(15)20-8-10-26(14-22(20)28)13-16-4-5-17-3-2-9-25-23(17)21(27)12-16/h2-3,6-7,9,11,16,20-22,27-28H,4-5,8,10,12-14H2,1H3/t16-,20+,21+,22-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243727
PNG
((7R,9S)-7-(((3S,4R)-3-(hydroxymethyl)-4-o-tolylpip...)
Show SMILES Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO |r|
Show InChI InChI=1S/C24H32N2O2/c1-17-5-2-3-7-21(17)22-10-12-26(15-20(22)16-27)14-18-8-9-19-6-4-11-25-24(19)23(28)13-18/h2-7,11,18,20,22-23,27-28H,8-10,12-16H2,1H3/t18-,20+,22-,23+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243730
PNG
((7R,9S)-7-(((3R,4R)-4-(2-chloro-4-fluorophenyl)-3-...)
Show SMILES O[C@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C22H26ClFN2O2/c23-19-11-16(24)5-6-17(19)18-7-9-26(13-21(18)28)12-14-3-4-15-2-1-8-25-22(15)20(27)10-14/h1-2,5-6,8,11,14,18,20-21,27-28H,3-4,7,9-10,12-13H2/t14-,18-,20+,21+/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244296
PNG
((-)-(7R,9S)-7-{[4-(2-Methylphenyl)piperidin-1-yl]m...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19,22,26H,8-11,13-16H2,1H3/t18-,22+/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244297
PNG
(CHEMBL513585 | cis-1-methyl-7-((4-o-tolylpiperidin...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C25H33NO/c1-18-6-3-4-8-22(18)21-12-14-26(15-13-21)17-20-10-11-23-19(2)7-5-9-24(23)25(27)16-20/h3-9,20-21,25,27H,10-17H2,1-2H3/t20-,25+/m1/s1
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6n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296870
PNG
((1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-12-15-29(40-4)16-13-26)35-28-14-17-30(33(2,3)24-28)31(38)36-22-18-34(19-23-36,27-10-6-5-7-11-27)32(39)37-20-8-9-21-37/h5-7,10-13,15-16,25,28,30,35H,8-9,14,17-24H2,1-4H3/t25-,28-,30+/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296879
PNG
((4,4-diphenylpiperidin-1-yl)((1R,4R)-4-((R)-1-(4-m...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C35H44N2O2/c1-26(27-15-18-31(39-4)19-16-27)36-30-17-20-32(34(2,3)25-30)33(38)37-23-21-35(22-24-37,28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-16,18-19,26,30,32,36H,17,20-25H2,1-4H3/t26-,30-,32+/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296884
PNG
((1-((1R,4R)-2,2-dimethyl-4-((R)-1-p-tolylethylamin...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C34H47N3O2/c1-25-12-14-27(15-13-25)26(2)35-29-16-17-30(33(3,4)24-29)31(38)36-22-18-34(19-23-36,28-10-6-5-7-11-28)32(39)37-20-8-9-21-37/h5-7,10-15,26,29-30,35H,8-9,16-24H2,1-4H3/t26-,29-,30+/m1/s1
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10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243728
PNG
((7R,9S)-7-(((3S,4S)-3-hydroxy-4-o-tolylpiperidin-1...)
Show SMILES Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r|
Show InChI InChI=1S/C23H30N2O2/c1-16-5-2-3-7-19(16)20-10-12-25(15-22(20)27)14-17-8-9-18-6-4-11-24-23(18)21(26)13-17/h2-7,11,17,20-22,26-27H,8-10,12-15H2,1H3/t17-,20+,21+,22-/m1/s1
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10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243887
PNG
((-)-(3R,4R)-4-(2-Chloro-4-fluorophenyl)-3-hydroxy-...)
Show SMILES O[C@H]1CN(C[C@H]2C[C@H](O)c3ncccc3C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C21H24ClFN2O2/c22-18-10-15(23)3-4-16(18)17-5-7-25(12-20(17)27)11-13-8-14-2-1-6-24-21(14)19(26)9-13/h1-4,6,10,13,17,19-20,26-27H,5,7-9,11-12H2/t13-,17-,19+,20+/m1/s1
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11n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244336
PNG
((6R,8S)-6-((4-o-tolylpiperidin-1-yl)methyl)-5,6,7,...)
Show SMILES Cc1ccccc1C1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)CC1 |r|
Show InChI InChI=1S/C22H28N2O/c1-16-5-2-3-7-20(16)18-8-11-24(12-9-18)15-17-13-19-6-4-10-23-22(19)21(25)14-17/h2-7,10,17-18,21,25H,8-9,11-15H2,1H3/t17-,21+/m1/s1
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11n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244295
PNG
((-)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-te...)
Show SMILES Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19,22,26H,8-11,13-16H2,1H3/t18-,22-/m0/s1
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12n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244295
PNG
((-)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-te...)
Show SMILES Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19,22,26H,8-11,13-16H2,1H3/t18-,22-/m0/s1
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12n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296885
PNG
(1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N(C)C)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C32H45N3O3/c1-23(24-12-15-27(38-6)16-13-24)33-26-14-17-28(31(2,3)22-26)29(36)35-20-18-32(19-21-35,30(37)34(4)5)25-10-8-7-9-11-25/h7-13,15-16,23,26,28,33H,14,17-22H2,1-6H3/t23-,26-,28+/m1/s1
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15n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296873
PNG
(1'-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2=O)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-13-16-29(40-4)17-14-26)35-28-15-18-30(33(2,3)24-28)32(39)36-22-19-34(20-23-36,27-10-6-5-7-11-27)37-21-9-8-12-31(37)38/h5-7,10-11,13-14,16-17,25,28,30,35H,8-9,12,15,18-24H2,1-4H3/t25-,28-,30+/m1/s1
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18n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244372
PNG
((7R,9S)-7-((4-o-tolylpiperazin-1-yl)methyl)-6,7,8,...)
Show SMILES Cc1ccccc1N1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Show InChI InChI=1S/C22H29N3O/c1-17-5-2-3-7-20(17)25-13-11-24(12-14-25)16-18-8-9-19-6-4-10-23-22(19)21(26)15-18/h2-7,10,18,21,26H,8-9,11-16H2,1H3/t18-,21+/m1/s1
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20n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243886
PNG
((6R,8S)-6-(((3R,4R)-4-(4-fluoro-2-methylphenyl)-3-...)
Show SMILES Cc1cc(F)ccc1[C@H]1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)C[C@@H]1O |r|
Show InChI InChI=1S/C22H27FN2O2/c1-14-9-17(23)4-5-18(14)19-6-8-25(13-21(19)27)12-15-10-16-3-2-7-24-22(16)20(26)11-15/h2-5,7,9,15,19-21,26-27H,6,8,10-13H2,1H3/t15-,19-,20+,21+/m1/s1
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21n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296881
PNG
((1-((1R,4R)-4-((S)-2,2-difluoro-1-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F |r|
Show InChI InChI=1S/C34H45F2N3O3/c1-33(2)23-26(37-29(30(35)36)24-11-14-27(42-3)15-12-24)13-16-28(33)31(40)38-21-17-34(18-22-38,25-9-5-4-6-10-25)32(41)39-19-7-8-20-39/h4-6,9-12,14-15,26,28-30,37H,7-8,13,16-23H2,1-3H3/t26-,28+,29+/m1/s1
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22n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296877
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(OC)nc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C35H45N3O3/c1-25(26-11-15-30(40-4)16-12-26)37-29-14-17-31(34(2,3)23-29)33(39)38-21-19-35(20-22-38,27-9-7-6-8-10-27)28-13-18-32(41-5)36-24-28/h6-13,15-16,18,24-25,29,31,37H,14,17,19-23H2,1-5H3/t25-,29-,31+/m1/s1
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24n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244334
PNG
((7R)-9-methyl-7-((4-o-tolylpiperidin-1-yl)methyl)-...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 |r|
Show InChI InChI=1S/C24H32N2O/c1-18-6-3-4-8-22(18)20-11-14-26(15-12-20)17-19-9-10-21-7-5-13-25-23(21)24(2,27)16-19/h3-8,13,19-20,27H,9-12,14-17H2,1-2H3/t19-,24?/m1/s1
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24n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244334
PNG
((7R)-9-methyl-7-((4-o-tolylpiperidin-1-yl)methyl)-...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 |r|
Show InChI InChI=1S/C24H32N2O/c1-18-6-3-4-8-22(18)20-11-14-26(15-12-20)17-19-9-10-21-7-5-13-25-23(21)24(2,27)16-19/h3-8,13,19-20,27H,9-12,14-17H2,1-2H3/t19-,24?/m1/s1
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24n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244335
PNG
((3R)-3-{[4-(2-methylphenyl)piperidin-1-yl]methyl}-...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C3(C2)OCCO3)CC1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-19-5-2-3-7-23(19)21-10-13-27(14-11-21)18-20-8-9-22-6-4-12-26-24(22)25(17-20)28-15-16-29-25/h2-7,12,20-21H,8-11,13-18H2,1H3/t20-/m1/s1
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25n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296883
PNG
((1-((1R,4R)-4-((R)-1-(4-chlorophenyl)ethylamino)-2...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H44ClN3O2/c1-24(25-11-13-27(34)14-12-25)35-28-15-16-29(32(2,3)23-28)30(38)36-21-17-33(18-22-36,26-9-5-4-6-10-26)31(39)37-19-7-8-20-37/h4-6,9-14,24,28-29,35H,7-8,15-23H2,1-3H3/t24-,28-,29+/m1/s1
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27n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296878
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2cccnc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H43N3O2/c1-25(26-12-15-30(39-4)16-13-26)36-29-14-17-31(33(2,3)23-29)32(38)37-21-18-34(19-22-37,27-9-6-5-7-10-27)28-11-8-20-35-24-28/h5-13,15-16,20,24-25,29,31,36H,14,17-19,21-23H2,1-4H3/t25-,29-,31+/m1/s1
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29n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244373
PNG
((7R,9S)-7-((4-phenylpiperidin-1-yl)methyl)-6,7,8,9...)
Show SMILES O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2)CCc2cccnc12 |r|
Show InChI InChI=1S/C22H28N2O/c25-21-15-17(8-9-20-7-4-12-23-22(20)21)16-24-13-10-19(11-14-24)18-5-2-1-3-6-18/h1-7,12,17,19,21,25H,8-11,13-16H2/t17-,21+/m1/s1
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30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296876
PNG
((4-(6-chloropyridin-3-yl)-4-phenylpiperidin-1-yl)(...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(Cl)nc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H42ClN3O2/c1-24(25-10-14-29(40-4)15-11-25)37-28-13-16-30(33(2,3)22-28)32(39)38-20-18-34(19-21-38,26-8-6-5-7-9-26)27-12-17-31(35)36-23-27/h5-12,14-15,17,23-24,28,30,37H,13,16,18-22H2,1-4H3/t24-,28-,30+/m1/s1
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32n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296872
PNG
(3-(1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCOC2=O)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C33H45N3O4/c1-24(25-11-14-28(39-4)15-12-25)34-27-13-16-29(32(2,3)23-27)30(37)35-20-17-33(18-21-35,26-9-6-5-7-10-26)36-19-8-22-40-31(36)38/h5-7,9-12,14-15,24,27,29,34H,8,13,16-23H2,1-4H3/t24-,27-,29+/m1/s1
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42n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296880
PNG
((1-((1R,4R)-2,2-dimethyl-4-((S)-2,2,2-trifluoro-1-...)
Show SMILES COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)(F)F |r|
Show InChI InChI=1S/C34H44F3N3O3/c1-32(2)23-26(38-29(34(35,36)37)24-11-14-27(43-3)15-12-24)13-16-28(32)30(41)39-21-17-33(18-22-39,25-9-5-4-6-10-25)31(42)40-19-7-8-20-40/h4-6,9-12,14-15,26,28-29,38H,7-8,13,16-23H2,1-3H3/t26-,28+,29+/m1/s1
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43n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296882
PNG
((1-((1R,4R)-4-((R)-1-(4-fluorophenyl)ethylamino)-2...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C33H44FN3O2/c1-24(25-11-13-27(34)14-12-25)35-28-15-16-29(32(2,3)23-28)30(38)36-21-17-33(18-22-36,26-9-5-4-6-10-26)31(39)37-19-7-8-20-37/h4-6,9-14,24,28-29,35H,7-8,15-23H2,1-3H3/t24-,28-,29+/m1/s1
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44n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296871
PNG
(1-(1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCNC2=O)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C33H46N4O3/c1-24(25-11-14-28(40-4)15-12-25)35-27-13-16-29(32(2,3)23-27)30(38)36-21-17-33(18-22-36,26-9-6-5-7-10-26)37-20-8-19-34-31(37)39/h5-7,9-12,14-15,24,27,29,35H,8,13,16-23H2,1-4H3,(H,34,39)/t24-,27-,29+/m1/s1
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45n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296875
PNG
(CHEMBL556915 | N-(4-((1R,4R)-4-((R)-1-(4-methoxyph...)
Show InChI InChI=1S/C32H44N2O3/c1-22(24-11-14-28(37-5)15-12-24)33-27-13-16-29(31(3,4)21-27)30(36)25-17-19-32(20-18-25,34-23(2)35)26-9-7-6-8-10-26/h6-12,14-15,22,25,27,29,33H,13,16-21H2,1-5H3,(H,34,35)/t22-,25?,27-,29+,32?/m1/s1
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48n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296874
PNG
(CHEMBL561193 | N-(4-((1R,4R)-4-((R)-1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(N(C)C(C)=O)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(18.3,-47.67,;16.96,-48.43,;15.63,-47.66,;14.29,-48.42,;12.97,-47.65,;12.98,-46.1,;14.31,-45.34,;15.64,-46.11,;11.65,-45.33,;10.32,-46.09,;11.66,-43.79,;10.33,-43.01,;10.34,-41.47,;9,-40.69,;7.67,-41.46,;6.34,-40.69,;5,-41.46,;6.34,-39.15,;5.01,-38.38,;5.01,-36.83,;6.34,-36.05,;7.68,-36.83,;7.68,-38.38,;7.66,-35.25,;7.62,-33.72,;9.01,-36,;10.32,-35.2,;9.04,-37.53,;5,-35.31,;4.97,-33.76,;3.63,-33.02,;2.3,-33.8,;2.32,-35.34,;3.66,-36.1,;7.67,-43,;6.33,-42.23,;6.89,-44.32,;8.99,-43.77,)|
Show InChI InChI=1S/C33H46N2O3/c1-23(25-12-15-29(38-6)16-13-25)34-28-14-17-30(32(3,4)22-28)31(37)26-18-20-33(21-19-26,35(5)24(2)36)27-10-8-7-9-11-27/h7-13,15-16,23,26,28,30,34H,14,17-22H2,1-6H3/t23-,26?,28-,30+,33?/m1/s1
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49n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244333
PNG
((R)-7-((4-o-tolylpiperidin-1-yl)methyl)-5,6,7,8-te...)
Show SMILES Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1 |r|
Show InChI InChI=1S/C23H28N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19H,8-11,13-16H2,1H3/t18-/m1/s1
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49n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50243797
PNG
((6R,8S)-6-(((3R,4R)-3-hydroxy-4-o-tolylpiperidin-1...)
Show SMILES Cc1ccccc1[C@H]1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)C[C@@H]1O |r|
Show InChI InChI=1S/C22H28N2O2/c1-15-5-2-3-7-18(15)19-8-10-24(14-21(19)26)13-16-11-17-6-4-9-23-22(17)20(25)12-16/h2-7,9,16,19-21,25-26H,8,10-14H2,1H3/t16-,19-,20+,21+/m1/s1
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51n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50244374
PNG
((7R,9S)-7-((4-methyl-4-phenylpiperidin-1-yl)methyl...)
Show SMILES CC1(CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C23H30N2O/c1-23(20-7-3-2-4-8-20)11-14-25(15-12-23)17-18-9-10-19-6-5-13-24-22(19)21(26)16-18/h2-8,13,18,21,26H,9-12,14-17H2,1H3/t18-,21+/m1/s1
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58n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells


J Med Chem 51: 4021-9 (2008)


Article DOI: 10.1021/jm701590h
BindingDB Entry DOI: 10.7270/Q2KW5FTW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296894
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnc(C)o2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C32H42N4O3/c1-22(24-11-14-27(38-5)15-12-24)33-26-13-16-28(31(3,4)21-26)29(37)36-19-17-32(18-20-36,25-9-7-6-8-10-25)30-35-34-23(2)39-30/h6-12,14-15,22,26,28,33H,13,16-21H2,1-5H3/t22-,26-,28+/m1/s1
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120n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296891
PNG
((1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C35H49N3O3/c1-26(27-13-16-30(41-4)17-14-27)36-29-15-18-31(34(2,3)25-29)32(39)37-23-19-35(20-24-37,28-11-7-5-8-12-28)33(40)38-21-9-6-10-22-38/h5,7-8,11-14,16-17,26,29,31,36H,6,9-10,15,18-25H2,1-4H3/t26-,29-,31+/m1/s1
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150n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296888
PNG
((1-((1R,4R)-2,2-dimethyl-4-((R)-1-phenylethylamino...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccccc1 |r|
Show InChI InChI=1S/C33H45N3O2/c1-25(26-12-6-4-7-13-26)34-28-16-17-29(32(2,3)24-28)30(37)35-22-18-33(19-23-35,27-14-8-5-9-15-27)31(38)36-20-10-11-21-36/h4-9,12-15,25,28-29,34H,10-11,16-24H2,1-3H3/t25-,28-,29+/m1/s1
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160n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296886
PNG
((1-((1R,4R)-4-((R)-1-(3-methoxyphenyl)ethylamino)-...)
Show SMILES COc1cccc(c1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-11-10-14-29(23-26)40-4)35-28-15-16-30(33(2,3)24-28)31(38)36-21-17-34(18-22-36,27-12-6-5-7-13-27)32(39)37-19-8-9-20-37/h5-7,10-14,23,25,28,30,35H,8-9,15-22,24H2,1-4H3/t25-,28-,30+/m1/s1
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210n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296893
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(c2nnc(C)s2)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(48.69,-28.06,;47.35,-28.83,;46.02,-28.05,;44.68,-28.82,;43.35,-28.04,;43.37,-26.5,;44.69,-25.74,;46.02,-26.51,;42.04,-25.72,;40.71,-26.49,;42.05,-24.18,;40.72,-23.41,;40.73,-21.86,;39.39,-21.08,;38.06,-21.86,;36.73,-21.09,;35.39,-21.85,;36.73,-19.55,;35.4,-18.78,;35.4,-17.23,;36.73,-16.45,;38.07,-17.23,;38.07,-18.78,;38.05,-15.65,;38.18,-14.12,;39.67,-13.77,;40.47,-15.08,;42.01,-15.21,;39.47,-16.25,;35.38,-15.7,;35.36,-14.16,;34.02,-13.42,;32.69,-14.2,;32.71,-15.74,;34.05,-16.5,;38.06,-23.4,;36.72,-22.62,;37.28,-24.72,;39.38,-24.17,)|
Show InChI InChI=1S/C33H43N3O2S/c1-22(24-11-14-28(38-5)15-12-24)34-27-13-16-29(32(3,4)21-27)30(37)25-17-19-33(20-18-25,26-9-7-6-8-10-26)31-36-35-23(2)39-31/h6-12,14-15,22,25,27,29,34H,13,16-21H2,1-5H3/t22-,25?,27-,29+,33?/m1/s1
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330n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296889
PNG
((1-((1R,4R)-4-(4-methoxybenzylamino)-2,2-dimethylc...)
Show SMILES COc1ccc(CN[C@@H]2CC[C@@H](C(=O)N3CCC(CC3)(C(=O)N3CCCC3)c3ccccc3)C(C)(C)C2)cc1 |r|
Show InChI InChI=1S/C33H45N3O3/c1-32(2)23-27(34-24-25-11-14-28(39-3)15-12-25)13-16-29(32)30(37)35-21-17-33(18-22-35,26-9-5-4-6-10-26)31(38)36-19-7-8-20-36/h4-6,9-12,14-15,27,29,34H,7-8,13,16-24H2,1-3H3/t27-,29+/m1/s1
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470n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296887
PNG
((1-((1R,4R)-4-((R)-1-(2-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(28-14-8-9-15-30(28)40-4)35-27-16-17-29(33(2,3)24-27)31(38)36-22-18-34(19-23-36,26-12-6-5-7-13-26)32(39)37-20-10-11-21-37/h5-9,12-15,25,27,29,35H,10-11,16-24H2,1-4H3/t25-,27-,29+/m1/s1
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790n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296895
PNG
((4-(1,3,4-oxadiazol-2-yl)-4-phenylpiperidin-1-yl)(...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnco2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C31H40N4O3/c1-22(23-10-13-26(37-4)14-11-23)33-25-12-15-27(30(2,3)20-25)28(36)35-18-16-31(17-19-35,29-34-32-21-38-29)24-8-6-5-7-9-24/h5-11,13-14,21-22,25,27,33H,12,15-20H2,1-4H3/t22-,25-,27+/m1/s1
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890n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296890
PNG
((1-((1R,4R)-4-((S)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-12-15-29(40-4)16-13-26)35-28-14-17-30(33(2,3)24-28)31(38)36-22-18-34(19-23-36,27-10-6-5-7-11-27)32(39)37-20-8-9-21-37/h5-7,10-13,15-16,25,28,30,35H,8-9,14,17-24H2,1-4H3/t25-,28+,30-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296892
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H49N3O2/c1-26(27-13-16-30(39-4)17-14-27)35-29-15-18-31(33(2,3)25-29)32(38)36-23-19-34(20-24-36,28-11-7-5-8-12-28)37-21-9-6-10-22-37/h5,7-8,11-14,16-17,26,29,31,35H,6,9-10,15,18-25H2,1-4H3/t26-,29-,31+/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50258478
PNG
(2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spiro[fur...)
Show SMILES FCCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C27H29F4N5O2/c28-7-14-35(26(37)25(36-11-1-8-33-36)19-3-4-22(29)23(30)15-19)10-2-9-34-12-5-27(6-13-34)21-17-32-24(31)16-20(21)18-38-27/h1,3-4,8,11,15-17,25H,2,5-7,9-10,12-14,18H2
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n/an/a 0.0900n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301705
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES CCO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H26F3N3O2/c1-2-35-32-26(20-7-8-23(28)24(29)13-20)19-5-3-18(4-6-19)16-33-11-9-27(10-12-33)22-15-31-25(30)14-21(22)17-34-27/h3-8,13-15H,2,9-12,16-17H2,1H3/b32-26-
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n/an/a 0.120n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
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