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Compile Data Set for Download or QSAR

Found 385 hits with Last Name = 'fukuroda' and Initial = 't'   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50143784
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...)
Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Banyu Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1262-70 (1999)


BindingDB Entry DOI: 10.7270/Q2Q52N5Q
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50143784
PNG
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...)
Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Banyu Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1262-70 (1999)


BindingDB Entry DOI: 10.7270/Q2Q52N5Q
More data for this
Ligand-Target Pair
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
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
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
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
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
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
EDNRB


(Homo sapiens (Human))
BDBM50061101
PNG
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
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102n/an/an/an/an/an/an/an/a



Banyu Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1262-70 (1999)


BindingDB Entry DOI: 10.7270/Q2Q52N5Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50119678
PNG
((R)-5-Benzo[1,3]dioxol-5-yl-2-isopropylamino-7-(4-...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C26H26N2O5/c1-14(2)27-21-11-9-18-22(16-6-10-19-20(12-16)33-13-32-19)24(26(29)30)23(25(18)28-21)15-4-7-17(31-3)8-5-15/h4-12,14,22-24H,13H2,1-3H3,(H,27,28)(H,29,30)/t22-,23-,24+/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50119676
PNG
((R)-5-Benzo[1,3]dioxol-5-yl-7-(4-methoxy-phenyl)-2...)
Show SMILES CCCNc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H26N2O5/c1-3-12-27-21-11-9-18-22(16-6-10-19-20(13-16)33-14-32-19)24(26(29)30)23(25(18)28-21)15-4-7-17(31-2)8-5-15/h4-11,13,22-24H,3,12,14H2,1-2H3,(H,27,28)(H,29,30)/t22-,23-,24+/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50119665
PNG
(5-Benzo[1,3]dioxol-5-yl-2-but-3-enyl-7-(4-methoxy-...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccc(CCC=C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C27H25NO5/c1-3-4-5-18-9-12-20-23(17-8-13-21-22(14-17)33-15-32-21)25(27(29)30)24(26(20)28-18)16-6-10-19(31-2)11-7-16/h3,6-14,23-25H,1,4-5,15H2,2H3,(H,29,30)/t23-,24-,25+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50119671
PNG
(5-Benzo[1,3]dioxol-5-yl-2-butyl-7-(4-methoxy-pheny...)
Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H27NO5/c1-3-4-5-18-9-12-20-23(17-8-13-21-22(14-17)33-15-32-21)25(27(29)30)24(26(20)28-18)16-6-10-19(31-2)11-7-16/h6-14,23-25H,3-5,15H2,1-2H3,(H,29,30)/t23-,24-,25+/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29986
PNG
(arylpyrazole, 31)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl |r|
Show InChI InChI=1S/C21H22ClF2N5/c1-12-19(11-27-16-6-5-15(23)9-16)28-29(21-17(22)4-3-7-25-21)20(12)14-8-18(24)13(2)26-10-14/h3-4,7-8,10,15-16,27H,5-6,9,11H2,1-2H3/t15-,16+/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50119663
PNG
(5-Benzo[1,3]dioxol-5-yl-2-isobutyl-7-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccc(CC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C27H27NO5/c1-15(2)12-18-7-10-20-23(17-6-11-21-22(13-17)33-14-32-21)25(27(29)30)24(26(20)28-18)16-4-8-19(31-3)9-5-16/h4-11,13,15,23-25H,12,14H2,1-3H3,(H,29,30)/t23-,24-,25+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50119670
PNG
(5-Benzo[1,3]dioxol-5-yl-7-(4-methoxy-phenyl)-2-pro...)
Show SMILES CCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H25NO5/c1-3-4-17-8-11-19-22(16-7-12-20-21(13-16)32-14-31-20)24(26(28)29)23(25(19)27-17)15-5-9-18(30-2)10-6-15/h5-13,22-24H,3-4,14H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50119673
PNG
((R)-5-Benzo[1,3]dioxol-5-yl-2-ethoxymethyl-7-(4-me...)
Show SMILES CCOCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H25NO6/c1-3-31-13-17-7-10-19-22(16-6-11-20-21(12-16)33-14-32-20)24(26(28)29)23(25(19)27-17)15-4-8-18(30-2)9-5-15/h4-12,22-24H,3,13-14H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29986
PNG
(arylpyrazole, 31)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl |r|
Show InChI InChI=1S/C21H22ClF2N5/c1-12-19(11-27-16-6-5-15(23)9-16)28-29(21-17(22)4-3-7-25-21)20(12)14-8-18(24)13(2)26-10-14/h3-4,7-8,10,15-16,27H,5-6,9,11H2,1-2H3/t15-,16+/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50119662
PNG
((R)-5-Benzo[1,3]dioxol-5-yl-2-(3-hydroxy-propyl)-7...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccc(CCCO)nc12)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C26H25NO6/c1-31-18-8-4-15(5-9-18)23-24(26(29)30)22(16-6-11-20-21(13-16)33-14-32-20)19-10-7-17(3-2-12-28)27-25(19)23/h4-11,13,22-24,28H,2-3,12,14H2,1H3,(H,29,30)/t22-,23-,24+/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50258232
PNG
(1-(Methylsulfonyl)-N-(5-phenylpyrimidin-2-yl)-1,2-...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ncc(cn2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(20-9-5-6-10-21(20)29)11-13-28(14-12-24)23(30)27-22-25-15-19(16-26-22)18-7-3-2-4-8-18/h2-10,15-16H,11-14,17H2,1H3,(H,25,26,27,30)
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n/an/a 0.570n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296580
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES CC(C)n1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C19H26F2N4/c1-11(2)25-19(14-7-17(21)13(4)22-9-14)12(3)18(24-25)10-23-16-6-5-15(20)8-16/h7,9,11,15-16,23H,5-6,8,10H2,1-4H3/t15-,16+/m1/s1
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n/an/a 0.610n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296581
PNG
((1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-...)
Show SMILES CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C18H24F2N4/c1-4-24-18(13-7-16(20)12(3)21-9-13)11(2)17(23-24)10-22-15-6-5-14(19)8-15/h7,9,14-15,22H,4-6,8,10H2,1-3H3/t14-,15+/m1/s1
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n/an/a 0.610n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50298636
PNG
(1-(Methylsulfonyl)-N-[4-(phenylcarbonyl)phenyl]-1,...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H27N3O4S/c1-35(33,34)30-19-27(23-9-5-6-10-24(23)30)15-17-29(18-16-27)26(32)28-22-13-11-21(12-14-22)25(31)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,28,32)
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n/an/a 0.680n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29994
PNG
(2-Cyclohexylcarbonylbenzimidazole, 7e)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(CC)CC[C@@](C)(O)CC1 |r,wU:20.23,25.29,wD:20.22,25.28,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;6.37,4.44,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)|
Show InChI InChI=1S/C23H33ClN4O2/c1-4-23(8-6-22(3,30)7-9-23)20(29)21-25-17-14-16(24)19(15-18(17)26-21)28-12-10-27(5-2)11-13-28/h14-15,30H,4-13H2,1-3H3,(H,25,26)/t22-,23-
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n/an/a 0.800n/a 2.40n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3096-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.023
BindingDB Entry DOI: 10.7270/Q24J0CFR
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29988
PNG
(benzimidazole analogue, 7h | benzimidazole derivat...)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;6.09,-2.49,;8.33,-1.05,;9.17,-2.34,;9.04,.32,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
Show InChI InChI=1S/C23H34ClN5OS/c1-5-28-10-12-29(13-11-28)21-15-20-19(14-18(21)24)25-22(26-20)31-23(3)8-6-17(7-9-23)27(4)16(2)30/h14-15,17H,5-13H2,1-4H3,(H,25,26)/t17-,23-
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n/an/a 0.810n/an/an/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3096-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.023
BindingDB Entry DOI: 10.7270/Q24J0CFR
More data for this
Ligand-Target Pair
Endothelin receptor ET-B


(Sus scrofa)
BDBM50051385
PNG
(2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-cyclopropyl-...)
Show SMILES CCCCC(NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O
Show InChI InChI=1S/C30H42BrN5O5/c1-4-5-12-23(29(39)40)33-27(37)24(16-21-20-11-6-7-13-22(20)32-26(21)31)34-28(38)25(19-14-15-19)35-30(41)36-17(2)9-8-10-18(36)3/h6-7,11,13,17-19,23-25,32H,4-5,8-10,12,14-16H2,1-3H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t17-,18+,23?,24-,25?/m1/s1
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n/an/a 0.810n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes


J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50258191
PNG
(1-(Methylsulfonyl)-N-(6-phenylpyridin-3-yl)-1,2-di...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(nc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(21-9-5-6-10-23(21)29)13-15-28(16-14-25)24(30)27-20-11-12-22(26-17-20)19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H,27,30)
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n/an/a 0.820n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50258194
PNG
(1-(Methylsulfonyl)-N-(2-phenylpyrimidin-5-yl)-1,2-...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cnc(nc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(20-9-5-6-10-21(20)29)11-13-28(14-12-24)23(30)27-19-15-25-22(26-16-19)18-7-3-2-4-8-18/h2-10,15-16H,11-14,17H2,1H3,(H,27,30)
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n/an/a 0.860n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50119674
PNG
((R)-5-Benzo[1,3]dioxol-5-yl-7-(4-methoxy-phenyl)-2...)
Show SMILES CCCOc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H25NO6/c1-3-12-31-21-11-9-18-22(16-6-10-19-20(13-16)33-14-32-19)24(26(28)29)23(25(18)27-21)15-4-7-17(30-2)8-5-15/h4-11,13,22-24H,3,12,14H2,1-2H3,(H,28,29)/t22-,23-,24+/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor


Bioorg Med Chem Lett 12: 3041-5 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9B3N
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296580
PNG
((1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3...)
Show SMILES CC(C)n1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C19H26F2N4/c1-11(2)25-19(14-7-17(21)13(4)22-9-14)12(3)18(24-25)10-23-16-6-5-15(20)8-16/h7,9,11,15-16,23H,5-6,8,10H2,1-4H3/t15-,16+/m1/s1
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n/an/a 0.920n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50258151
PNG
(1-(Methylsulfonyl)-N-(5-phenylpyridin-2-yl)-1,2-di...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cn2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(21-9-5-6-10-22(21)29)13-15-28(16-14-25)24(30)27-23-12-11-20(17-26-23)19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H,26,27,30)
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n/an/a 0.960n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50258193
PNG
(1-(Methylsulfonyl)-N-(5-phenylpyrazin-2-yl)-1,2-di...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cnc(cn2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(19-9-5-6-10-21(19)29)11-13-28(14-12-24)23(30)27-22-16-25-20(15-26-22)18-7-3-2-4-8-18/h2-10,15-16H,11-14,17H2,1H3,(H,26,27,30)
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n/an/a 0.970n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50051394
PNG
(2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-p...)
Show SMILES CSCCC(NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(NC(=O)N1[C@@H](C)CCC[C@H]1C)C1CC1)C(O)=O
Show InChI InChI=1S/C30H43N5O5S/c1-17-8-7-9-18(2)35(17)30(40)34-26(20-12-13-20)28(37)33-25(27(36)32-24(29(38)39)14-15-41-4)16-22-19(3)31-23-11-6-5-10-21(22)23/h5-6,10-11,17-18,20,24-26,31H,7-9,12-16H2,1-4H3,(H,32,36)(H,33,37)(H,34,40)(H,38,39)/t17-,18+,24?,25-,26?/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin A receptor in porcine aortic smooth muscle membranes.


J Med Chem 39: 2313-30 (1996)


Article DOI: 10.1021/jm9600914
BindingDB Entry DOI: 10.7270/Q2XS5W2G
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296590
PNG
((1S,3R)-N-((5-(3,5-difluorophenyl)-4-(methoxymethy...)
Show SMILES COCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C18H22F3N3O/c1-24-18(11-5-13(20)7-14(21)6-11)16(10-25-2)17(23-24)9-22-15-4-3-12(19)8-15/h5-7,12,15,22H,3-4,8-10H2,1-2H3/t12-,15+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair
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