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Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'kanno' 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
Squalene synthase


(Homo sapiens (Human))
BDBM50285068
PNG
((S)-2-{[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluor...)
Show SMILES C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene synthase (SQS) obtained from HepG2 cells


Bioorg Med Chem Lett 6: 463-466 (1996)


Article DOI: 10.1016/0960-894X(96)00033-9
BindingDB Entry DOI: 10.7270/Q2MG7PG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(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
Neuropeptide Y receptor type 5


(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
Neuropeptide Y receptor type 5


(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


(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
Neuropeptide Y receptor type 5


(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


(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
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50265209
PNG
(1'-(5-chloro-1H-benzo[d]imidazol-2-yl)-3H-spiro[is...)
Show SMILES Clc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C19H16ClN3O2/c20-12-5-6-15-16(11-12)22-18(21-15)23-9-7-19(8-10-23)14-4-2-1-3-13(14)17(24)25-19/h1-6,11H,7-10H2,(H,21,22)
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n/an/a 1.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor transfected in mouse LMtk cells assessed as inhibition of neuropeptide Y-induced increase in intercellul...


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50298625
PNG
(1-(Methylsulfonyl)-N-(3-phenylisoxazol-5-yl)-1,2-d...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cc(no2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H24N4O4S/c1-32(29,30)27-16-23(18-9-5-6-10-20(18)27)11-13-26(14-12-23)22(28)24-21-15-19(25-31-21)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,24,28)
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n/an/a 1.30n/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


(Homo sapiens (Human))
BDBM50298628
PNG
(1-(Methylsulfonyl)-N-(3-phenyl-1H-pyrazol-5-yl)-1,...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cc(n[nH]2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H25N5O3S/c1-32(30,31)28-16-23(18-9-5-6-10-20(18)28)11-13-27(14-12-23)22(29)24-21-15-19(25-26-21)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H2,24,25,26,29)
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n/an/a 1.40n/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 1


(Homo sapiens (Human))
BDBM50296002
PNG
(CHEMBL564536 | isopropyl 3-chloro-5-(1-(6-(2-(5-et...)
Show SMILES CCc1sc(CCc2cc(cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
Show InChI InChI=1S/C29H38ClN5O3S/c1-6-26-20(5)32-28(39-26)8-7-23-16-25(35-9-11-37-12-10-35)17-27(33-23)31-19(4)21-13-22(30)15-24(14-21)34-29(36)38-18(2)3/h13-19H,6-12H2,1-5H3,(H,31,33)(H,34,36)
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPY Y1 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding by scinitill...


Bioorg Med Chem Lett 19: 4325-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.069
BindingDB Entry DOI: 10.7270/Q21G0M97
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50264726
PNG
(1'-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-3H-spir...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C19H15Cl2N3O2/c20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-4,9-10H,5-8H2,(H,22,23)
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n/an/a 1.40n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor transfected in mouse LMtk cells assessed as inhibition of neuropeptide Y-induced increase in intercellul...


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50142763
PNG
(CHEMBL50184 | [3-Chloro-5-({6-[2-(5-ethyl-4-methyl...)
Show SMILES CCc1sc(CCc2cc(cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
Show InChI InChI=1S/C28H36ClN5O3S/c1-5-25-19(4)31-27(38-25)7-6-22-15-24(34-8-10-36-11-9-34)16-26(32-22)30-17-20-12-21(29)14-23(13-20)33-28(35)37-18(2)3/h12-16,18H,5-11,17H2,1-4H3,(H,30,32)(H,33,35)
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant NPY Y1 receptor in CHO/dhFr- cell membranes using [125I]-PYY


Bioorg Med Chem Lett 14: 1761-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.049
BindingDB Entry DOI: 10.7270/Q26D5SFV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50265298
PNG
(CHEMBL496327 | methyl 2-(3-oxo-3H-spiro[isobenzofu...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C21H19N3O4/c1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21/h2-7,12H,8-11H2,1H3,(H,22,23)
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n/an/a 1.5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor transfected in mouse LMtk cells assessed as inhibition of neuropeptide Y-induced increase in intercellul...


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50264726
PNG
(1'-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-3H-spir...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C19H15Cl2N3O2/c20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-4,9-10H,5-8H2,(H,22,23)
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n/an/a 1.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50264364
PNG
(CHEMBL491229 | trans-4-[5-(4-Fluoro-phenyl)-1H-ben...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:19.25,wD:16.18,(9.47,-34.56,;8.18,-35.41,;8.26,-36.94,;6.98,-37.78,;5.61,-37.08,;5.52,-35.55,;6.8,-34.71,;4.32,-37.92,;4.41,-39.46,;3.12,-40.29,;1.76,-39.59,;.32,-40.15,;-.65,-38.94,;.19,-37.66,;1.68,-38.06,;2.96,-37.23,;-2.18,-39.02,;-3.02,-37.72,;-4.57,-37.81,;-5.27,-39.18,;-4.43,-40.48,;-2.89,-40.4,;-5.97,-40.56,;-7.5,-40.32,;-8.59,-41.4,;-7.74,-38.79,;-9.03,-37.95,;-8.95,-36.41,;-7.57,-35.7,;-6.27,-36.55,;-6.36,-38.09,)|
Show InChI InChI=1S/C26H21FN2O2/c27-19-8-5-16(6-9-19)18-7-10-22-23(15-18)29-24(28-22)17-11-13-26(14-12-17)21-4-2-1-3-20(21)25(30)31-26/h1-10,15,17H,11-14H2,(H,28,29)/t17-,26-
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n/an/a 1.70n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50298649
PNG
(CHEMBL573860 | N-[1-(3-Fluorophenyl)-1H-imidazol-4...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C23H24FN5O3S/c1-33(31,32)29-15-23(19-7-2-3-8-20(19)29)9-11-27(12-10-23)22(30)26-21-14-28(16-25-21)18-6-4-5-17(24)13-18/h2-8,13-14,16H,9-12,15H2,1H3,(H,26,30)
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n/an/a 1.80n/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


(Homo sapiens (Human))
BDBM50265297
PNG
(1'-(5-isobutyl-1H-benzo[d]imidazol-2-yl)-3H-spiro[...)
Show SMILES CC(C)Cc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C23H25N3O2/c1-15(2)13-16-7-8-19-20(14-16)25-22(24-19)26-11-9-23(10-12-26)18-6-4-3-5-17(18)21(27)28-23/h3-8,14-15H,9-13H2,1-2H3,(H,24,25)
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n/an/a 1.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50265267
PNG
(1'-(5-phenyl-1H-benzo[d]imidazol-2-yl)-3H-spiro[is...)
Show SMILES O=C1OC2(CCN(CC2)c2nc3cc(ccc3[nH]2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21N3O2/c29-23-19-8-4-5-9-20(19)25(30-23)12-14-28(15-13-25)24-26-21-11-10-18(16-22(21)27-24)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,26,27)
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n/an/a 1.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor transfected in mouse LMtk cells assessed as inhibition of neuropeptide Y-induced increase in intercellul...


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50265299
PNG
(CHEMBL524644 | ethyl 2-(3-oxo-3H-spiro[isobenzofur...)
Show SMILES CCOC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C22H21N3O4/c1-2-28-19(26)14-7-8-17-18(13-14)24-21(23-17)25-11-9-22(10-12-25)16-6-4-3-5-15(16)20(27)29-22/h3-8,13H,2,9-12H2,1H3,(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50298646
PNG
(1-(Ethylsulfonyl)-N-[1-(3-methoxyphenyl)-1H-imidaz...)
Show SMILES CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C25H29N5O4S/c1-3-35(32,33)30-17-25(21-9-4-5-10-22(21)30)11-13-28(14-12-25)24(31)27-23-16-29(18-26-23)19-7-6-8-20(15-19)34-2/h4-10,15-16,18H,3,11-14,17H2,1-2H3,(H,27,31)
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n/an/a 2n/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


(Homo sapiens (Human))
BDBM50264493
PNG
(CHEMBL489608 | trans-4-[5-(5-Trifluoromethyl-[1,2,...)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:21.27,wD:18.20,(7.51,-37.15,;6.75,-38.49,;5.36,-37.84,;8.14,-39.15,;6.2,-39.93,;4.72,-40.33,;4.64,-41.87,;6.08,-42.41,;7.04,-41.21,;3.36,-42.71,;3.44,-44.25,;2.15,-45.08,;.79,-44.38,;-.64,-44.94,;-1.61,-43.73,;-.77,-42.45,;.71,-42.85,;1.99,-42.02,;-3.15,-43.81,;-3.99,-42.51,;-5.53,-42.6,;-6.23,-43.97,;-5.39,-45.27,;-3.85,-45.19,;-6.94,-45.35,;-8.46,-45.1,;-9.55,-46.19,;-8.7,-43.58,;-9.99,-42.74,;-9.92,-41.2,;-8.53,-40.49,;-7.24,-41.34,;-7.32,-42.88,)|
Show InChI InChI=1S/C23H17F3N4O3/c24-23(25,26)21-29-19(30-33-21)13-5-6-16-17(11-13)28-18(27-16)12-7-9-22(10-8-12)15-4-2-1-3-14(15)20(31)32-22/h1-6,11-12H,7-10H2,(H,27,28)/t12-,22-
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n/an/a 2.10n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50258149
PNG
(1-(Methylsulfonyl)-N-[4-(pyridin-3-yl)phenyl]-1,2-...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2cccnc2)c2ccccc12
Show InChI InChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(22-6-2-3-7-23(22)29)12-15-28(16-13-25)24(30)27-21-10-8-19(9-11-21)20-5-4-14-26-17-20/h2-11,14,17H,12-13,15-16,18H2,1H3,(H,27,30)
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n/an/a 2.10n/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


(Homo sapiens (Human))
BDBM50298627
PNG
(1-(Methylsulfonyl)-N-(5-phenyl-1,3-thiazol-2-yl)-1...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ncc(s2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S2/c1-32(29,30)27-16-23(18-9-5-6-10-19(18)27)11-13-26(14-12-23)22(28)25-21-24-15-20(31-21)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,24,25,28)
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n/an/a 2.20n/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


(Homo sapiens (Human))
BDBM50264853
PNG
(1'-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazo...)
Show SMILES FC1(F)Oc2cc3nc([nH]c3cc2O1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C20H15F2N3O4/c21-20(22)27-15-9-13-14(10-16(15)28-20)24-18(23-13)25-7-5-19(6-8-25)12-4-2-1-3-11(12)17(26)29-19/h1-4,9-10H,5-8H2,(H,23,24)
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n/an/a 2.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50264395
PNG
(CHEMBL490824 | trans-4-(5-Chloro-6-phenyl-1H-benzo...)
Show SMILES Clc1cc2[nH]c(nc2cc1-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:19.25,wD:16.18,(4.88,-25.91,;3.6,-26.75,;2.23,-26.06,;.95,-26.89,;-.53,-26.49,;-1.37,-27.78,;-.4,-28.98,;1.03,-28.43,;2.39,-29.12,;3.68,-28.29,;5.05,-28.98,;5.12,-30.52,;6.49,-31.22,;7.79,-30.38,;7.7,-28.84,;6.33,-28.15,;-2.91,-27.86,;-3.75,-26.55,;-5.29,-26.64,;-6,-28.01,;-5.15,-29.31,;-3.61,-29.23,;-6.7,-29.39,;-8.23,-29.15,;-9.31,-30.24,;-8.47,-27.62,;-9.76,-26.78,;-9.68,-25.24,;-8.29,-24.53,;-7,-25.38,;-7.08,-26.92,)|
Show InChI InChI=1S/C26H21ClN2O2/c27-21-15-23-22(14-19(21)16-6-2-1-3-7-16)28-24(29-23)17-10-12-26(13-11-17)20-9-5-4-8-18(20)25(30)31-26/h1-9,14-15,17H,10-13H2,(H,28,29)/t17-,26-
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n/an/a 2.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50264441
PNG
(CHEMBL491239 | trans-6-Chloro-2-(3'-oxo-3'H-spiro[...)
Show SMILES COC(=O)c1cc2[nH]c(nc2cc1Cl)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:17.22,wD:14.15,(31.64,-2.03,;30.27,-1.33,;28.98,-2.17,;29.06,-3.7,;27.61,-1.47,;26.33,-2.3,;24.97,-1.6,;23.53,-2.16,;22.57,-.95,;23.41,.33,;24.89,-.07,;26.17,.76,;27.53,.07,;28.82,.91,;21.03,-1.03,;20.19,.27,;18.65,.18,;17.95,-1.19,;18.79,-2.49,;20.33,-2.41,;17.24,-2.57,;15.72,-2.33,;14.63,-3.41,;15.47,-.8,;14.18,.04,;14.26,1.58,;15.65,2.29,;16.94,1.44,;16.86,-.1,)|
Show InChI InChI=1S/C22H19ClN2O4/c1-28-20(26)14-10-17-18(11-16(14)23)25-19(24-17)12-6-8-22(9-7-12)15-5-3-2-4-13(15)21(27)29-22/h2-5,10-12H,6-9H2,1H3,(H,24,25)/t12-,22-
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n/an/a 2.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50264328
PNG
(CHEMBL489587 | trans-4-(5-Phenyl-1H-benzoimidazol-...)
Show SMILES O=C1O[C@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)-c2ccccc2)c2ccccc12 |r,wU:3.2,wD:6.9,(15.66,-28.28,;16.75,-27.19,;18.28,-27.44,;18.98,-26.06,;19.69,-24.69,;21.23,-24.6,;22.07,-25.9,;21.37,-27.28,;19.82,-27.36,;23.6,-25.82,;24.57,-27.02,;26.01,-26.47,;27.37,-27.17,;28.66,-26.34,;28.57,-24.8,;27.21,-24.11,;25.93,-24.94,;24.45,-24.54,;29.86,-23.96,;31.23,-24.66,;32.52,-23.82,;32.43,-22.28,;31.05,-21.59,;29.77,-22.43,;17.89,-24.97,;17.98,-23.43,;16.68,-22.58,;15.3,-23.28,;15.22,-24.82,;16.51,-25.67,)|
Show InChI InChI=1S/C26H22N2O2/c29-25-20-8-4-5-9-21(20)26(30-25)14-12-18(13-15-26)24-27-22-11-10-19(16-23(22)28-24)17-6-2-1-3-7-17/h1-11,16,18H,12-15H2,(H,27,28)/t18-,26-
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n/an/a 2.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50264366
PNG
(CHEMBL491427 | trans-4-(5-Pyridin-2-yl-1H-benzoimi...)
Show SMILES O=C1O[C@]2(CC[C@@H](CC2)c2nc3cc(ccc3[nH]2)-c2ccccn2)c2ccccc12 |r,wU:3.2,wD:6.9,(-9.28,-3.73,;-8.19,-2.64,;-6.66,-2.88,;-5.96,-1.51,;-5.26,-.14,;-3.72,-.05,;-2.87,-1.35,;-3.58,-2.73,;-5.12,-2.8,;-1.34,-1.27,;-.5,.01,;.99,-.39,;2.27,.44,;3.63,-.25,;3.71,-1.78,;2.42,-2.62,;1.06,-1.92,;-.37,-2.47,;4.92,.59,;4.82,2.12,;6.11,2.96,;7.49,2.27,;7.57,.73,;6.28,-.11,;-7.05,-.42,;-6.96,1.12,;-8.26,1.97,;-9.64,1.27,;-9.72,-.27,;-8.43,-1.11,)|
Show InChI InChI=1S/C25H21N3O2/c29-24-18-5-1-2-6-19(18)25(30-24)12-10-16(11-13-25)23-27-21-9-8-17(15-22(21)28-23)20-7-3-4-14-26-20/h1-9,14-16H,10-13H2,(H,27,28)/t16-,25-
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n/an/a 2.40n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50264365
PNG
(CHEMBL491230 | trans-4-(5-Benzoyl-1H-benzoimidazol...)
Show SMILES O=C(c1ccccc1)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:20.26,wD:17.19,(29.22,-34.77,;29.3,-36.31,;30.67,-37,;30.75,-38.53,;32.12,-39.23,;33.41,-38.39,;33.32,-36.85,;31.95,-36.16,;28.01,-37.15,;28.09,-38.69,;26.81,-39.52,;25.44,-38.82,;24.01,-39.37,;23.04,-38.17,;23.88,-36.89,;25.37,-37.29,;26.65,-36.46,;21.51,-38.25,;20.66,-36.95,;19.12,-37.04,;18.42,-38.41,;19.26,-39.71,;20.8,-39.63,;17.72,-39.79,;16.19,-39.54,;15.1,-40.63,;15.95,-38.02,;14.66,-37.17,;14.74,-35.63,;16.12,-34.93,;17.42,-35.78,;17.33,-37.32,)|
Show InChI InChI=1S/C27H22N2O3/c30-24(17-6-2-1-3-7-17)19-10-11-22-23(16-19)29-25(28-22)18-12-14-27(15-13-18)21-9-5-4-8-20(21)26(31)32-27/h1-11,16,18H,12-15H2,(H,28,29)/t18-,27-
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n/an/a 2.40n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50298632
PNG
(1-(Methylsulfonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]-...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2nccs2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S2/c1-32(29,30)27-16-23(19-4-2-3-5-20(19)27)10-13-26(14-11-23)22(28)25-18-8-6-17(7-9-18)21-24-12-15-31-21/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,25,28)
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n/an/a 2.40n/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


(Homo sapiens (Human))
BDBM50265267
PNG
(1'-(5-phenyl-1H-benzo[d]imidazol-2-yl)-3H-spiro[is...)
Show SMILES O=C1OC2(CCN(CC2)c2nc3cc(ccc3[nH]2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21N3O2/c29-23-19-8-4-5-9-20(19)25(30-23)12-14-28(15-13-25)24-26-21-11-10-18(16-22(21)27-24)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,26,27)
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n/an/a 2.40n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50298624
PNG
(1-(Methylsulfonyl)-N-(1-phenyl-1H-imidazol-4-yl)-1...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H25N5O3S/c1-32(30,31)28-16-23(19-9-5-6-10-20(19)28)11-13-26(14-12-23)22(29)25-21-15-27(17-24-21)18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3,(H,25,29)
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n/an/a 2.40n/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


(Homo sapiens (Human))
BDBM50298621
PNG
(1-(Methylsulfonyl)-N-(quinolin-6-yl)-1,2-dihydro-1...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc3ncccc3c2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-31(29,30)27-16-23(19-6-2-3-7-21(19)27)10-13-26(14-11-23)22(28)25-18-8-9-20-17(15-18)5-4-12-24-20/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,25,28)
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n/an/a 2.5n/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
Squalene synthase


(Homo sapiens (Human))
BDBM50288819
PNG
((R)-4-[(E)-(1S,2S)-2-(3,4-Dichloro-benzyl)-1-methy...)
Show SMILES C[C@@H](CC(O)=O)CC(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C28H29Cl2NO3/c1-18(14-28(33)34)13-27(32)31-19(2)23(16-21-9-12-25(29)26(30)17-21)11-8-20-7-10-22-5-3-4-6-24(22)15-20/h3-12,15,17-19,23H,13-14,16H2,1-2H3,(H,31,32)(H,33,34)/b11-8+/t18-,19+,23-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene synthase (SQS) obtained from HepG2 cells


Bioorg Med Chem Lett 6: 463-466 (1996)


Article DOI: 10.1016/0960-894X(96)00033-9
BindingDB Entry DOI: 10.7270/Q2MG7PG7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50298635
PNG
(1-(Methylsulfonyl)-N-(4-phenoxyphenyl)-1,2-dihydro...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C26H27N3O4S/c1-34(31,32)29-19-26(23-9-5-6-10-24(23)29)15-17-28(18-16-26)25(30)27-20-11-13-22(14-12-20)33-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,27,30)
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n/an/a 2.60n/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


(Homo sapiens (Human))
BDBM50264394
PNG
(CHEMBL455815 | trans-4-(5-Chloro-6-trifluoromethyl...)
Show SMILES FC(F)(F)c1cc2nc([nH]c2cc1Cl)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:17.22,wD:14.15,(29.18,-16.29,;27.86,-15.53,;28.6,-14.18,;27.14,-16.89,;26.49,-14.83,;25.21,-15.66,;23.85,-14.97,;22.41,-15.52,;21.44,-14.32,;22.29,-13.04,;23.77,-13.44,;25.05,-12.6,;26.41,-13.29,;27.7,-12.45,;19.91,-14.4,;19.07,-13.1,;17.53,-13.18,;16.82,-14.55,;17.67,-15.85,;19.21,-15.77,;16.12,-15.93,;14.6,-15.69,;13.51,-16.78,;14.35,-14.16,;13.06,-13.32,;13.14,-11.78,;14.53,-11.08,;15.82,-11.92,;15.74,-13.47,)|
Show InChI InChI=1S/C21H16ClF3N2O2/c22-15-10-17-16(9-14(15)21(23,24)25)26-18(27-17)11-5-7-20(8-6-11)13-4-2-1-3-12(13)19(28)29-20/h1-4,9-11H,5-8H2,(H,26,27)/t11-,20-
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n/an/a 2.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50265298
PNG
(CHEMBL496327 | methyl 2-(3-oxo-3H-spiro[isobenzofu...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C21H19N3O4/c1-27-18(25)13-6-7-16-17(12-13)23-20(22-16)24-10-8-21(9-11-24)15-5-3-2-4-14(15)19(26)28-21/h2-7,12H,8-11H2,1H3,(H,22,23)
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n/an/a 2.70n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells


Bioorg Med Chem Lett 18: 5010-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.018
BindingDB Entry DOI: 10.7270/Q26D5STS
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50298637
PNG
(CHEMBL574996 | N-(4-Acetylphenyl)-1-(methylsulfony...)
Show SMILES CC(=O)c1ccc(NC(=O)N2CCC3(CN(c4ccccc34)S(C)(=O)=O)CC2)cc1
Show InChI InChI=1S/C22H25N3O4S/c1-16(26)17-7-9-18(10-8-17)23-21(27)24-13-11-22(12-14-24)15-25(30(2,28)29)20-6-4-3-5-19(20)22/h3-10H,11-15H2,1-2H3,(H,23,27)
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n/an/a 2.70n/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


(Homo sapiens (Human))
BDBM50298630
PNG
(1-(methylsulfonyl)-N-(4-(thiazol-4-yl)phenyl)spiro...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2cscn2)c2ccccc12
Show InChI InChI=1S/C23H24N4O3S2/c1-32(29,30)27-15-23(19-4-2-3-5-21(19)27)10-12-26(13-11-23)22(28)25-18-8-6-17(7-9-18)20-14-31-16-24-20/h2-9,14,16H,10-13,15H2,1H3,(H,25,28)
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n/an/a 2.80n/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


(Homo sapiens (Human))
BDBM50298643
PNG
(1-(Ethylsulfonyl)-N-[1-(3-fluorophenyl)-1H-imidazo...)
Show SMILES CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C24H26FN5O3S/c1-2-34(32,33)30-16-24(20-8-3-4-9-21(20)30)10-12-28(13-11-24)23(31)27-22-15-29(17-26-22)19-7-5-6-18(25)14-19/h3-9,14-15,17H,2,10-13,16H2,1H3,(H,27,31)
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n/an/a 3n/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


(Homo sapiens (Human))
BDBM50258192
PNG
(1-(Methylsulfonyl)-N-(6-phenylpyridazin-3-yl)-1,2-...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(nn2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(19-9-5-6-10-21(19)29)13-15-28(16-14-24)23(30)25-22-12-11-20(26-27-22)18-7-3-2-4-8-18/h2-12H,13-17H2,1H3,(H,25,27,30)
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n/an/a 3n/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


(Homo sapiens (Human))
BDBM50258148
PNG
(1-(Methylsulfonyl)-N-[4-(pyridin-2-yl)phenyl]-1,2-...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2ccccn2)c2ccccc12
Show InChI InChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(21-6-2-3-8-23(21)29)13-16-28(17-14-25)24(30)27-20-11-9-19(10-12-20)22-7-4-5-15-26-22/h2-12,15H,13-14,16-18H2,1H3,(H,27,30)
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n/an/a 3n/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


(Homo sapiens (Human))
BDBM50264367
PNG
(CHEMBL521959 | trans-4-(5-Pyridin-3-yl-1H-benzoimi...)
Show SMILES O=C1O[C@]2(CC[C@@H](CC2)c2nc3cc(ccc3[nH]2)-c2cccnc2)c2ccccc12 |r,wU:3.2,wD:6.9,(15.61,-4.12,;16.7,-3.04,;18.22,-3.28,;18.93,-1.9,;19.63,-.53,;21.17,-.44,;22.01,-1.74,;21.31,-3.12,;19.77,-3.2,;23.55,-1.66,;24.39,-.38,;25.87,-.78,;27.15,.05,;28.51,-.64,;28.6,-2.18,;27.31,-3.01,;25.95,-2.31,;24.52,-2.87,;29.8,.2,;29.71,1.73,;30.99,2.57,;32.37,1.87,;32.45,.34,;31.17,-.5,;17.84,-.81,;17.92,.73,;16.63,1.58,;15.24,.87,;15.16,-.67,;16.45,-1.51,)|
Show InChI InChI=1S/C25H21N3O2/c29-24-19-5-1-2-6-20(19)25(30-24)11-9-16(10-12-25)23-27-21-8-7-17(14-22(21)28-23)18-4-3-13-26-15-18/h1-8,13-16H,9-12H2,(H,27,28)/t16-,25-
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n/an/a 3.10n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50298633
PNG
(1-(Methylsulfonyl)-N-[4-(1H-pyrazol-1-yl)phenyl]-1...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-n2cccn2)c2ccccc12
Show InChI InChI=1S/C23H25N5O3S/c1-32(30,31)28-17-23(20-5-2-3-6-21(20)28)11-15-26(16-12-23)22(29)25-18-7-9-19(10-8-18)27-14-4-13-24-27/h2-10,13-14H,11-12,15-17H2,1H3,(H,25,29)
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n/an/a 3.20n/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


(Homo sapiens (Human))
BDBM50298647
PNG
(1-(Ethylsulfonyl)-N-[1-(4-methoxyphenyl)-1H-imidaz...)
Show SMILES CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C25H29N5O4S/c1-3-35(32,33)30-17-25(21-6-4-5-7-22(21)30)12-14-28(15-13-25)24(31)27-23-16-29(18-26-23)19-8-10-20(34-2)11-9-19/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,27,31)
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n/an/a 3.20n/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


(Homo sapiens (Human))
BDBM50264444
PNG
(CHEMBL490427 | trans-4-[5-(5-Methyl-[1,3,4]oxadiaz...)
Show SMILES Cc1nnc(o1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(6.6,-22.73,;6.06,-24.16,;6.9,-25.45,;5.93,-26.65,;4.5,-26.1,;4.57,-24.56,;3.21,-26.94,;3.29,-28.48,;2.01,-29.31,;.64,-28.62,;-.79,-29.17,;-1.76,-27.97,;-.92,-26.69,;.57,-27.08,;1.85,-26.25,;-3.29,-28.05,;-4.13,-26.75,;-5.67,-26.83,;-6.38,-28.2,;-5.54,-29.5,;-3.99,-29.42,;-7.08,-29.58,;-8.61,-29.34,;-9.69,-30.43,;-8.85,-27.81,;-10.14,-26.97,;-10.06,-25.43,;-8.67,-24.73,;-7.38,-25.57,;-7.47,-27.12,)|
Show InChI InChI=1S/C23H20N4O3/c1-13-26-27-21(29-13)15-6-7-18-19(12-15)25-20(24-18)14-8-10-23(11-9-14)17-5-3-2-4-16(17)22(28)30-23/h2-7,12,14H,8-11H2,1H3,(H,24,25)/t14-,23-
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n/an/a 3.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells


Bioorg Med Chem Lett 18: 4997-5001 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.021
BindingDB Entry DOI: 10.7270/Q25H7G2P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50298642
PNG
(1-(Ethylsulfonyl)-N-[1-(2-fluorophenyl)-1H-imidazo...)
Show SMILES CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C24H26FN5O3S/c1-2-34(32,33)30-16-24(18-7-3-5-9-20(18)30)11-13-28(14-12-24)23(31)27-22-15-29(17-26-22)21-10-6-4-8-19(21)25/h3-10,15,17H,2,11-14,16H2,1H3,(H,27,31)
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n/an/a 3.30n/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


(Homo sapiens (Human))
BDBM50298626
PNG
(1-(Methylsulfonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2nnc(s2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C22H23N5O3S2/c1-32(29,30)27-15-22(17-9-5-6-10-18(17)27)11-13-26(14-12-22)21(28)23-20-25-24-19(31-20)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,23,25,28)
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n/an/a 3.40n/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


(Homo sapiens (Human))
BDBM50298641
PNG
(1-(Ethylsulfonyl)-N-(1-phenyl-1H-imidazol-4-yl)-1,...)
Show SMILES CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H27N5O3S/c1-2-33(31,32)29-17-24(20-10-6-7-11-21(20)29)12-14-27(15-13-24)23(30)26-22-16-28(18-25-22)19-8-4-3-5-9-19/h3-11,16,18H,2,12-15,17H2,1H3,(H,26,30)
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n/an/a 3.40n/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
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