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PubMed code 12067558

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114982
PNG
(CHEMBL445613 | Naphthalene-1-sulfonic acid (4-{[(2...)
Show SMILES O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3OCCOc3c2)CC1)c1cccc2ccccc12 |wU:5.4,wD:8.8,(4.8,-4.82,;6.13,-5.59,;6.95,-4,;7.55,-6.18,;8.79,-5.24,;10.22,-5.82,;11.41,-4.89,;12.83,-5.47,;13.04,-7.02,;14.47,-7.6,;15.68,-6.67,;17.06,-7.34,;18.35,-6.49,;19.68,-7.27,;21.01,-6.5,;21.01,-4.98,;22.36,-4.21,;22.37,-2.66,;21.03,-1.89,;19.68,-2.65,;19.68,-4.19,;18.35,-4.95,;11.81,-7.95,;10.38,-7.34,;5.36,-6.92,;6.11,-8.23,;5.33,-9.56,;3.79,-9.56,;3.02,-8.23,;1.5,-8.23,;.73,-6.9,;1.53,-5.57,;3.04,-5.57,;3.82,-6.9,)|
Show InChI InChI=1S/C27H32N2O4S/c30-34(31,27-7-3-5-23-4-1-2-6-24(23)27)29-19-21-10-8-20(9-11-21)17-28-18-22-12-13-25-26(16-22)33-15-14-32-25/h1-7,12-13,16,20-21,28-29H,8-11,14-15,17-19H2/t20-,21-
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 12n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114979
PNG
(CHEMBL415926 | Naphthalene-2-sulfonic acid (4-{[(1...)
Show SMILES O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 |wU:5.4,wD:8.8,(-1.75,.27,;-1.73,-1.27,;-1.32,-2.77,;-.39,-2.04,;.94,-1.27,;2.28,-2.04,;3.61,-1.25,;4.94,-2.02,;4.94,-3.56,;6.29,-4.33,;7.62,-3.56,;8.96,-4.33,;10.3,-3.56,;10.29,-2.04,;11.63,-1.27,;12.96,-2.04,;14.29,-1.29,;15.62,-2.04,;15.6,-3.59,;14.27,-4.36,;12.95,-3.59,;11.63,-4.36,;3.61,-4.33,;2.28,-3.59,;-3.06,-2.07,;-3.06,-3.61,;-4.41,-4.38,;-5.74,-3.61,;-7.08,-4.38,;-8.41,-3.61,;-8.41,-2.07,;-7.08,-1.29,;-5.74,-2.07,;-4.41,-1.29,)|
Show InChI InChI=1S/C29H36N2O2S/c32-34(33,29-16-15-26-6-2-4-8-28(26)18-29)31-21-23-11-9-22(10-12-23)19-30-20-24-13-14-25-5-1-3-7-27(25)17-24/h1-8,15-16,18,22-24,30-31H,9-14,17,19-21H2/t22-,23-,24?
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 32n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114991
PNG
(1,2,3,4-Tetrahydro-naphthalene-2-carboxylic acid [...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNC(=O)C1CCc2ccccc2C1
Show InChI InChI=1S/C23H29N3O5S/c27-23(20-14-13-18-9-3-4-10-19(18)17-20)24-15-7-1-2-8-16-25-32(30,31)22-12-6-5-11-21(22)26(28)29/h3-6,9-12,20,25H,1-2,7-8,13-17H2,(H,24,27)
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 46n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114994
PNG
(CHEMBL52382 | Naphthalene-1-sulfonic acid {4-[3-(3...)
Show SMILES Clc1ccc(NC(=O)NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)cc1Cl |wU:13.13,wD:10.9,(23.58,-8.14,;22.8,-6.78,;21.24,-6.78,;20.47,-5.45,;21.24,-4.1,;20.47,-2.77,;18.92,-2.77,;18.14,-4.12,;18.14,-1.43,;16.59,-1.45,;15.81,-2.81,;14.26,-2.81,;13.49,-4.14,;14.26,-5.48,;13.49,-6.81,;11.93,-6.81,;11.15,-5.47,;12.51,-4.68,;10.38,-4.12,;9.82,-6.24,;9.82,-7.77,;8.5,-8.54,;7.15,-7.77,;7.15,-6.23,;5.82,-5.47,;5.82,-3.94,;7.15,-3.16,;8.49,-3.94,;8.49,-5.47,;15.81,-5.48,;16.58,-4.15,;22.8,-4.1,;23.57,-5.43,;25.11,-5.42,)|
Show InChI InChI=1S/C25H27Cl2N3O3S/c26-22-13-12-20(14-23(22)27)30-25(31)28-15-17-8-10-18(11-9-17)16-29-34(32,33)24-7-3-5-19-4-1-2-6-21(19)24/h1-7,12-14,17-18,29H,8-11,15-16H2,(H2,28,30,31)/t17-,18-
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 95n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114985
PNG
(CHEMBL298168 | N-{4-[(3-Naphthalen-1-yl-ureido)-me...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNC(=O)Nc2cccc3ccccc23)CC1 |wU:14.14,wD:17.18,(5.86,-3.08,;5.24,-4.51,;3.71,-4.69,;6.18,-5.77,;5.56,-7.16,;6.48,-8.4,;8,-8.24,;8.61,-6.81,;7.7,-5.58,;8.32,-4.16,;8.94,-2.74,;6.9,-3.55,;9.73,-4.76,;10.98,-3.85,;12.4,-4.48,;13.64,-3.57,;15.06,-4.2,;15.22,-5.72,;16.63,-6.35,;17.88,-5.44,;19.28,-6.07,;19.45,-7.61,;20.54,-5.16,;21.94,-5.79,;22.08,-7.33,;23.5,-7.96,;24.74,-7.05,;24.58,-5.51,;25.81,-4.62,;25.65,-3.1,;24.25,-2.47,;23.01,-3.36,;23.18,-4.9,;13.97,-6.63,;12.56,-6,)|
Show InChI InChI=1S/C25H28N4O5S/c30-25(28-22-9-5-7-20-6-1-2-8-21(20)22)26-16-18-12-14-19(15-13-18)17-27-35(33,34)24-11-4-3-10-23(24)29(31)32/h1-11,18-19,27H,12-17H2,(H2,26,28,30)/t18-,19-
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 103n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114992
PNG
(CHEMBL298342 | N-[6-(3-Naphthalen-1-yl-ureido)-hex...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNC(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H26N4O5S/c28-23(26-20-13-9-11-18-10-3-4-12-19(18)20)24-16-7-1-2-8-17-25-33(31,32)22-15-6-5-14-21(22)27(29)30/h3-6,9-15,25H,1-2,7-8,16-17H2,(H2,24,26,28)
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 151n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114986
PNG
(CHEMBL299742 | N-{4-[(Naphthalene-2-sulfonylamino)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1 |wU:26.28,wD:23.24,(25.46,2.89,;24.69,1.53,;25.46,.19,;24.69,-1.14,;23.15,-1.14,;22.38,.2,;23.15,1.53,;22.36,-2.48,;23.71,-3.27,;21.02,-1.71,;21.59,-3.83,;22.36,-5.16,;23.92,-5.16,;24.69,-6.49,;23.9,-7.82,;24.67,-9.15,;26.21,-9.15,;26.98,-7.8,;26.21,-6.47,;21.59,-6.49,;22.36,-7.82,;20.04,-6.49,;19.27,-7.82,;17.73,-7.82,;16.96,-6.49,;15.42,-6.49,;14.65,-7.82,;13.1,-7.82,;12.33,-9.15,;10.79,-9.15,;10.8,-7.61,;9.25,-9.15,;10.78,-10.69,;12.09,-11.46,;12.09,-13,;10.74,-13.77,;10.72,-15.29,;9.39,-16.05,;8.06,-15.27,;8.07,-13.73,;9.41,-12.98,;9.43,-11.44,;15.42,-9.15,;16.96,-9.15,)|
Show InChI InChI=1S/C34H39N3O5S2/c1-25-11-18-31(19-12-25)44(41,42)37-33(21-26-7-3-2-4-8-26)34(38)35-23-27-13-15-28(16-14-27)24-36-43(39,40)32-20-17-29-9-5-6-10-30(29)22-32/h2-12,17-20,22,27-28,33,36-37H,13-16,21,23-24H2,1H3,(H,35,38)/t27-,28-,33?
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 199n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114984
PNG
(CHEMBL296906 | Naphthalene-1-sulfonic acid [6-(3-n...)
Show SMILES O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1cccc2ccccc12
Show InChI InChI=1S/C27H29N3O3S/c31-27(30-25-17-9-13-21-11-3-5-15-23(21)25)28-19-7-1-2-8-20-29-34(32,33)26-18-10-14-22-12-4-6-16-24(22)26/h3-6,9-18,29H,1-2,7-8,19-20H2,(H2,28,30,31)
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 231n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114983
PNG
(CHEMBL299579 | Naphthalene-2-carboxylic acid [6-(2...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H25N3O5S/c27-23(20-14-13-18-9-3-4-10-19(18)17-20)24-15-7-1-2-8-16-25-32(30,31)22-12-6-5-11-21(22)26(28)29/h3-6,9-14,17,25H,1-2,7-8,15-16H2,(H,24,27)
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 412n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114988
PNG
(CHEMBL296387 | N-[6-(Naphthalene-1-sulfonylamino)-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCCCCCNS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C32H37N3O5S2/c1-25-18-20-28(21-19-25)41(37,38)35-30(24-26-12-5-4-6-13-26)32(36)33-22-9-2-3-10-23-34-42(39,40)31-17-11-15-27-14-7-8-16-29(27)31/h4-8,11-21,30,34-35H,2-3,9-10,22-24H2,1H3,(H,33,36)
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 426n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114987
PNG
(1,2,3,4-Tetrahydro-naphthalene-2-carboxylic acid {...)
Show SMILES [O-][N+](=O)c1cccc2ccc(cc12)S(=O)(=O)NC[C@H]1CC[C@H](CNC(=O)C2CCc3ccccc3C2)CC1 |wU:18.19,wD:21.23,(-1.05,-1.99,;-2.38,-2.76,;-3.73,-2,;-2.38,-4.31,;-3.71,-5.08,;-3.71,-6.62,;-2.38,-7.4,;-1.04,-6.62,;.29,-7.37,;1.62,-6.6,;1.62,-5.06,;.29,-4.29,;-1.04,-5.06,;2.95,-4.29,;3.56,-2.86,;1.53,-3.66,;4.36,-4.89,;5.62,-3.98,;7.05,-4.59,;8.31,-3.68,;9.71,-4.31,;9.87,-5.85,;11.28,-6.48,;12.54,-5.57,;13.94,-6.2,;14.11,-7.72,;15.21,-5.29,;15.02,-3.77,;16.28,-2.86,;17.68,-3.49,;18.95,-2.6,;20.33,-3.23,;20.49,-4.78,;19.23,-5.67,;17.85,-5.03,;16.61,-5.92,;8.61,-6.77,;7.21,-6.13,)|
Show InChI InChI=1S/C29H33N3O5S/c33-29(25-13-12-22-4-1-2-5-24(22)16-25)30-18-20-8-10-21(11-9-20)19-31-38(36,37)26-15-14-23-6-3-7-28(32(34)35)27(23)17-26/h1-7,14-15,17,20-21,25,31H,8-13,16,18-19H2,(H,30,33)/t20-,21-,25?
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 724n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114989
PNG
(1,2,3,4-Tetrahydro-naphthalene-2-carboxylic acid [...)
Show SMILES O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)C1CCc2ccccc2C1
Show InChI InChI=1S/C27H32N2O3S/c30-27(24-17-16-21-10-3-4-12-23(21)20-24)28-18-7-1-2-8-19-29-33(31,32)26-15-9-13-22-11-5-6-14-25(22)26/h3-6,9-15,24,29H,1-2,7-8,16-20H2,(H,28,30)
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 724n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114993
PNG
(CHEMBL48904 | N-[4-(3-Naphthalen-1-yl-ureido)-buty...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCNC(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C21H22N4O5S/c26-21(24-18-11-7-9-16-8-1-2-10-17(16)18)22-14-5-6-15-23-31(29,30)20-13-4-3-12-19(20)25(27)28/h1-4,7-13,23H,5-6,14-15H2,(H2,22,24,26)
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 724n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114995
PNG
(1,2,3,4-Tetrahydro-naphthalene-2-carboxylic acid {...)
Show SMILES O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)C1CCc2ccccc2C1 |wU:7.7,wD:4.3,(8.97,-2.54,;9.74,-1.2,;8.97,.13,;7.43,.13,;6.63,-1.21,;5.09,-1.21,;4.32,-2.55,;5.09,-3.88,;4.32,-5.21,;2.76,-5.21,;1.99,-3.86,;3.34,-3.09,;1.22,-2.52,;.66,-4.62,;.65,-6.14,;-.68,-6.91,;-2.02,-6.14,;-2,-4.6,;-3.33,-3.83,;-3.33,-2.32,;-1.98,-1.55,;-.67,-2.32,;-.67,-3.83,;6.63,-3.88,;7.4,-2.55,;11.28,-1.2,;12.05,-2.53,;13.61,-2.53,;14.38,-1.2,;15.92,-1.2,;16.69,.13,;15.92,1.47,;14.38,1.47,;13.61,.13,;12.05,.13,)|
Show InChI InChI=1S/C29H34N2O3S/c32-29(26-17-16-23-6-1-2-8-25(23)18-26)30-19-21-12-14-22(15-13-21)20-31-35(33,34)28-11-5-9-24-7-3-4-10-27(24)28/h1-11,21-22,26,31H,12-20H2,(H,30,32)/t21-,22-,26?
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PC sid
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 4.12E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50114990
PNG
(1,2,3,4-Tetrahydro-naphthalene-2-carboxylic acid {...)
Show SMILES O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1)C1CCc2ccccc2C1 |wU:7.7,wD:4.3,(11.06,-5.39,;10.9,-3.87,;9.49,-3.23,;8.23,-4.15,;6.83,-3.52,;6.66,-1.97,;5.25,-1.34,;3.98,-2.25,;2.57,-1.64,;1.31,-2.56,;-.09,-1.95,;.51,-.52,;-1.52,-1.32,;-1.43,-2.72,;-1.43,-4.26,;-2.76,-5.03,;-4.09,-4.29,;-5.44,-5.06,;-6.77,-4.29,;-6.77,-2.74,;-5.44,-1.97,;-4.11,-2.72,;-2.77,-1.95,;4.16,-3.8,;5.56,-4.43,;12.14,-2.95,;11.97,-1.43,;13.23,-.52,;14.64,-1.15,;15.88,-.27,;17.28,-.9,;17.44,-2.44,;16.18,-3.33,;14.79,-2.7,;13.55,-3.59,)|
Show InChI InChI=1S/C29H34N2O3S/c32-29(27-14-13-23-5-1-3-7-25(23)17-27)30-19-21-9-11-22(12-10-21)20-31-35(33,34)28-16-15-24-6-2-4-8-26(24)18-28/h1-8,15-16,18,21-22,27,31H,9-14,17,19-20H2,(H,30,32)/t21-,22-,27?
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes

Bioorg Med Chem Lett 12: 1771-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44C0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%