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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50013307   
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 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128931
PNG
(CHEMBL61880 | N-(9-Isobutyl-9H-carbazol-3-yl)-3-py...)
Show SMILES CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C23H29N3O/c1-17(2)16-26-21-8-4-3-7-19(21)20-15-18(9-10-22(20)26)24-23(27)11-14-25-12-5-6-13-25/h3-4,7-10,15,17H,5-6,11-14,16H2,1-2H3,(H,24,27)
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0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128927
PNG
(CHEMBL59680 | N-(9-Ethyl-9H-carbazol-3-yl)-3-morph...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc12
Show InChI InChI=1S/C21H25N3O2/c1-2-24-19-6-4-3-5-17(19)18-15-16(7-8-20(18)24)22-21(25)9-10-23-11-13-26-14-12-23/h3-8,15H,2,9-14H2,1H3,(H,22,25)
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0.840n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128943
PNG
(9-Ethyl-3-(3H-imidazo[4,5-b]pyridin-2-yl)-9H-carba...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C20H16N4/c1-2-24-17-8-4-3-6-14(17)15-12-13(9-10-18(15)24)19-22-16-7-5-11-21-20(16)23-19/h3-12H,2H2,1H3,(H,21,22,23)
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128938
PNG
(2-Benzylamino-N-(9-ethyl-9H-carbazol-3-yl)-acetami...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H23N3O/c1-2-26-21-11-7-6-10-19(21)20-14-18(12-13-22(20)26)25-23(27)16-24-15-17-8-4-3-5-9-17/h3-14,24H,2,15-16H2,1H3,(H,25,27)
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2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128928
PNG
(CHEMBL301638 | N-(9-Isopropyl-9H-carbazol-3-yl)-3-...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C22H27N3O/c1-16(2)25-20-8-4-3-7-18(20)19-15-17(9-10-21(19)25)23-22(26)11-14-24-12-5-6-13-24/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3,(H,23,26)
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3.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128935
PNG
(CHEMBL294305 | N-(9-Ethyl-9H-carbazol-3-yl)-2-pyri...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc12
Show InChI InChI=1S/C21H19N3O/c1-2-24-19-6-4-3-5-17(19)18-14-16(7-8-20(18)24)23-21(25)13-15-9-11-22-12-10-15/h3-12,14H,2,13H2,1H3,(H,23,25)
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4.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128944
PNG
(9-Ethyl-3-(9H-purin-8-yl)-9H-carbazole | CHEMBL611...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2ncncc2[nH]1
Show InChI InChI=1S/C19H15N5/c1-2-24-16-6-4-3-5-13(16)14-9-12(7-8-17(14)24)18-22-15-10-20-11-21-19(15)23-18/h3-11H,2H2,1H3,(H,20,21,22,23)
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128934
PNG
(3-(4,5-Dimethyl-1H-imidazol-2-yl)-9-ethyl-9H-carba...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc(C)c(C)[nH]1
Show InChI InChI=1S/C19H19N3/c1-4-22-17-8-6-5-7-15(17)16-11-14(9-10-18(16)22)19-20-12(2)13(3)21-19/h5-11H,4H2,1-3H3,(H,20,21)
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128939
PNG
(CHEMBL292729 | N-(9-Ethyl-9H-carbazol-3-yl)-3-pyrr...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C21H25N3O/c1-2-24-19-8-4-3-7-17(19)18-15-16(9-10-20(18)24)22-21(25)11-14-23-12-5-6-13-23/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,22,25)
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128926
PNG
(CHEMBL304896 | N-(5-Ethyl-6-oxo-5,6-dihydro-phenan...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc2c1=O
Show InChI InChI=1S/C22H19N3O2/c1-2-25-20-6-4-3-5-17(20)19-14-16(7-8-18(19)22(25)27)24-21(26)13-15-9-11-23-12-10-15/h3-12,14H,2,13H2,1H3,(H,24,26)
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12n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128929
PNG
(CHEMBL61879 | N-(9-Ethyl-9H-carbazol-3-yl)-2,2,2-t...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc12
Show InChI InChI=1S/C16H13F3N2O/c1-2-21-13-6-4-3-5-11(13)12-9-10(7-8-14(12)21)20-15(22)16(17,18)19/h3-9H,2H2,1H3,(H,20,22)
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128932
PNG
(9-Ethyl-3-(4-methyl-5-phenyl-1H-imidazol-2-yl)-9H-...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc(c(C)[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H21N3/c1-3-27-21-12-8-7-11-19(21)20-15-18(13-14-22(20)27)24-25-16(2)23(26-24)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128925
PNG
(9-Ethyl-3-(1H-imidazo[4,5-c]pyridin-2-yl)-9H-carba...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2ccncc2[nH]1
Show InChI InChI=1S/C20H16N4/c1-2-24-18-6-4-3-5-14(18)15-11-13(7-8-19(15)24)20-22-16-9-10-21-12-17(16)23-20/h3-12H,2H2,1H3,(H,22,23)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128936
PNG
(2,2,2-Trifluoro-N-(9-isopropyl-9H-carbazol-3-yl)-a...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc12
Show InChI InChI=1S/C17H15F3N2O/c1-10(2)22-14-6-4-3-5-12(14)13-9-11(7-8-15(13)22)21-16(23)17(18,19)20/h3-10H,1-2H3,(H,21,23)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128942
PNG
(CHEMBL59866 | N-(5-Isopropyl-6-oxo-5,6-dihydro-phe...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc2c1=O
Show InChI InChI=1S/C23H21N3O2/c1-15(2)26-21-6-4-3-5-18(21)20-14-17(7-8-19(20)23(26)28)25-22(27)13-16-9-11-24-12-10-16/h3-12,14-15H,13H2,1-2H3,(H,25,27)
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128933
PNG
(2-Dimethylamino-N-(9-ethyl-9H-carbazol-3-yl)-aceta...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc12
Show InChI InChI=1S/C18H21N3O/c1-4-21-16-8-6-5-7-14(16)15-11-13(9-10-17(15)21)19-18(22)12-20(2)3/h5-11H,4,12H2,1-3H3,(H,19,22)
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128930
PNG
(2-Dimethylamino-N-(5-isopropyl-6-oxo-5,6-dihydro-p...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)CN(C)C)ccc2c1=O
Show InChI InChI=1S/C20H23N3O2/c1-13(2)23-18-8-6-5-7-15(18)17-11-14(9-10-16(17)20(23)25)21-19(24)12-22(3)4/h5-11,13H,12H2,1-4H3,(H,21,24)
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38n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128924
PNG
(2-Dimethylamino-N-(5-ethyl-6-oxo-5,6-dihydro-phena...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc2c1=O
Show InChI InChI=1S/C19H21N3O2/c1-4-22-17-8-6-5-7-14(17)16-11-13(9-10-15(16)19(22)24)20-18(23)12-21(2)3/h5-11H,4,12H2,1-3H3,(H,20,23)
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41n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128946
PNG
(CHEMBL292560 | N-(5-Ethyl-6-oxo-5,6-dihydro-phenan...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc2c1=O
Show InChI InChI=1S/C17H13F3N2O2/c1-2-22-14-6-4-3-5-11(14)13-9-10(7-8-12(13)15(22)23)21-16(24)17(18,19)20/h3-9H,2H2,1H3,(H,21,24)
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43n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50404042
PNG
(CHEMBL2115090)
Show SMILES CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc12
Show InChI InChI=1S/C22H28N4O/c1-16(2)15-26-19-8-4-3-7-17(19)18-13-21(23-14-20(18)26)24-22(27)9-12-25-10-5-6-11-25/h3-4,7-8,13-14,16H,5-6,9-12,15H2,1-2H3,(H,23,24,27)
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74n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128941
PNG
(2,2,2-Trifluoro-N-(9-methyl-9H-carbazol-3-yl)-acet...)
Show SMILES Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc12
Show InChI InChI=1S/C15H11F3N2O/c1-20-12-5-3-2-4-10(12)11-8-9(6-7-13(11)20)19-14(21)15(16,17)18/h2-8H,1H3,(H,19,21)
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93n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128937
PNG
(9-Ethyl-3-(4-methyl-5-pyridin-2-yl-1H-imidazol-2-y...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc(c(C)[nH]1)-c1ccccn1
Show InChI InChI=1S/C23H20N4/c1-3-27-20-10-5-4-8-17(20)18-14-16(11-12-21(18)27)23-25-15(2)22(26-23)19-9-6-7-13-24-19/h4-14H,3H2,1-2H3,(H,25,26)
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PubMed
101n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128940
PNG
(CHEMBL304245 | N-(5-Ethyl-5,6-dihydro-phenanthridi...)
Show SMILES CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc12
Show InChI InChI=1S/C17H15F3N2O/c1-2-22-10-11-7-8-12(21-16(23)17(18,19)20)9-14(11)13-5-3-4-6-15(13)22/h3-9H,2,10H2,1H3,(H,21,23)
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UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PubMed
385n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50128945
PNG
(2-Dimethylamino-N-(5-ethyl-6-oxo-5,6-dihydro-phena...)
Show SMILES CCn1c2ccccc2c2ccc(NC(=O)CN(C)C)cc2c1=O
Show InChI InChI=1S/C19H21N3O2/c1-4-22-17-8-6-5-7-15(17)14-10-9-13(11-16(14)19(22)24)20-18(23)12-21(2)3/h5-11H,4,12H2,1-3H3,(H,20,23)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.17E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair