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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50039613   
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))
BDBM50380913
PNG
(CHEMBL2016732)
Show SMILES CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccccc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(21.96,-24.15,;21.92,-25.7,;20.56,-26.43,;20.55,-27.97,;19.23,-28.74,;17.89,-27.96,;17.89,-26.43,;19.23,-25.66,;18.05,-29.5,;16.65,-30.12,;16.32,-31.63,;15.62,-28.98,;14.08,-28.97,;13.32,-27.65,;14.08,-26.32,;15.62,-26.31,;16.39,-27.64,;23.23,-26.5,;23.3,-28.04,;24.56,-25.72,;25.85,-26.57,;27.3,-26.02,;28.27,-27.22,;27.42,-28.51,;25.93,-28.1,;28.17,-29.86,;27.38,-31.18,;28.13,-32.53,;29.67,-32.55,;30.46,-31.21,;29.71,-29.87,;30.49,-28.55,)|
Show InChI InChI=1S/C24H23FN4O3/c1-28(23(31)26-21-12-15-29(27-21)20-9-5-4-8-19(20)25)16-10-13-24(14-11-16)18-7-3-2-6-17(18)22(30)32-24/h2-9,12,15-16H,10-11,13-14H2,1H3,(H,26,27,31)/t16-,24+
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380915
PNG
(CHEMBL2016682)
Show SMILES CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(-.8,-22.44,;-.84,-23.98,;-2.2,-24.72,;-2.2,-26.26,;-3.53,-27.02,;-4.86,-26.25,;-4.87,-24.71,;-3.53,-23.95,;-4.7,-27.78,;-6.11,-28.41,;-6.44,-29.92,;-7.14,-27.26,;-8.67,-27.26,;-9.44,-25.93,;-8.68,-24.6,;-7.14,-24.6,;-6.37,-25.93,;.47,-24.79,;.54,-26.33,;1.8,-24,;3.09,-24.85,;4.54,-24.3,;5.51,-25.51,;4.66,-26.8,;3.17,-26.39,;5.41,-28.14,;4.62,-29.46,;5.37,-30.81,;6.92,-30.83,;7.71,-29.5,;6.95,-28.16,;7.74,-26.83,)|
Show InChI InChI=1S/C23H22FN5O3/c1-28(22(31)26-20-9-13-29(27-20)19-5-3-2-4-18(19)24)15-6-10-23(11-7-15)17-14-25-12-8-16(17)21(30)32-23/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,26,27,31)/t15-,23+
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380923
PNG
(CHEMBL2016740)
Show SMILES CN([C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:5.8,wD:2.1,(11.79,-13.56,;11.79,-15.1,;10.46,-15.87,;9.13,-15.1,;7.8,-15.86,;7.79,-17.4,;9.12,-18.18,;10.46,-17.41,;7.87,-18.94,;6.42,-19.49,;6.02,-20.97,;5.45,-18.29,;3.92,-18.2,;3.22,-16.83,;4.06,-15.53,;5.61,-15.62,;6.3,-17,;13.13,-15.87,;13.13,-17.41,;14.46,-15.1,;15.79,-15.87,;17.11,-15.1,;18.45,-15.86,;18.45,-17.41,;17.12,-18.18,;15.79,-17.41,;19.78,-18.17,;19.78,-19.72,;21.11,-20.48,;22.45,-19.71,;22.44,-18.17,;21.11,-17.41,)|
Show InChI InChI=1S/C24H23N5O3/c1-29(23(31)28-21-15-26-20(14-27-21)16-5-3-2-4-6-16)17-7-10-24(11-8-17)19-13-25-12-9-18(19)22(30)32-24/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,28,31)/t17-,24-
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0.900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380922
PNG
(CHEMBL2016739)
Show SMILES CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.8,(11.2,-3.59,;11.2,-5.13,;9.87,-5.9,;9.87,-7.44,;8.53,-8.21,;7.19,-7.43,;7.2,-5.9,;8.53,-5.13,;7.27,-8.97,;5.83,-9.52,;5.42,-11.01,;4.86,-8.32,;3.32,-8.23,;2.62,-6.86,;3.47,-5.56,;5.01,-5.65,;5.7,-7.03,;12.53,-5.9,;12.53,-7.44,;13.86,-5.13,;15.2,-5.9,;16.52,-5.13,;17.85,-5.89,;17.86,-7.44,;16.52,-8.21,;15.19,-7.44,;19.19,-8.21,;19.19,-9.75,;20.52,-10.51,;21.85,-9.74,;21.84,-8.2,;20.51,-7.44,)|
Show InChI InChI=1S/C24H23N5O3/c1-29(23(31)28-21-15-26-20(14-27-21)16-5-3-2-4-6-16)17-7-10-24(11-8-17)19-13-25-12-9-18(19)22(30)32-24/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,28,31)/t17-,24+
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123737
PNG
(3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...)
Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50304300
PNG
(CHEMBL595573 | trans-N-[1-(2-fluorophenyl)-3-pyraz...)
Show SMILES Fc1ccccc1-n1ccc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)n1 |r,wU:17.21,wD:14.14,(16.87,-28.98,;15.54,-29.75,;15.54,-31.28,;14.2,-32.06,;12.87,-31.29,;12.87,-29.75,;14.21,-28.98,;14.21,-27.45,;15.45,-26.55,;14.98,-25.08,;13.44,-25.08,;12.53,-23.84,;10.99,-23.84,;10.22,-22.5,;10.22,-25.17,;8.68,-25.17,;7.91,-26.5,;8.68,-27.83,;10.22,-27.83,;10.99,-26.5,;9.6,-29.09,;8.69,-30.34,;9.16,-31.81,;7.21,-29.86,;5.88,-30.63,;4.55,-29.86,;4.55,-28.32,;5.88,-27.55,;7.21,-28.31,;12.96,-26.54,)|
Show InChI InChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)/t14-,22-
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1.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380920
PNG
(CHEMBL2016737)
Show SMILES CN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.19,(1.18,-5.8,;1.14,-7.34,;-.21,-8.07,;-.22,-9.61,;-1.54,-10.37,;-2.87,-9.6,;-2.88,-8.07,;-1.54,-7.3,;-4.21,-8.83,;-5.53,-9.6,;-6.86,-8.83,;-8.2,-9.59,;-8.2,-11.14,;-6.87,-11.91,;-5.54,-11.15,;-4.2,-11.92,;-4.2,-13.46,;-2.86,-11.14,;2.46,-8.14,;2.52,-9.68,;3.79,-7.36,;5.07,-8.21,;6.52,-7.66,;7.48,-8.86,;6.64,-10.15,;5.15,-9.74,;7.39,-11.49,;6.6,-12.81,;7.35,-14.16,;8.89,-14.18,;9.68,-12.85,;8.92,-11.51,;9.71,-10.18,)|
Show InChI InChI=1S/C25H25FN4O3/c1-29(24(32)27-22-12-15-30(28-22)21-9-5-4-8-20(21)26)18-10-13-25(14-11-18)16-17-6-2-3-7-19(17)23(31)33-25/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,27,28,32)/t18-,25+
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2.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380925
PNG
(CHEMBL2016742)
Show SMILES CN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.19,(28.87,3.24,;28.83,1.7,;27.47,.96,;27.47,-.58,;26.14,-1.34,;24.81,-.57,;24.8,.97,;26.14,1.73,;23.47,.2,;22.15,-.57,;20.82,.2,;19.48,-.56,;19.48,-2.11,;20.81,-2.87,;22.14,-2.11,;23.48,-2.88,;23.48,-4.42,;24.82,-2.11,;30.14,.89,;30.21,-.65,;31.47,1.68,;32.81,.92,;34.14,1.69,;35.47,.92,;35.48,-.62,;34.14,-1.4,;32.81,-.62,;36.81,-1.39,;36.81,-2.94,;38.15,-3.71,;39.48,-2.93,;39.47,-1.38,;38.14,-.62,)|
Show InChI InChI=1S/C26H26N4O3/c1-30(25(32)29-23-17-27-22(16-28-23)18-7-3-2-4-8-18)20-11-13-26(14-12-20)15-19-9-5-6-10-21(19)24(31)33-26/h2-10,16-17,20H,11-15H2,1H3,(H,28,29,32)/t20-,26+
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4.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380914
PNG
(S-2367 | VELNEPERIT)
Show SMILES CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |r,wU:8.7,wD:11.14,(16.68,6.49,;16.68,4.95,;15.35,4.18,;15.34,5.72,;18.02,4.19,;19.1,5.29,;19.5,3.8,;18.02,2.65,;19.36,1.88,;20.69,2.66,;22.02,1.88,;22.02,.34,;20.69,-.42,;19.36,.34,;23.35,-.43,;23.35,-1.97,;24.68,.34,;26.02,-.43,;26.01,-1.97,;27.34,-2.74,;28.68,-1.97,;28.67,-.43,;27.34,.34,;30.01,-2.74,;30.01,-4.28,;31.34,-1.97,;31.34,-3.51,)|
Show InChI InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)/t11-,13-
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380919
PNG
(CHEMBL2016736)
Show SMILES CN([C@H]1CC[C@@]2(COc3ccccc23)CC1)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.5,(26.05,3.87,;26.01,2.33,;24.66,1.59,;24.65,.06,;23.33,-.71,;21.99,.06,;22.15,-1.47,;20.74,-2.1,;19.72,-.95,;18.18,-.95,;17.41,.38,;18.18,1.71,;19.72,1.72,;20.49,.38,;21.99,1.6,;23.33,2.37,;27.33,1.53,;27.4,-.02,;28.66,2.31,;29.95,1.46,;31.4,2.01,;32.36,.81,;31.52,-.48,;30.03,-.08,;32.27,-1.83,;31.48,-3.15,;32.23,-4.5,;33.77,-4.52,;34.56,-3.19,;33.81,-1.85,;34.59,-.52,)|
Show InChI InChI=1S/C24H25FN4O2/c1-28(17-10-13-24(14-11-17)16-31-21-9-5-2-6-18(21)24)23(30)26-22-12-15-29(27-22)20-8-4-3-7-19(20)25/h2-9,12,15,17H,10-11,13-14,16H2,1H3,(H,26,27,30)/t17-,24-
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380918
PNG
(CHEMBL2016735)
Show SMILES CN([C@H]1CC[C@]2(CC1)OCc1ccccc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(2.04,3.76,;2,2.21,;.65,1.48,;.64,-.06,;-.69,-.83,;-2.02,-.05,;-2.02,1.48,;-.69,2.25,;-1.86,-1.59,;-3.27,-2.21,;-4.29,-1.07,;-5.83,-1.06,;-6.6,.26,;-5.84,1.59,;-4.29,1.6,;-3.52,.27,;3.32,1.41,;3.39,-.13,;4.65,2.19,;5.94,1.34,;7.39,1.89,;8.35,.69,;7.5,-.6,;6.02,-.19,;8.26,-1.95,;7.46,-3.27,;8.22,-4.62,;9.76,-4.64,;10.55,-3.3,;9.79,-1.96,;10.58,-.64,)|
Show InChI InChI=1S/C24H25FN4O2/c1-28(18-10-13-24(14-11-18)19-7-3-2-6-17(19)16-31-24)23(30)26-22-12-15-29(27-22)21-9-5-4-8-20(21)25/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,26,27,30)/t18-,24+
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380926
PNG
(CHEMBL2016743)
Show SMILES CCN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:3.2,6.20,(-.27,-8.96,;1.04,-9.76,;1,-11.3,;-.35,-12.04,;-.36,-13.58,;-1.68,-14.34,;-3.01,-13.57,;-3.02,-12.03,;-1.68,-11.27,;-4.35,-12.8,;-5.67,-13.57,;-7,-12.8,;-8.34,-13.56,;-8.34,-15.11,;-7.01,-15.88,;-5.68,-15.11,;-4.34,-15.88,;-4.34,-17.42,;-3,-15.11,;2.32,-12.11,;2.39,-13.65,;3.65,-11.33,;4.99,-12.08,;6.32,-11.31,;7.65,-12.08,;7.65,-13.62,;6.32,-14.4,;4.98,-13.63,;8.99,-14.39,;8.99,-15.94,;10.32,-16.71,;11.66,-15.93,;11.65,-14.38,;10.32,-13.62,)|
Show InChI InChI=1S/C27H28N4O3/c1-2-31(26(33)30-24-18-28-23(17-29-24)19-8-4-3-5-9-19)21-12-14-27(15-13-21)16-20-10-6-7-11-22(20)25(32)34-27/h3-11,17-18,21H,2,12-16H2,1H3,(H,29,30,33)/t21-,27+
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380916
PNG
(CHEMBL2016733)
Show SMILES CN([C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:5.8,wD:2.1,(.28,-35.19,;.24,-36.74,;-1.11,-37.47,;-2.45,-36.7,;-3.79,-37.47,;-3.78,-39.01,;-2.45,-39.78,;-1.12,-39.01,;-3.62,-40.54,;-5.03,-41.16,;-5.35,-42.67,;-6.06,-40.02,;-7.59,-40.01,;-8.36,-38.69,;-7.6,-37.36,;-6.05,-37.35,;-5.28,-38.69,;1.56,-37.54,;1.62,-39.08,;2.89,-36.76,;4.18,-37.61,;5.63,-37.06,;6.59,-38.26,;5.74,-39.55,;4.25,-39.14,;6.5,-40.9,;5.7,-42.22,;6.45,-43.57,;8,-43.59,;8.79,-42.26,;8.03,-40.91,;8.82,-39.59,)|
Show InChI InChI=1S/C24H23FN4O3/c1-28(23(31)26-21-12-15-29(27-21)20-9-5-4-8-19(20)25)16-10-13-24(14-11-16)18-7-3-2-6-17(18)22(30)32-24/h2-9,12,15-16H,10-11,13-14H2,1H3,(H,26,27,31)/t16-,24-
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22n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380924
PNG
(CHEMBL2016741)
Show SMILES CN([C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.19,(2.44,4.28,;2.4,2.73,;1.04,2,;1.04,.46,;-.29,-.3,;-1.62,.47,;-1.63,2,;-.29,2.77,;-2.96,1.24,;-4.28,.47,;-5.61,1.24,;-6.95,.48,;-6.95,-1.07,;-5.62,-1.84,;-4.29,-1.08,;-2.95,-1.85,;-2.95,-3.39,;-1.61,-1.07,;3.71,1.93,;3.78,.39,;5.04,2.71,;6.38,1.95,;7.71,2.72,;9.05,1.96,;9.05,.41,;7.71,-.36,;6.38,.41,;10.39,-.36,;10.39,-1.9,;11.72,-2.67,;13.06,-1.9,;13.05,-.35,;11.71,.41,)|
Show InChI InChI=1S/C25H25N5O3/c1-30(24(32)29-22-16-27-21(15-28-22)17-5-3-2-4-6-17)19-7-10-25(11-8-19)13-18-14-26-12-9-20(18)23(31)33-25/h2-6,9,12,14-16,19H,7-8,10-11,13H2,1H3,(H,28,29,32)/t19-,25+
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82n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380921
PNG
(CHEMBL2016738)
Show SMILES CN([C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.19,(24.41,-6.79,;24.37,-8.33,;23.01,-9.07,;23.01,-10.61,;21.68,-11.37,;20.35,-10.6,;20.34,-9.07,;21.68,-8.3,;19.01,-9.83,;17.69,-10.6,;16.36,-9.83,;15.02,-10.59,;15.02,-12.14,;16.35,-12.9,;17.68,-12.14,;19.02,-12.91,;19.02,-14.45,;20.36,-12.14,;25.68,-9.14,;25.75,-10.68,;27.01,-8.36,;28.29,-9.2,;29.74,-8.65,;30.7,-9.86,;29.86,-11.14,;28.37,-10.74,;30.61,-12.49,;29.82,-13.81,;30.57,-15.15,;32.11,-15.18,;32.9,-13.84,;32.15,-12.51,;32.93,-11.18,)|
Show InChI InChI=1S/C24H24FN5O3/c1-29(23(32)27-21-9-13-30(28-21)20-5-3-2-4-19(20)25)17-6-10-24(11-7-17)14-16-15-26-12-8-18(16)22(31)33-24/h2-5,8-9,12-13,15,17H,6-7,10-11,14H2,1H3,(H,27,28,32)/t17-,24+
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188n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380928
PNG
(CHEMBL2016745)
Show SMILES O=C(CC1CCC2(CC1)Cc1ccccc1C(=O)O2)Nc1cnc(cn1)-c1ccccc1 |(3.06,-22.71,;2.99,-21.17,;1.67,-20.37,;.32,-21.1,;.31,-22.64,;-1.01,-23.4,;-2.34,-22.63,;-2.35,-21.1,;-1.01,-20.33,;-3.68,-21.86,;-5.01,-22.63,;-6.33,-21.86,;-7.67,-22.62,;-7.67,-24.17,;-6.34,-24.94,;-5.01,-24.17,;-3.68,-24.95,;-3.67,-26.49,;-2.33,-24.17,;4.32,-20.39,;5.66,-21.14,;6.99,-20.37,;8.32,-21.14,;8.32,-22.69,;6.99,-23.46,;5.65,-22.69,;9.66,-23.46,;9.66,-25,;10.99,-25.77,;12.33,-25,;12.32,-23.45,;10.99,-22.69,)|
Show InChI InChI=1S/C26H25N3O3/c30-24(29-23-17-27-22(16-28-23)19-6-2-1-3-7-19)14-18-10-12-26(13-11-18)15-20-8-4-5-9-21(20)25(31)32-26/h1-9,16-18H,10-15H2,(H,28,29,30)
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301n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380917
PNG
(CHEMBL2016734)
Show SMILES Fc1ccccc1-n1ccc(NC(=O)NC2CCC3(CC2)OC(=O)c2ccncc32)n1 |(30.07,-39.3,;29.29,-40.63,;30.04,-41.97,;29.25,-43.3,;27.71,-43.28,;26.96,-41.94,;27.75,-40.61,;27,-39.27,;27.84,-37.98,;26.88,-36.77,;25.43,-37.32,;24.14,-36.47,;22.81,-37.26,;22.88,-38.8,;21.5,-36.45,;20.14,-37.19,;20.13,-38.73,;18.81,-39.49,;17.47,-38.72,;17.47,-37.18,;18.81,-36.42,;17.63,-40.26,;16.23,-40.88,;15.9,-42.39,;15.2,-39.73,;13.66,-39.73,;12.89,-38.4,;13.66,-37.07,;15.2,-37.07,;15.97,-38.4,;25.51,-38.86,)|
Show InChI InChI=1S/C22H20FN5O3/c23-17-3-1-2-4-18(17)28-12-8-19(27-28)26-21(30)25-14-5-9-22(10-6-14)16-13-24-11-7-15(16)20(29)31-22/h1-4,7-8,11-14H,5-6,9-10H2,(H2,25,26,27,30)
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849n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50380927
PNG
(CHEMBL2016744)
Show SMILES FC(F)(F)CN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:6.5,9.23,(25.73,-7.24,;25.69,-8.78,;24.33,-9.51,;24.35,-8,;27,-9.58,;26.96,-11.12,;25.61,-11.86,;25.6,-13.39,;24.28,-14.16,;22.95,-13.39,;22.94,-11.85,;24.28,-11.09,;21.61,-12.62,;20.28,-13.39,;18.96,-12.61,;17.62,-13.38,;17.62,-14.93,;18.95,-15.69,;20.28,-14.93,;21.61,-15.7,;21.61,-17.24,;22.95,-14.93,;28.28,-11.93,;28.34,-13.47,;29.6,-11.14,;30.95,-11.9,;32.27,-11.13,;33.61,-11.89,;33.61,-13.44,;32.27,-14.21,;30.94,-13.44,;34.94,-14.21,;34.94,-15.76,;36.28,-16.52,;37.61,-15.75,;37.61,-14.2,;36.27,-13.44,)|
Show InChI InChI=1S/C27H25F3N4O3/c28-27(29,30)17-34(25(36)33-23-16-31-22(15-32-23)18-6-2-1-3-7-18)20-10-12-26(13-11-20)14-19-8-4-5-9-21(19)24(35)37-26/h1-9,15-16,20H,10-14,17H2,(H,32,33,36)/t20-,26+
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2.33E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50380922
PNG
(CHEMBL2016739)
Show SMILES CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.8,(11.2,-3.59,;11.2,-5.13,;9.87,-5.9,;9.87,-7.44,;8.53,-8.21,;7.19,-7.43,;7.2,-5.9,;8.53,-5.13,;7.27,-8.97,;5.83,-9.52,;5.42,-11.01,;4.86,-8.32,;3.32,-8.23,;2.62,-6.86,;3.47,-5.56,;5.01,-5.65,;5.7,-7.03,;12.53,-5.9,;12.53,-7.44,;13.86,-5.13,;15.2,-5.9,;16.52,-5.13,;17.85,-5.89,;17.86,-7.44,;16.52,-8.21,;15.19,-7.44,;19.19,-8.21,;19.19,-9.75,;20.52,-10.51,;21.85,-9.74,;21.84,-8.2,;20.51,-7.44,)|
Show InChI InChI=1S/C24H23N5O3/c1-29(23(31)28-21-15-26-20(14-27-21)16-5-3-2-4-6-16)17-7-10-24(11-8-17)19-13-25-12-9-18(19)22(30)32-24/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,28,31)/t17-,24+
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPYY1 assessed as inhibition of [35S]GTPgammaS binding


Bioorg Med Chem Lett 22: 2738-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.098
BindingDB Entry DOI: 10.7270/Q2154J34
More data for this
Ligand-Target Pair