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Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'hwa' and Initial = 'jj'   
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))
BDBM50373621
PNG
(CHEMBL403414)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)Nc1ccc(cc1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H23F2N3O3S/c1-24(19-7-9-25(10-8-19)29(2,27)28)20(26)23-18-5-3-14(4-6-18)15-11-16(21)13-17(22)12-15/h3-6,11-13,19H,7-10H2,1-2H3,(H,23,26)
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373623
PNG
(CHEMBL404461)
Show SMILES CCS(=O)(=O)N1CCC(CC1)N(C)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:16.16,wD:19.23,(10.08,-2.96,;10.08,-1.42,;8.75,-.65,;7.98,-1.98,;9.53,.68,;7.42,.12,;6.08,-.64,;4.76,.13,;4.77,1.66,;6.09,2.44,;7.42,1.67,;3.43,2.43,;3.43,3.97,;2.1,1.66,;2.1,.12,;.77,2.43,;-.57,1.66,;-.56,.13,;-1.9,-.64,;-3.24,.13,;-3.23,1.68,;-1.9,2.44,;-4.57,-.63,;-5.91,.15,;-7.24,-.61,;-8.57,.16,;-7.25,-2.16,;-5.91,-2.93,;-5.91,-4.47,;-4.58,-2.16,)|
Show InChI InChI=1S/C21H31F2N3O3S/c1-3-30(28,29)26-10-8-20(9-11-26)25(2)21(27)24-19-6-4-15(5-7-19)16-12-17(22)14-18(23)13-16/h12-15,19-20H,3-11H2,1-2H3,(H,24,27)/t15-,19-
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0.75n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373639
PNG
(CHEMBL428423)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H28Cl2N4O3S/c1-23(17-5-9-25(10-6-17)29(2,27)28)19(26)22-16-3-7-24(8-4-16)18-12-14(20)11-15(21)13-18/h11-13,16-17H,3-10H2,1-2H3,(H,22,26)
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373624
PNG
(CHEMBL255353)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:15.15,wD:18.22,(28.66,-44.4,;28.66,-45.94,;29.99,-46.71,;29.98,-48.24,;31.3,-49.01,;32.64,-48.25,;32.65,-46.7,;31.31,-45.93,;33.97,-49.02,;35.3,-49.79,;33.2,-50.35,;34.75,-47.69,;27.32,-46.71,;27.32,-48.25,;25.99,-45.94,;24.66,-46.71,;24.66,-48.24,;23.32,-49.01,;21.99,-48.24,;21.99,-46.69,;23.32,-45.93,;20.65,-49,;19.32,-48.22,;17.98,-48.98,;16.65,-48.21,;17.98,-50.53,;19.32,-51.3,;19.32,-52.84,;20.65,-50.53,)|
Show InChI InChI=1S/C20H29F2N3O3S/c1-24(19-7-9-25(10-8-19)29(2,27)28)20(26)23-18-5-3-14(4-6-18)15-11-16(21)13-17(22)12-15/h11-14,18-19H,3-10H2,1-2H3,(H,23,26)/t14-,18-
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373625
PNG
(CHEMBL403918)
Show SMILES CCC(=O)N1CCC(CC1)N(C)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:15.15,wD:18.22,(36.07,-39.93,;34.73,-39.16,;33.4,-39.92,;33.39,-41.46,;32.07,-39.15,;30.73,-39.91,;29.4,-39.14,;29.42,-37.61,;30.74,-36.83,;32.07,-37.6,;28.08,-36.84,;28.08,-35.3,;26.75,-37.61,;26.75,-39.15,;25.41,-36.84,;24.08,-37.61,;24.08,-39.14,;22.74,-39.91,;21.41,-39.14,;21.42,-37.59,;22.75,-36.83,;20.07,-39.9,;20.07,-41.43,;18.74,-42.2,;18.74,-43.74,;17.4,-41.43,;17.41,-39.88,;16.08,-39.11,;18.74,-39.12,)|
Show InChI InChI=1S/C22H31F2N3O2/c1-3-21(28)27-10-8-20(9-11-27)26(2)22(29)25-19-6-4-15(5-7-19)16-12-17(23)14-18(24)13-16/h12-15,19-20H,3-11H2,1-2H3,(H,25,29)/t15-,19-
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1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373626
PNG
(CHEMBL257940)
Show SMILES CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:14.14,wD:17.21,(3.32,-35.53,;3.32,-37.07,;4.66,-37.84,;4.65,-39.37,;5.97,-40.14,;7.31,-39.38,;7.31,-37.84,;5.98,-37.06,;8.64,-40.15,;9.98,-39.39,;8.64,-41.69,;1.99,-37.84,;1.99,-39.38,;.66,-37.07,;-.68,-37.84,;-.67,-39.38,;-2.01,-40.14,;-3.35,-39.37,;-3.34,-37.83,;-2.01,-37.06,;-4.68,-40.13,;-4.69,-41.67,;-6.02,-42.43,;-6.02,-43.97,;-7.36,-41.66,;-7.35,-40.12,;-8.68,-39.34,;-6.01,-39.35,)|
Show InChI InChI=1S/C21H29F2N3O2/c1-14(27)26-9-7-20(8-10-26)25(2)21(28)24-19-5-3-15(4-6-19)16-11-17(22)13-18(23)12-16/h11-13,15,19-20H,3-10H2,1-2H3,(H,24,28)/t15-,19-
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373622
PNG
(CHEMBL255147)
Show SMILES CCCC(=O)N1CCC(CC1)N(C)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:16.16,wD:19.23,(12.07,-14.83,;12.08,-13.29,;13.41,-12.52,;13.42,-10.98,;14.76,-10.22,;12.09,-10.21,;10.75,-10.97,;9.43,-10.2,;9.44,-8.67,;10.76,-7.89,;12.09,-8.67,;8.11,-7.9,;8.11,-6.36,;6.77,-8.67,;6.77,-10.21,;5.44,-7.9,;4.11,-8.67,;4.11,-10.21,;2.77,-10.97,;1.44,-10.2,;1.44,-8.66,;2.77,-7.89,;.1,-10.96,;-1.23,-10.18,;-2.57,-10.95,;-3.9,-10.17,;-2.57,-12.49,;-1.23,-13.26,;-1.23,-14.8,;.1,-12.49,)|
Show InChI InChI=1S/C23H33F2N3O2/c1-3-4-22(29)28-11-9-21(10-12-28)27(2)23(30)26-20-7-5-16(6-8-20)17-13-18(24)15-19(25)14-17/h13-16,20-21H,3-12H2,1-2H3,(H,26,30)/t16-,20-
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373622
PNG
(CHEMBL255147)
Show SMILES CCCC(=O)N1CCC(CC1)N(C)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:16.16,wD:19.23,(12.07,-14.83,;12.08,-13.29,;13.41,-12.52,;13.42,-10.98,;14.76,-10.22,;12.09,-10.21,;10.75,-10.97,;9.43,-10.2,;9.44,-8.67,;10.76,-7.89,;12.09,-8.67,;8.11,-7.9,;8.11,-6.36,;6.77,-8.67,;6.77,-10.21,;5.44,-7.9,;4.11,-8.67,;4.11,-10.21,;2.77,-10.97,;1.44,-10.2,;1.44,-8.66,;2.77,-7.89,;.1,-10.96,;-1.23,-10.18,;-2.57,-10.95,;-3.9,-10.17,;-2.57,-12.49,;-1.23,-13.26,;-1.23,-14.8,;.1,-12.49,)|
Show InChI InChI=1S/C23H33F2N3O2/c1-3-4-22(29)28-11-9-21(10-12-28)27(2)23(30)26-20-7-5-16(6-8-20)17-13-18(24)15-19(25)14-17/h13-16,20-21H,3-12H2,1-2H3,(H,26,30)/t16-,20-
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2.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373649
PNG
(CHEMBL257022)
Show SMILES CC(C)C(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H32F2N4O2/c1-15(2)21(29)28-10-6-19(7-11-28)26(3)22(30)25-18-4-8-27(9-5-18)20-13-16(23)12-17(24)14-20/h12-15,18-19H,4-11H2,1-3H3,(H,25,30)
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2.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373655
PNG
(CHEMBL257707)
Show SMILES CCS(=O)(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H30F2N4O3S/c1-3-30(28,29)26-10-6-18(7-11-26)24(2)20(27)23-17-4-8-25(9-5-17)19-13-15(21)12-16(22)14-19/h12-14,17-18H,3-11H2,1-2H3,(H,23,27)
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2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373656
PNG
(CHEMBL428953)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C19H28F2N4O3S/c1-23(17-5-9-25(10-6-17)29(2,27)28)19(26)22-16-3-7-24(8-4-16)18-12-14(20)11-15(21)13-18/h11-13,16-17H,3-10H2,1-2H3,(H,22,26)
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3.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373653
PNG
(CHEMBL429679)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H32F2N4O3S/c1-15(2)31(29,30)27-10-6-19(7-11-27)25(3)21(28)24-18-4-8-26(9-5-18)20-13-16(22)12-17(23)14-20/h12-15,18-19H,4-11H2,1-3H3,(H,24,28)
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3.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373654
PNG
(CHEMBL257708)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H32F2N4O3S/c1-3-12-31(29,30)27-10-6-19(7-11-27)25(2)21(28)24-18-4-8-26(9-5-18)20-14-16(22)13-17(23)15-20/h13-15,18-19H,3-12H2,1-2H3,(H,24,28)
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3.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373650
PNG
(CHEMBL257248)
Show SMILES CCCC(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H32F2N4O2/c1-3-4-21(29)28-11-7-19(8-12-28)26(2)22(30)25-18-5-9-27(10-6-18)20-14-16(23)13-17(24)15-20/h13-15,18-19H,3-12H2,1-2H3,(H,25,30)
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5.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373651
PNG
(CHEMBL257457)
Show SMILES CCC(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H30F2N4O2/c1-3-20(28)27-10-6-18(7-11-27)25(2)21(29)24-17-4-8-26(9-5-17)19-13-15(22)12-16(23)14-19/h12-14,17-18H,3-11H2,1-2H3,(H,24,29)
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6.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373652
PNG
(CHEMBL401726)
Show SMILES CN(C1CCN(CC1)C(C)=O)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H28F2N4O2/c1-14(27)25-9-5-18(6-10-25)24(2)20(28)23-17-3-7-26(8-4-17)19-12-15(21)11-16(22)13-19/h11-13,17-18H,3-10H2,1-2H3,(H,23,28)
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7.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373642
PNG
(CHEMBL273182)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(Br)c1
Show InChI InChI=1S/C19H29BrN4O3S/c1-22(17-8-12-24(13-9-17)28(2,26)27)19(25)21-16-6-10-23(11-7-16)18-5-3-4-15(20)14-18/h3-5,14,16-17H,6-13H2,1-2H3,(H,21,25)
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8.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373643
PNG
(CHEMBL255352)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H29ClN4O3S/c1-22(17-8-12-24(13-9-17)28(2,26)27)19(25)21-16-6-10-23(11-7-16)18-5-3-4-15(20)14-18/h3-5,14,16-17H,6-13H2,1-2H3,(H,21,25)
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373637
PNG
(CHEMBL404398)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(C)c1
Show InChI InChI=1S/C20H32N4O3S/c1-16-5-4-6-19(15-16)23-11-7-17(8-12-23)21-20(25)22(2)18-9-13-24(14-10-18)28(3,26)27/h4-6,15,17-18H,7-14H2,1-3H3,(H,21,25)
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373636
PNG
(CHEMBL404304)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C20H29N5O3S/c1-23(18-8-12-25(13-9-18)29(2,27)28)20(26)22-17-6-10-24(11-7-17)19-5-3-4-16(14-19)15-21/h3-5,14,17-18H,6-13H2,1-2H3,(H,22,26)
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27n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373644
PNG
(CHEMBL404462)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(F)c1
Show InChI InChI=1S/C19H29FN4O3S/c1-22(17-8-12-24(13-9-17)28(2,26)27)19(25)21-16-6-10-23(11-7-16)18-5-3-4-15(20)14-18/h3-5,14,16-17H,6-13H2,1-2H3,(H,21,25)
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35n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373632
PNG
(CHEMBL270890)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H28Cl2N4O3S/c1-23(15-7-11-25(12-8-15)29(2,27)28)19(26)22-14-5-9-24(10-6-14)16-3-4-17(20)18(21)13-16/h3-4,13-15H,5-12H2,1-2H3,(H,22,26)
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48n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373646
PNG
(CHEMBL402557)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C20H32N4O3S/c1-16-6-4-5-7-19(16)23-12-8-17(9-13-23)21-20(25)22(2)18-10-14-24(15-11-18)28(3,26)27/h4-7,17-18H,8-15H2,1-3H3,(H,21,25)
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52n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373627
PNG
(CHEMBL257939)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1ccccc1 |wU:15.15,wD:18.22,(28.29,-27.24,;28.29,-28.78,;29.63,-29.55,;29.61,-31.08,;30.94,-31.85,;32.28,-31.09,;32.28,-29.55,;30.95,-28.77,;33.61,-31.86,;34.94,-32.63,;32.84,-33.2,;34.39,-30.53,;26.96,-29.55,;26.96,-31.09,;25.62,-28.78,;24.29,-29.55,;24.29,-31.08,;22.95,-31.85,;21.62,-31.08,;21.63,-29.54,;22.96,-28.77,;20.28,-31.84,;18.95,-31.06,;17.62,-31.83,;17.61,-33.37,;18.95,-34.14,;20.28,-33.38,)|
Show InChI InChI=1S/C20H31N3O3S/c1-22(19-12-14-23(15-13-19)27(2,25)26)20(24)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-19H,8-15H2,1-2H3,(H,21,24)/t17-,18-
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52n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373638
PNG
(CHEMBL403223)
Show SMILES CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1ccccc1 |wU:14.14,wD:17.21,(3.82,-27.35,;3.82,-28.89,;5.16,-29.66,;5.14,-31.2,;6.47,-31.97,;7.81,-31.2,;7.81,-29.66,;6.48,-28.88,;9.14,-31.98,;10.48,-31.21,;9.13,-33.52,;2.49,-29.66,;2.49,-31.2,;1.16,-28.89,;-.18,-29.66,;-.17,-31.2,;-1.52,-31.97,;-2.85,-31.19,;-2.84,-29.65,;-1.51,-28.89,;-4.19,-31.96,;-5.52,-31.18,;-6.85,-31.94,;-6.86,-33.49,;-5.52,-34.26,;-4.19,-33.49,)|
Show InChI InChI=1S/C21H31N3O2/c1-16(25)24-14-12-20(13-15-24)23(2)21(26)22-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,8-15H2,1-2H3,(H,22,26)/t18-,19-
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59n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373645
PNG
(CHEMBL403282)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C19H29FN4O3S/c1-22(16-9-13-24(14-10-16)28(2,26)27)19(25)21-15-7-11-23(12-8-15)18-6-4-3-5-17(18)20/h3-6,15-16H,7-14H2,1-2H3,(H,21,25)
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88n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373633
PNG
(CHEMBL403622)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H29ClN4O3S/c1-22(17-9-13-24(14-10-17)28(2,26)27)19(25)21-16-7-11-23(12-8-16)18-5-3-15(20)4-6-18/h3-6,16-17H,7-14H2,1-2H3,(H,21,25)
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130n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373630
PNG
(CHEMBL256885)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H28ClFN4O3S/c1-23(15-7-11-25(12-8-15)29(2,27)28)19(26)22-14-5-9-24(10-6-14)16-3-4-18(21)17(20)13-16/h3-4,13-15H,5-12H2,1-2H3,(H,22,26)
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160n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373641
PNG
(CHEMBL272964)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(c1)C(C)=O
Show InChI InChI=1S/C21H32N4O4S/c1-16(26)17-5-4-6-20(15-17)24-11-7-18(8-12-24)22-21(27)23(2)19-9-13-25(14-10-19)30(3,28)29/h4-6,15,18-19H,7-14H2,1-3H3,(H,22,27)
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164n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373648
PNG
(CHEMBL255800)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H30N4O3S/c1-21(17-10-14-23(15-11-17)27(2,25)26)19(24)20-16-8-12-22(13-9-16)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H,20,24)
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303n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373635
PNG
(CHEMBL273180)
Show SMILES COc1cccc(c1)N1CCC(CC1)NC(=O)N(C)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H32N4O4S/c1-22(17-9-13-24(14-10-17)29(3,26)27)20(25)21-16-7-11-23(12-8-16)18-5-4-6-19(15-18)28-2/h4-6,15-17H,7-14H2,1-3H3,(H,21,25)
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311n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373631
PNG
(CHEMBL408153)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H28F2N4O3S/c1-23(15-7-11-25(12-8-15)29(2,27)28)19(26)22-14-5-9-24(10-6-14)16-3-4-17(20)18(21)13-16/h3-4,13-15H,5-12H2,1-2H3,(H,22,26)
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312n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373647
PNG
(CHEMBL255390)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C18H29N5O3S/c1-21(16-7-12-23(13-8-16)27(2,25)26)18(24)20-15-5-10-22(11-6-15)17-4-3-9-19-14-17/h3-4,9,14-16H,5-8,10-13H2,1-2H3,(H,20,24)
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405n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373628
PNG
(CHEMBL256592)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1 |wU:18.22,15.15,(27.96,-17.16,;27.96,-18.7,;29.3,-19.47,;29.29,-21,;30.61,-21.77,;31.95,-21.01,;31.95,-19.47,;30.62,-18.69,;33.28,-21.78,;34.61,-22.55,;32.51,-23.12,;34.06,-20.45,;26.63,-19.47,;26.63,-21.01,;25.3,-18.7,;23.96,-19.47,;23.97,-21,;22.63,-21.77,;21.29,-21,;21.3,-19.46,;22.63,-18.69,;19.96,-21.76,;18.63,-20.98,;17.29,-21.75,;17.28,-23.29,;18.62,-24.06,;19.95,-23.3,)|
Show InChI InChI=1S/C20H31N3O3S/c1-22(19-12-14-23(15-13-19)27(2,25)26)20(24)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-19H,8-15H2,1-2H3,(H,21,24)/t17-,18+
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500n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373634
PNG
(CHEMBL270999)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H29FN4O3S/c1-22(17-9-13-24(14-10-17)28(2,26)27)19(25)21-16-7-11-23(12-8-16)18-5-3-15(20)4-6-18/h3-6,16-17H,7-14H2,1-2H3,(H,21,25)
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799n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373640
PNG
(CHEMBL270997)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H29BrN4O3S/c1-22(17-9-13-24(14-10-17)28(2,26)27)19(25)21-16-7-11-23(12-8-16)18-5-3-15(20)4-6-18/h3-6,16-17H,7-14H2,1-2H3,(H,21,25)
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819n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50373629
PNG
(CHEMBL272062)
Show SMILES CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1 |wU:17.21,14.14,(3.53,-16.71,;3.53,-18.25,;4.87,-19.02,;4.86,-20.55,;6.18,-21.32,;7.52,-20.56,;7.52,-19.01,;6.19,-18.24,;8.85,-21.33,;10.19,-20.57,;8.85,-22.87,;2.2,-19.02,;2.2,-20.56,;.87,-18.25,;-.47,-19.02,;-.46,-20.55,;-1.8,-21.32,;-3.14,-20.55,;-3.13,-19.01,;-1.8,-18.24,;-4.47,-21.31,;-5.8,-20.53,;-7.14,-21.3,;-7.15,-22.84,;-5.81,-23.61,;-4.48,-22.84,)|
Show InChI InChI=1S/C21H31N3O2/c1-16(25)24-14-12-20(13-15-24)23(2)21(26)22-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-7,18-20H,8-15H2,1-2H3,(H,22,26)/t18-,19+
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>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50373626
PNG
(CHEMBL257940)
Show SMILES CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:14.14,wD:17.21,(3.32,-35.53,;3.32,-37.07,;4.66,-37.84,;4.65,-39.37,;5.97,-40.14,;7.31,-39.38,;7.31,-37.84,;5.98,-37.06,;8.64,-40.15,;9.98,-39.39,;8.64,-41.69,;1.99,-37.84,;1.99,-39.38,;.66,-37.07,;-.68,-37.84,;-.67,-39.38,;-2.01,-40.14,;-3.35,-39.37,;-3.34,-37.83,;-2.01,-37.06,;-4.68,-40.13,;-4.69,-41.67,;-6.02,-42.43,;-6.02,-43.97,;-7.36,-41.66,;-7.35,-40.12,;-8.68,-39.34,;-6.01,-39.35,)|
Show InChI InChI=1S/C21H29F2N3O2/c1-14(27)26-9-7-20(8-10-26)25(2)21(28)24-19-5-3-15(4-6-19)16-11-17(22)13-18(23)12-16/h11-13,15,19-20H,3-10H2,1-2H3,(H,24,28)/t15-,19-
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y1 receptor


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50373626
PNG
(CHEMBL257940)
Show SMILES CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:14.14,wD:17.21,(3.32,-35.53,;3.32,-37.07,;4.66,-37.84,;4.65,-39.37,;5.97,-40.14,;7.31,-39.38,;7.31,-37.84,;5.98,-37.06,;8.64,-40.15,;9.98,-39.39,;8.64,-41.69,;1.99,-37.84,;1.99,-39.38,;.66,-37.07,;-.68,-37.84,;-.67,-39.38,;-2.01,-40.14,;-3.35,-39.37,;-3.34,-37.83,;-2.01,-37.06,;-4.68,-40.13,;-4.69,-41.67,;-6.02,-42.43,;-6.02,-43.97,;-7.36,-41.66,;-7.35,-40.12,;-8.68,-39.34,;-6.01,-39.35,)|
Show InChI InChI=1S/C21H29F2N3O2/c1-14(27)26-9-7-20(8-10-26)25(2)21(28)24-19-5-3-15(4-6-19)16-11-17(22)13-18(23)12-16/h11-13,15,19-20H,3-10H2,1-2H3,(H,24,28)/t15-,19-
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y2 receptor


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50373626
PNG
(CHEMBL257940)
Show SMILES CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:14.14,wD:17.21,(3.32,-35.53,;3.32,-37.07,;4.66,-37.84,;4.65,-39.37,;5.97,-40.14,;7.31,-39.38,;7.31,-37.84,;5.98,-37.06,;8.64,-40.15,;9.98,-39.39,;8.64,-41.69,;1.99,-37.84,;1.99,-39.38,;.66,-37.07,;-.68,-37.84,;-.67,-39.38,;-2.01,-40.14,;-3.35,-39.37,;-3.34,-37.83,;-2.01,-37.06,;-4.68,-40.13,;-4.69,-41.67,;-6.02,-42.43,;-6.02,-43.97,;-7.36,-41.66,;-7.35,-40.12,;-8.68,-39.34,;-6.01,-39.35,)|
Show InChI InChI=1S/C21H29F2N3O2/c1-14(27)26-9-7-20(8-10-26)25(2)21(28)24-19-5-3-15(4-6-19)16-11-17(22)13-18(23)12-16/h11-13,15,19-20H,3-10H2,1-2H3,(H,24,28)/t15-,19-
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPY Y4 receptor


Bioorg Med Chem Lett 18: 1146-50 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635768
PNG
(US20230365530, Example 3)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
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n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635792
PNG
(US20230365530, Example 6)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCC1
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n/an/a<100n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635794
PNG
(US20230365530, Example 8)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCCCC1
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n/an/a<100n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635795
PNG
(US20230365530, Example 9)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCC2(CCCC2)C1
PDB

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n/an/a<100n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635798
PNG
(US20230365530, Example 12)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1CCCCC1
PDB

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n/an/a<100n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635800
PNG
(US20230365530, Example 14)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N(C)C
PDB

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n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635802
PNG
(US20230365530, Example 16 | US20230365530, Example...)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCCC1
PDB

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n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635803
PNG
(US20230365530, Example 17)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCN(C)CC1
PDB

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n/an/a<100n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635810
PNG
(US20230365530, Example 24)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
PDB

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n/an/a<100n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635822
PNG
(US20230365530, Example 36)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCCCC1
PDB

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n/an/a<100n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
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