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Compile Data Set for Download or QSAR

Found 454 hits with Last Name = 'omori' and Initial = 'n'   
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


(Mus musculus (Mouse))
BDBM141347
PNG
(US8916594, I-024)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccccc1 |r,wU:8.7,wD:11.14,(-9.5,.87,;-8.16,.1,;-8.16,-1.44,;-6.83,.87,;-7.6,2.21,;-6.06,2.21,;-5.5,.1,;-4.16,.87,;-2.83,.1,;-1.49,.87,;-.16,.1,;-.16,-1.44,;-1.49,-2.21,;-2.83,-1.44,;1.17,-2.21,;2.51,-1.44,;3.97,-1.91,;4.88,-.67,;3.97,.58,;2.51,.1,;6.42,-.67,;7.19,-2,;8.73,-2,;9.5,-.67,;8.73,.67,;7.19,.67,)|
Show InChI InChI=1S/C18H26N4O3S/c1-13(2)26(23,24)19-12-14-8-10-16(11-9-14)20-18-21-17(22-25-18)15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-12H2,1-2H3,(H,20,21,22)/t14-,16-
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n/an/a 0.130n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50390216
PNG
(CHEMBL2070151)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(Cl)c(c1)-c1ccccc1
Show InChI InChI=1S/C21H17ClN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)15-8-10-18(22)17(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24)
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n/an/a 0.160n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50390219
PNG
(CHEMBL2070148)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(F)c(c1)-c1ccccc1
Show InChI InChI=1S/C21H17FN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)15-8-10-18(22)17(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24)
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n/an/a 0.160n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141350
PNG
(US8916594, I-034)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cc1F |r,wU:7.6,wD:10.13,(-10.27,.87,;-8.93,.1,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;6.42,.67,;5.65,2,)|
Show InChI InChI=1S/C17H22F2N4O3S/c1-2-27(24,25)20-10-11-3-6-13(7-4-11)21-17-22-16(23-26-17)14-8-5-12(18)9-15(14)19/h5,8-9,11,13,20H,2-4,6-7,10H2,1H3,(H,21,22,23)/t11-,13-
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n/an/a 0.180n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141345
PNG
(US8916594, I-018)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(F)c1 |r,wU:8.7,wD:11.14,(-9.5,.87,;-8.16,.1,;-8.16,-1.44,;-6.83,.87,;-7.6,2.21,;-6.06,2.21,;-5.5,.1,;-4.16,.87,;-2.83,.1,;-1.49,.87,;-.16,.1,;-.16,-1.44,;-1.49,-2.21,;-2.83,-1.44,;1.17,-2.21,;2.51,-1.44,;3.97,-1.91,;4.88,-.67,;3.97,.58,;2.51,.1,;6.42,-.67,;7.19,-2,;8.73,-2,;9.5,-.67,;8.73,.67,;9.5,2,;7.19,.67,)|
Show InChI InChI=1S/C18H25FN4O3S/c1-12(2)27(24,25)20-11-13-6-8-16(9-7-13)21-18-22-17(23-26-18)14-4-3-5-15(19)10-14/h3-5,10,12-13,16,20H,6-9,11H2,1-2H3,(H,21,22,23)/t13-,16-
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n/an/a 0.200n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50390213
PNG
(CHEMBL2069316)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(C)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O2S/c1-3-27(25,26)18-11-12-20-21(14-18)24-22(23-20)17-10-9-15(2)19(13-17)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394224
PNG
(CHEMBL2159167)
Show SMILES FC(F)(F)CS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C19H18F3N3O3S/c20-19(21,22)12-29(26,27)14-6-7-15-16(10-14)24-18(23-15)25-8-9-28-17(11-25)13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,23,24)
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n/an/a 0.210n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141349
PNG
(US8916594, I-029)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)c(F)c1 |r,wU:7.6,wD:10.13,(-10.27,.87,;-8.93,.1,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;8.73,2,;6.42,.67,)|
Show InChI InChI=1S/C17H22F2N4O3S/c1-2-27(24,25)20-10-11-3-6-13(7-4-11)21-17-22-16(23-26-17)12-5-8-14(18)15(19)9-12/h5,8-9,11,13,20H,2-4,6-7,10H2,1H3,(H,21,22,23)/t11-,13-
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US Patent
n/an/a 0.220n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141344
PNG
(US8916594, I-017)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(F)c1 |r,wU:7.6,wD:10.13,(-9.5,.87,;-8.16,.1,;-6.83,.87,;-7.6,2.21,;-6.06,2.21,;-5.5,.1,;-4.16,.87,;-2.83,.1,;-1.49,.87,;-.16,.1,;-.16,-1.44,;-1.49,-2.21,;-2.83,-1.44,;1.17,-2.21,;2.51,-1.44,;3.97,-1.91,;4.88,-.67,;3.97,.58,;2.51,.1,;6.42,-.67,;7.19,-2,;8.73,-2,;9.5,-.67,;8.73,.67,;9.5,2,;7.19,.67,)|
Show InChI InChI=1S/C17H23FN4O3S/c1-2-26(23,24)19-11-12-6-8-15(9-7-12)20-17-21-16(22-25-17)13-4-3-5-14(18)10-13/h3-5,10,12,15,19H,2,6-9,11H2,1H3,(H,20,21,22)/t12-,15-
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n/an/a 0.220n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141351
PNG
(US8916594, I-053)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cc(F)cc(F)c1 |r,wU:7.6,wD:10.13,(-9.5,1.44,;-8.16,.67,;-6.83,1.44,;-7.6,2.77,;-6.06,2.77,;-5.5,.67,;-4.16,1.44,;-2.83,.67,;-1.49,1.44,;-.16,.67,;-.16,-.87,;-1.49,-1.64,;-2.83,-.87,;1.17,-1.64,;2.51,-.87,;3.97,-1.35,;4.88,-.1,;3.97,1.14,;2.51,.67,;6.42,-.1,;7.19,1.23,;8.73,1.23,;9.5,2.56,;9.5,-.1,;8.73,-1.44,;9.5,-2.77,;7.19,-1.44,)|
Show InChI InChI=1S/C17H22F2N4O3S/c1-2-27(24,25)20-10-11-3-5-15(6-4-11)21-17-22-16(23-26-17)12-7-13(18)9-14(19)8-12/h7-9,11,15,20H,2-6,10H2,1H3,(H,21,22,23)/t11-,15-
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n/an/a 0.230n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394211
PNG
(CHEMBL2159165)
Show SMILES CC(C)CS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C21H25N3O3S/c1-15(2)14-28(25,26)17-8-9-18-19(12-17)23-21(22-18)24-10-11-27-20(13-24)16-6-4-3-5-7-16/h3-9,12,15,20H,10-11,13-14H2,1-2H3,(H,22,23)
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n/an/a 0.280n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50390228
PNG
(CHEMBL2070161)
Show SMILES FC(F)(F)CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1
Show InChI InChI=1S/C20H14F3N3O3S/c21-20(22,23)12-30(28,29)15-7-8-16-17(10-15)25-19(24-16)13-6-9-18(27)26(11-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25)
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n/an/a 0.290n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394221
PNG
(CHEMBL2159158)
Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C21H25N3O2S/c1-2-13-27(25,26)18-10-11-19-20(14-18)23-21(22-19)24-12-6-9-17(15-24)16-7-4-3-5-8-16/h3-5,7-8,10-11,14,17H,2,6,9,12-13,15H2,1H3,(H,22,23)
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n/an/a 0.290n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50390232
PNG
(CHEMBL2070157)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)16-8-9-17-19(13-16)23-20(22-17)15-10-11-21-18(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
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n/an/a 0.310n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141342
PNG
(US8916594, I-006)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cc1 |r,wU:7.6,wD:10.13,(-10.27,.87,;-8.93,.1,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;6.42,.67,)|
Show InChI InChI=1S/C17H23FN4O3S/c1-2-26(23,24)19-11-12-3-9-15(10-4-12)20-17-21-16(22-25-17)13-5-7-14(18)8-6-13/h5-8,12,15,19H,2-4,9-11H2,1H3,(H,20,21,22)/t12-,15-
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US Patent
n/an/a 0.320n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141343
PNG
(US8916594, I-011)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccccc1 |r,wU:7.6,wD:10.13,(-9.5,.87,;-8.16,.1,;-6.83,.87,;-7.6,2.21,;-6.06,2.21,;-5.5,.1,;-4.16,.87,;-2.83,.1,;-1.49,.87,;-.16,.1,;-.16,-1.44,;-1.49,-2.21,;-2.83,-1.44,;1.17,-2.21,;2.51,-1.44,;3.97,-1.91,;4.88,-.67,;3.97,.58,;2.51,.1,;6.42,-.67,;7.19,-2,;8.73,-2,;9.5,-.67,;8.73,.67,;7.19,.67,)|
Show InChI InChI=1S/C17H24N4O3S/c1-2-25(22,23)18-12-13-8-10-15(11-9-13)19-17-20-16(21-24-17)14-6-4-3-5-7-14/h3-7,13,15,18H,2,8-12H2,1H3,(H,19,20,21)/t13-,15-
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n/an/a 0.340n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50390225
PNG
(CHEMBL2070140)
Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O2S/c1-2-13-27(25,26)19-11-12-20-21(15-19)24-22(23-20)18-10-6-9-17(14-18)16-7-4-3-5-8-16/h3-12,14-15H,2,13H2,1H3,(H,23,24)
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n/an/a 0.430n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394214
PNG
(CHEMBL2159162)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C19H21N3O3S/c1-2-26(23,24)15-8-9-16-17(12-15)21-19(20-16)22-10-11-25-18(13-22)14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,20,21)
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n/an/a 0.430n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394214
PNG
(CHEMBL2159162)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C19H21N3O3S/c1-2-26(23,24)15-8-9-16-17(12-15)21-19(20-16)22-10-11-25-18(13-22)14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,20,21)
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n/an/a 0.430n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50390222
PNG
(CHEMBL2070137)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O2S/c1-2-26(24,25)18-11-12-19-20(14-18)23-21(22-19)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,22,23)
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n/an/a 0.460n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141357
PNG
(US8916594, I-138)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C1(F)CCCC1 |r,wU:7.6,wD:10.13,(-9.14,.87,;-7.81,.1,;-6.47,.87,;-7.24,2.21,;-5.7,2.21,;-5.14,.1,;-3.81,.87,;-2.47,.1,;-1.14,.87,;.19,.1,;.19,-1.44,;-1.14,-2.21,;-2.47,-1.44,;1.53,-2.21,;2.86,-1.44,;4.33,-1.91,;5.23,-.67,;4.33,.58,;2.86,.1,;6.77,-.67,;6,.67,;7.68,-1.91,;9.14,-1.44,;9.14,.1,;7.68,.58,)|
Show InChI InChI=1S/C16H27FN4O3S/c1-2-25(22,23)18-11-12-5-7-13(8-6-12)19-15-20-14(21-24-15)16(17)9-3-4-10-16/h12-13,18H,2-11H2,1H3,(H,19,20,21)/t12-,13-
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n/an/a 0.5n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50390220
PNG
(CHEMBL2070147)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1F)-c1ccccc1
Show InChI InChI=1S/C21H17FN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)17-12-15(8-10-18(17)22)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24)
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n/an/a 0.540n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50390234
PNG
(CHEMBL2070155)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccn1)-c1ccccc1
Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)16-8-9-17-18(13-16)23-20(22-17)19-12-15(10-11-21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
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n/an/a 0.550n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394218
PNG
(CHEMBL2159156)
Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C20H23N3O3S/c1-2-12-27(24,25)16-8-9-17-18(13-16)22-20(21-17)23-10-11-26-19(14-23)15-6-4-3-5-7-15/h3-9,13,19H,2,10-12,14H2,1H3,(H,21,22)
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n/an/a 0.600n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141361
PNG
(US8916594, I-147)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C1(C)CC(F)(F)C1 |r,wU:8.7,wD:11.14,(-9.71,.87,;-8.38,.1,;-8.38,-1.44,;-7.04,.87,;-7.81,2.21,;-6.27,2.21,;-5.71,.1,;-4.38,.87,;-3.04,.1,;-1.71,.87,;-.38,.1,;-.38,-1.44,;-1.71,-2.21,;-3.04,-1.44,;.96,-2.21,;2.29,-1.44,;3.76,-1.91,;4.66,-.67,;3.76,.58,;2.29,.1,;6.2,-.67,;5.43,.67,;7.29,-1.76,;8.38,-.67,;9.71,.1,;9.71,-1.44,;7.29,.42,)|
Show InChI InChI=1S/C17H28F2N4O3S/c1-11(2)27(24,25)20-8-12-4-6-13(7-5-12)21-15-22-14(23-26-15)16(3)9-17(18,19)10-16/h11-13,20H,4-10H2,1-3H3,(H,21,22,23)/t12-,13-
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n/an/a 0.610n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141364
PNG
(US8916594, I-152)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(F)(F)C(F)(F)F |r,wU:11.14,wD:8.7,(6.58,7.71,;6.58,6.17,;7.91,5.4,;5.25,5.4,;4.48,6.73,;6.02,4.06,;3.91,4.63,;3.91,3.09,;2.58,2.32,;1.24,3.09,;-.09,2.32,;-.09,.78,;1.24,.01,;2.58,.78,;-1.42,.01,;-1.42,-1.53,;-2.67,-2.44,;-2.19,-3.9,;-.65,-3.9,;-.18,-2.44,;-3.1,-5.15,;-4.34,-4.24,;-1.85,-6.05,;-4,-6.4,;-4.91,-7.64,;-5.25,-5.49,;-2.76,-7.3,)|
Show InChI InChI=1S/C14H21F5N4O3S/c1-8(2)27(24,25)20-7-9-3-5-10(6-4-9)21-12-22-11(23-26-12)13(15,16)14(17,18)19/h8-10,20H,3-7H2,1-2H3,(H,21,22,23)/t9-,10-
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n/an/a 0.650n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141355
PNG
(US8916594, I-130)
Show SMILES CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(C)(C)c1ccccc1 |r,wU:9.8,wD:12.15,(-9.5,.31,;-8.16,-.46,;-8.16,-2,;-9.5,-1.23,;-6.83,.31,;-7.6,1.64,;-6.06,1.64,;-5.5,-.46,;-4.16,.31,;-2.83,-.46,;-1.49,.31,;-.16,-.46,;-.16,-2,;-1.49,-2.77,;-2.83,-2,;1.17,-2.77,;2.51,-2,;3.97,-2.48,;4.88,-1.23,;3.97,.02,;2.51,-.46,;6.42,-1.23,;6.42,-2.77,;7.75,-2,;7.19,.1,;8.73,.1,;9.5,1.44,;8.73,2.77,;7.19,2.77,;6.42,1.44,)|
Show InChI InChI=1S/C22H34N4O3S/c1-21(2,3)30(27,28)23-15-16-11-13-18(14-12-16)24-20-25-19(26-29-20)22(4,5)17-9-7-6-8-10-17/h6-10,16,18,23H,11-15H2,1-5H3,(H,24,25,26)/t16-,18-
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n/an/a 0.700n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394223
PNG
(CHEMBL2159166)
Show SMILES FC(F)(F)S(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C18H16F3N3O3S/c19-18(20,21)28(25,26)13-6-7-14-15(10-13)23-17(22-14)24-8-9-27-16(11-24)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,22,23)
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n/an/a 0.730n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141358
PNG
(US8916594, I-143)
Show SMILES CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C1(C)CC(F)(F)C1 |r,wU:9.8,wD:12.15,(-9.71,.87,;-8.38,.1,;-8.38,-1.44,;-9.71,-.67,;-7.04,.87,;-7.81,2.21,;-6.27,2.21,;-5.71,.1,;-4.38,.87,;-3.04,.1,;-1.71,.87,;-.38,.1,;-.38,-1.44,;-1.71,-2.21,;-3.04,-1.44,;.96,-2.21,;2.29,-1.44,;3.76,-1.91,;4.66,-.67,;3.76,.58,;2.29,.1,;6.2,-.67,;5.43,.67,;7.29,-1.76,;8.38,-.67,;9.71,.1,;9.71,-1.44,;7.29,.42,)|
Show InChI InChI=1S/C18H30F2N4O3S/c1-16(2,3)28(25,26)21-9-12-5-7-13(8-6-12)22-15-23-14(24-27-15)17(4)10-18(19,20)11-17/h12-13,21H,5-11H2,1-4H3,(H,22,23,24)/t12-,13-
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n/an/a 0.800n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141353
PNG
(US8916594, I-099)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cn1 |r,wU:8.7,wD:11.14,(-10.27,.87,;-8.93,.1,;-8.93,-1.44,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;6.42,.67,)|
Show InChI InChI=1S/C17H24FN5O3S/c1-11(2)27(24,25)20-9-12-3-6-14(7-4-12)21-17-22-16(23-26-17)15-8-5-13(18)10-19-15/h5,8,10-12,14,20H,3-4,6-7,9H2,1-2H3,(H,21,22,23)/t12-,14-
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n/an/a 0.800n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394228
PNG
(CHEMBL2159171)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccc(C)cc1
Show InChI InChI=1S/C20H23N3O3S/c1-3-27(24,25)16-8-9-17-18(12-16)22-20(21-17)23-10-11-26-19(13-23)15-6-4-14(2)5-7-15/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,21,22)
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n/an/a 0.800n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM141344
PNG
(US8916594, I-017)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(F)c1 |r,wU:7.6,wD:10.13,(-9.5,.87,;-8.16,.1,;-6.83,.87,;-7.6,2.21,;-6.06,2.21,;-5.5,.1,;-4.16,.87,;-2.83,.1,;-1.49,.87,;-.16,.1,;-.16,-1.44,;-1.49,-2.21,;-2.83,-1.44,;1.17,-2.21,;2.51,-1.44,;3.97,-1.91,;4.88,-.67,;3.97,.58,;2.51,.1,;6.42,-.67,;7.19,-2,;8.73,-2,;9.5,-.67,;8.73,.67,;9.5,2,;7.19,.67,)|
Show InChI InChI=1S/C17H23FN4O3S/c1-2-26(23,24)19-11-12-6-8-15(9-7-12)20-17-21-16(22-25-17)13-4-3-5-14(18)10-13/h3-5,10,12,15,19H,2,6-9,11H2,1H3,(H,20,21,22)/t12-,15-
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n/an/a 0.810n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a human NPY Y5 receptor (WO96/16542) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Biol. 8, 466-472). The obtained ...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394227
PNG
(CHEMBL2159170)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O3S/c1-2-27(24,25)15-7-8-16-17(11-15)22-19(21-16)23-9-10-26-18(12-23)13-3-5-14(20)6-4-13/h3-8,11,18H,2,9-10,12H2,1H3,(H,21,22)
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n/an/a 0.850n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141348
PNG
(US8916594, I-027)
Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(F)c1 |r,wU:6.5,wD:9.12,(-8.83,.1,;-7.5,.87,;-8.27,2.21,;-6.73,2.21,;-6.16,.1,;-4.83,.87,;-3.49,.1,;-2.16,.87,;-.83,.1,;-.83,-1.44,;-2.16,-2.21,;-3.49,-1.44,;.51,-2.21,;1.84,-1.44,;3.3,-1.91,;4.21,-.67,;3.3,.58,;1.84,.1,;5.75,-.67,;6.52,-2,;8.06,-2,;8.83,-.67,;8.06,.67,;8.83,2,;6.52,.67,)|
Show InChI InChI=1S/C16H21FN4O3S/c1-25(22,23)18-10-11-5-7-14(8-6-11)19-16-20-15(21-24-16)12-3-2-4-13(17)9-12/h2-4,9,11,14,18H,5-8,10H2,1H3,(H,19,20,21)/t11-,14-
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n/an/a 0.860n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM141349
PNG
(US8916594, I-029)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)c(F)c1 |r,wU:7.6,wD:10.13,(-10.27,.87,;-8.93,.1,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;8.73,2,;6.42,.67,)|
Show InChI InChI=1S/C17H22F2N4O3S/c1-2-27(24,25)20-10-11-3-6-13(7-4-11)21-17-22-16(23-26-17)12-5-8-14(18)15(19)9-12/h5,8-9,11,13,20H,2-4,6-7,10H2,1H3,(H,21,22,23)/t11-,13-
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n/an/a 0.860n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a human NPY Y5 receptor (WO96/16542) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Biol. 8, 466-472). The obtained ...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141354
PNG
(US8916594, I-100)
Show SMILES CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cn1 |r,wU:9.8,wD:12.15,(-10.27,.87,;-8.93,.1,;-8.93,-1.44,;-10.27,-.67,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;6.42,.67,)|
Show InChI InChI=1S/C18H26FN5O3S/c1-18(2,3)28(25,26)21-10-12-4-7-14(8-5-12)22-17-23-16(24-27-17)15-9-6-13(19)11-20-15/h6,9,11-12,14,21H,4-5,7-8,10H2,1-3H3,(H,22,23,24)/t12-,14-
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n/an/a 0.900n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141352
PNG
(US8916594, I-081)
Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(Cl)c1 |r,wU:6.5,wD:9.12,(-8.83,.1,;-7.5,.87,;-8.27,2.21,;-6.73,2.21,;-6.16,.1,;-4.83,.87,;-3.49,.1,;-2.16,.87,;-.83,.1,;-.83,-1.44,;-2.16,-2.21,;-3.49,-1.44,;.51,-2.21,;1.84,-1.44,;3.3,-1.91,;4.21,-.67,;3.3,.58,;1.84,.1,;5.75,-.67,;6.52,-2,;8.06,-2,;8.83,-.67,;8.06,.67,;8.83,2,;6.52,.67,)|
Show InChI InChI=1S/C16H21ClN4O3S/c1-25(22,23)18-10-11-5-7-14(8-6-11)19-16-20-15(21-24-16)12-3-2-4-13(17)9-12/h2-4,9,11,14,18H,5-8,10H2,1H3,(H,19,20,21)/t11-,14-
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n/an/a 0.900n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 1n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 21: 1601-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 1n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis


Bioorg Med Chem Lett 22: 456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 1n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis


Bioorg Med Chem Lett 22: 456-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 1n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 21: 1601-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394222
PNG
(CHEMBL2159174)
Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-2-12-26(24,25)17-8-9-18-19(13-17)22-20(21-18)23-11-10-16(14-23)15-6-4-3-5-7-15/h3-9,13,16H,2,10-12,14H2,1H3,(H,21,22)
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n/an/a 1.01n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141362
PNG
(US8916594, I-149)
Show SMILES CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(F)(F)C(F)(F)F |r,wU:12.15,wD:9.8,(7.36,6.69,;6.02,5.92,;5.25,7.26,;6.79,4.59,;4.69,5.15,;3.92,6.49,;5.46,3.82,;3.36,4.38,;3.36,2.84,;2.02,2.07,;.69,2.84,;-.65,2.07,;-.65,.53,;.69,-.24,;2.02,.53,;-1.98,-.24,;-1.98,-1.78,;-3.23,-2.68,;-2.75,-4.15,;-1.21,-4.15,;-.73,-2.68,;-3.65,-5.39,;-4.9,-4.49,;-2.41,-6.3,;-4.56,-6.64,;-5.47,-7.89,;-5.81,-5.73,;-3.31,-7.54,)|
Show InChI InChI=1S/C15H23F5N4O3S/c1-13(2,3)28(25,26)21-8-9-4-6-10(7-5-9)22-12-23-11(24-27-12)14(16,17)15(18,19)20/h9-10,21H,4-8H2,1-3H3,(H,22,23,24)/t9-,10-
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n/an/a 1.04n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394226
PNG
(CHEMBL2159169)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O3S/c1-2-27(24,25)15-7-8-16-17(11-15)22-19(21-16)23-9-10-26-18(12-23)13-3-5-14(20)6-4-13/h3-8,11,18H,2,9-10,12H2,1H3,(H,21,22)
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n/an/a 1.05n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394213
PNG
(CHEMBL2159163)
Show SMILES CC(C)S(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C20H23N3O3S/c1-14(2)27(24,25)16-8-9-17-18(12-16)22-20(21-17)23-10-11-26-19(13-23)15-6-4-3-5-7-15/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,21,22)
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n/an/a 1.33n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141346
PNG
(US8916594, I-023)
Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cc1 |r,wU:6.5,wD:9.12,(-9.6,.1,;-8.27,.87,;-9.04,2.21,;-7.5,2.21,;-6.93,.1,;-5.6,.87,;-4.26,.1,;-2.93,.87,;-1.6,.1,;-1.6,-1.44,;-2.93,-2.21,;-4.26,-1.44,;-.26,-2.21,;1.07,-1.44,;2.53,-1.91,;3.44,-.67,;2.53,.58,;1.07,.1,;4.98,-.67,;5.75,-2,;7.29,-2,;8.06,-.67,;9.6,-.67,;7.29,.67,;5.75,.67,)|
Show InChI InChI=1S/C16H21FN4O3S/c1-25(22,23)18-10-11-2-8-14(9-3-11)19-16-20-15(21-24-16)12-4-6-13(17)7-5-12/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,20,21)/t11-,14-
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n/an/a 1.40n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394225
PNG
(CHEMBL2159168)
Show SMILES CC(C)(C(F)(F)F)S(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C21H22F3N3O3S/c1-20(2,21(22,23)24)31(28,29)15-8-9-16-17(12-15)26-19(25-16)27-10-11-30-18(13-27)14-6-4-3-5-7-14/h3-9,12,18H,10-11,13H2,1-2H3,(H,25,26)
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n/an/a 1.43n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 6554-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.025
BindingDB Entry DOI: 10.7270/Q21V5G3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141356
PNG
(US8916594, I-136)
Show SMILES CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(F)(F)F |r,wU:9.8,wD:12.15,(-8.73,.87,;-7.39,.1,;-7.39,-1.44,;-8.73,-.67,;-6.06,.87,;-6.83,2.21,;-5.29,2.21,;-4.73,.1,;-3.39,.87,;-2.06,.1,;-.72,.87,;.61,.1,;.61,-1.44,;-.72,-2.21,;-2.06,-1.44,;1.94,-2.21,;3.28,-1.44,;4.74,-1.91,;5.65,-.67,;4.74,.58,;3.28,.1,;7.19,-.67,;7.96,.67,;7.96,-2,;8.73,-.67,)|
Show InChI InChI=1S/C14H23F3N4O3S/c1-13(2,3)25(22,23)18-8-9-4-6-10(7-5-9)19-12-20-11(21-24-12)14(15,16)17/h9-10,18H,4-8H2,1-3H3,(H,19,20,21)/t9-,10-
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n/an/a 1.5n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM141365
PNG
(US8916594, I-153)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(F)(F)C(F)(F)F |r,wU:10.13,wD:7.6,(7.18,7.97,;7.18,6.43,;5.85,5.66,;5.08,6.99,;6.62,4.33,;4.51,4.89,;4.51,3.35,;3.18,2.58,;1.84,3.35,;.51,2.58,;.51,1.04,;1.84,.27,;3.18,1.04,;-.82,.27,;-.82,-1.27,;-2.07,-2.18,;-1.59,-3.64,;-.05,-3.64,;.42,-2.18,;-2.5,-4.89,;-3.74,-3.98,;-1.25,-5.79,;-3.4,-6.13,;-4.31,-7.38,;-4.65,-5.23,;-2.16,-7.04,)|
Show InChI InChI=1S/C13H19F5N4O3S/c1-2-26(23,24)19-7-8-3-5-9(6-4-8)20-11-21-10(22-25-11)12(14,15)13(16,17)18/h8-9,19H,2-7H2,1H3,(H,20,21,22)/t8-,9-
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US Patent
n/an/a 1.67n/an/an/an/a7.425



Shionogi & Co., Ltd.

US Patent


Assay Description
cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Bio...


US Patent US8916594 (2014)


BindingDB Entry DOI: 10.7270/Q21G0K0S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50390233
PNG
(CHEMBL2070156)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)17-8-9-18-19(11-17)23-20(22-18)16-10-15(12-21-13-16)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
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Article
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n/an/a 1.80n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor


Bioorg Med Chem Lett 22: 5498-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z
More data for this
Ligand-Target Pair
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