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Compile Data Set for Download or QSAR

Found 334 hits with Last Name = 'ishikawa' and Initial = 's'   
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))
BDBM50249779
PNG
(3-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)C#N |r,c:3|
Show InChI InChI=1S/C22H16F2N4/c1-14-22(17-5-8-19(23)9-6-17,18-7-10-20(24)26-13-18)28-21(27-14)16-4-2-3-15(11-16)12-25/h2-11,13-14H,1H3,(H,27,28)/t14-,22-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249739
PNG
(2-[(5S)-4,4-Bis(4-fluorophenyl)-5-methyl-4,5-dihyd...)
Show SMILES C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:3|
Show InChI InChI=1S/C22H16F2N4/c1-14-22(16-2-6-18(23)7-3-16,17-4-8-19(24)9-5-17)28-21(27-14)20-12-15(13-25)10-11-26-20/h2-12,14H,1H3,(H,27,28)/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249806
PNG
(4-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccnc(c1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)14-8-9-25-18(10-14)11-24/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249777
PNG
(2-{(4S,5S)-4-(4-Fluorophenyl)-5-methyl-4-[6-(methy...)
Show SMILES COc1ccc(cn1)[C@@]1(N=C(N[C@H]1C)c1cc(ccn1)C#N)c1ccc(F)cc1 |r,c:10|
Show InChI InChI=1S/C22H18FN5O/c1-14-22(16-3-6-18(23)7-4-16,17-5-8-20(29-2)26-13-17)28-21(27-14)19-11-15(12-24)9-10-25-19/h3-11,13-14H,1-2H3,(H,27,28)/t14-,22-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249758
PNG
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)18-10-14(11-24)8-9-25-18/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249758
PNG
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)18-10-14(11-24)8-9-25-18/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPYY5 receptor


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249833
PNG
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(=O)[nH]1 |r,c:3|
Show InChI InChI=1S/C20H16F2N4O/c1-12-20(13-5-8-15(21)9-6-13,14-7-10-17(22)23-11-14)26-19(24-12)16-3-2-4-18(27)25-16/h2-12H,1H3,(H,24,26)(H,25,27)/t12-,20-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249833
PNG
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(=O)[nH]1 |r,c:3|
Show InChI InChI=1S/C20H16F2N4O/c1-12-20(13-5-8-15(21)9-6-13,14-7-10-17(22)23-11-14)26-19(24-12)16-3-2-4-18(27)25-16/h2-12H,1H3,(H,24,26)(H,25,27)/t12-,20-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249775
PNG
(2-[(4R,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)18-10-14(11-24)8-9-25-18/h2-10,12-13H,1H3,(H,27,28)/t13-,21+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274200
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2,5-...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50274200
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2,5-...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in HEK293 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249830
PNG
(4-Chloro-2-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(Cl)ccn1 |r,c:3|
Show InChI InChI=1S/C20H15ClF2N4/c1-12-20(13-2-5-16(22)6-3-13,14-4-7-18(23)25-11-14)27-19(26-12)17-10-15(21)8-9-24-17/h2-12H,1H3,(H,26,27)/t12-,20-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249757
PNG
(2-[(5S)-4,4-Bis(4-fluorophenyl)-5-methyl-4,5-dihyd...)
Show SMILES C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cnccn1 |r,c:3|
Show InChI InChI=1S/C20H16F2N4/c1-13-20(14-2-6-16(21)7-3-14,15-4-8-17(22)9-5-15)26-19(25-13)18-12-23-10-11-24-18/h2-13H,1H3,(H,25,26)/t13-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249737
PNG
(2-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol...)
Show SMILES Fc1ccc(cc1)C1(CNC(=N1)c1cc(ccn1)C#N)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C21H14F2N4/c22-17-5-1-15(2-6-17)21(16-3-7-18(23)8-4-16)13-26-20(27-21)19-11-14(12-24)9-10-25-19/h1-11H,13H2,(H,26,27)
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2n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249865
PNG
(2-Fluoro-5-[(4S,5S)-4-(4-fluorophenyl)-5-methyl-2-...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cnsn1 |r,c:3|
Show InChI InChI=1S/C17H13F2N5S/c1-10-17(11-2-5-13(18)6-3-11,12-4-7-15(19)20-8-12)23-16(22-10)14-9-21-25-24-14/h2-10H,1H3,(H,22,23)/t10-,17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249832
PNG
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cnccn1 |r,c:3|
Show InChI InChI=1S/C19H15F2N5/c1-12-19(13-2-5-15(20)6-3-13,14-4-7-17(21)24-10-14)26-18(25-12)16-11-22-8-9-23-16/h2-12H,1H3,(H,25,26)/t12-,19-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50274235
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2-me...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in HEK293 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249869
PNG
(3-oxo-N-(5-phenylpyrazin-2-yl)-3H-spiro[isobenzofu...)
Show SMILES O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C23H20N4O3/c28-21-17-8-4-5-9-18(17)23(30-21)10-12-27(13-11-23)22(29)26-20-15-24-19(14-25-20)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,25,26,29)
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2.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249829
PNG
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES COc1ccnc(c1)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:9|
Show InChI InChI=1S/C21H18F2N4O/c1-13-21(14-3-6-16(22)7-4-14,15-5-8-19(23)25-12-15)27-20(26-13)18-11-17(28-2)9-10-24-18/h3-13H,1-2H3,(H,26,27)/t13-,21-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249803
PNG
(2-Fluoro-5-{(4S,5S)-4-(4-fluorophenyl)-5-methyl-2-...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)S(C)(=O)=O |r,c:3|
Show InChI InChI=1S/C22H19F2N3O2S/c1-14-22(16-6-9-18(23)10-7-16,17-8-11-20(24)25-13-17)27-21(26-14)15-4-3-5-19(12-15)30(2,28)29/h3-14H,1-2H3,(H,26,27)/t14-,22-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249754
PNG
(2-[(5S)-5-Ethyl-4,4-bis(4-fluorophenyl)-4,5-dihydr...)
Show SMILES CC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:4|
Show InChI InChI=1S/C23H18F2N4/c1-2-21-23(16-3-7-18(24)8-4-16,17-5-9-19(25)10-6-17)29-22(28-21)20-13-15(14-26)11-12-27-20/h3-13,21H,2H2,1H3,(H,28,29)/t21-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346211
PNG
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(C)c(=O)[nH]1 |r,c:3|
Show InChI InChI=1S/C21H18F2N4O/c1-12-3-9-17(26-20(12)28)19-25-13(2)21(27-19,14-4-7-16(22)8-5-14)15-6-10-18(23)24-11-15/h3-11,13H,1-2H3,(H,25,27)(H,26,28)/t13-,21-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346229
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES COn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:10|
Show InChI InChI=1S/C21H18F2N4O2/c1-13-21(15-4-7-17(22)8-5-15,16-6-9-18(23)24-11-16)26-20(25-13)14-3-10-19(28)27(12-14)29-2/h3-13H,1-2H3,(H,25,26)/t13-,21-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346228
PNG
(1-(Difluoromethyl)-5-[(4S,5S)-4-(4-fluorophenyl)-4...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)n(c1)C(F)F |r,c:3|
Show InChI InChI=1S/C21H16F4N4O/c1-12-21(14-3-6-16(22)7-4-14,15-5-8-17(23)26-10-15)28-19(27-12)13-2-9-18(30)29(11-13)20(24)25/h2-12,20H,1H3,(H,27,28)/t12-,21-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346225
PNG
(1-Ethyl-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluorop...)
Show SMILES CCn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:10|
Show InChI InChI=1S/C22H20F2N4O/c1-3-28-13-15(4-11-20(28)29)21-26-14(2)22(27-21,16-5-8-18(23)9-6-16)17-7-10-19(24)25-12-17/h4-14H,3H2,1-2H3,(H,26,27)/t14-,22-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249756
PNG
(2-[(5R)-4,4-Bis(4-fluorophenyl)-5-(hydroxymethyl)-...)
Show SMILES OC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:4|
Show InChI InChI=1S/C22H16F2N4O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)20(13-29)27-21(28-22)19-11-14(12-25)9-10-26-19/h1-11,20,29H,13H2,(H,27,28)/t20-/m0/s1
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3n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249776
PNG
(2-[(5S)-4,4-Bis(6-fluoro-3-pyridyl)-5-methyl-4,5-d...)
Show SMILES C[C@@H]1NC(=NC1(c1ccc(F)nc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
Show InChI InChI=1S/C20H14F2N6/c1-12-20(14-2-4-17(21)25-10-14,15-3-5-18(22)26-11-15)28-19(27-12)16-8-13(9-23)6-7-24-16/h2-8,10-12H,1H3,(H,27,28)/t12-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249804
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cncc(c1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(16-2-5-18(22)6-3-16,17-4-7-19(23)26-12-17)28-20(27-13)15-8-14(9-24)10-25-11-15/h2-8,10-13H,1H3,(H,27,28)/t13-,21-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346221
PNG
(3-Chloro-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(Cl)c1 |r,c:3|
Show InChI InChI=1S/C20H15ClF2N4O/c1-11-20(13-2-5-15(22)6-3-13,14-4-7-17(23)24-10-14)27-18(26-11)12-8-16(21)19(28)25-9-12/h2-11H,1H3,(H,25,28)(H,26,27)/t11-,20-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346227
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES CC(C)n1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:11|
Show InChI InChI=1S/C23H22F2N4O/c1-14(2)29-13-16(4-11-21(29)30)22-27-15(3)23(28-22,17-5-8-19(24)9-6-17)18-7-10-20(25)26-12-18/h4-15H,1-3H3,(H,27,28)/t15-,23-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249807
PNG
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccc(n1)C#N |r,c:3|
Show InChI InChI=1S/C20H14F2N6/c1-12-20(13-2-5-15(21)6-3-13,14-4-7-17(22)25-11-14)28-19(26-12)18-24-9-8-16(10-23)27-18/h2-9,11-12H,1H3,(H,26,28)/t12-,20-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274235
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2-me...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346222
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(c1)C(F)(F)F |r,c:3|
Show InChI InChI=1S/C21H15F5N4O/c1-11-20(13-2-5-15(22)6-3-13,14-4-7-17(23)27-10-14)30-18(29-11)12-8-16(21(24,25)26)19(31)28-9-12/h2-11H,1H3,(H,28,31)(H,29,30)/t11-,20-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50274200
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2,5-...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse recombinant histamine H3 receptor


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50274235
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2-me...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse recombinant histamine H3 receptor


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249866
PNG
(2-Fluoro-5-[(4S,5S)-4-(4-fluorophenyl)-5-methyl-2-...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccs1 |r,c:3|
Show InChI InChI=1S/C18H14F2N4S/c1-11-18(12-2-5-14(19)6-3-12,13-4-7-15(20)22-10-13)24-16(23-11)17-21-8-9-25-17/h2-11H,1H3,(H,23,24)/t11-,18-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rhesus monkey histamine H3 receptor expressed in HEK293T cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346217
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(C)c1 |r,c:3|
Show InChI InChI=1S/C21H18F2N4O/c1-12-9-14(10-25-20(12)28)19-26-13(2)21(27-19,15-3-6-17(22)7-4-15)16-5-8-18(23)24-11-16/h3-11,13H,1-2H3,(H,25,28)(H,26,27)/t13-,21-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249738
PNG
(2-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol...)
Show SMILES Fc1ccc(cc1)C1(CNC(=N1)c1cnccn1)c1ccc(F)cc1 |c:11|
Show InChI InChI=1S/C19H14F2N4/c20-15-5-1-13(2-6-15)19(14-3-7-16(21)8-4-14)12-24-18(25-19)17-11-22-9-10-23-17/h1-11H,12H2,(H,24,25)
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4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346226
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES CCCn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:11|
Show InChI InChI=1S/C23H22F2N4O/c1-3-12-29-14-16(4-11-21(29)30)22-27-15(2)23(28-22,17-5-8-19(24)9-6-17)18-7-10-20(25)26-13-18/h4-11,13-15H,3,12H2,1-2H3,(H,27,28)/t15-,23-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346223
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES COc1cc(c[nH]c1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:10|
Show InChI InChI=1S/C21H18F2N4O2/c1-12-21(14-3-6-16(22)7-4-14,15-5-8-18(23)24-11-15)27-19(26-12)13-9-17(29-2)20(28)25-10-13/h3-12H,1-2H3,(H,25,28)(H,26,27)/t12-,21-/m0/s1
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5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249831
PNG
(2-((4S,5S)-4-(4-fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C(N)=O |r,c:3|
Show InChI InChI=1S/C21H17F2N5O/c1-12-21(14-2-5-16(22)6-3-14,15-4-7-18(23)26-11-15)28-20(27-12)17-10-13(19(24)29)8-9-25-17/h2-12H,1H3,(H2,24,29)(H,27,28)/t12-,21-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50249805
PNG
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(n1)C#N |r,c:3|
Show InChI InChI=1S/C21H15F2N5/c1-13-21(14-5-8-16(22)9-6-14,15-7-10-19(23)25-12-15)28-20(26-13)18-4-2-3-17(11-24)27-18/h2-10,12-13H,1H3,(H,26,28)/t13-,21-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells


J Med Chem 52: 3385-96 (2009)


Article DOI: 10.1021/jm900110t
BindingDB Entry DOI: 10.7270/Q2DN450G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50274692
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-fl...)
Show SMILES Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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6n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in HEK293 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346231
PNG
(1-Ethyl-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluorop...)
Show SMILES CCn1cc(cc(C)c1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:11|
Show InChI InChI=1S/C23H22F2N4O/c1-4-29-13-16(11-14(2)22(29)30)21-27-15(3)23(28-21,17-5-8-19(24)9-6-17)18-7-10-20(25)26-12-18/h5-13,15H,4H2,1-3H3,(H,27,28)/t15-,23-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274692
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-fl...)
Show SMILES Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346214
PNG
(3-Fluoro-6-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(F)c(=O)[nH]1 |r,c:3|
Show InChI InChI=1S/C20H15F3N4O/c1-11-20(12-2-5-14(21)6-3-12,13-4-9-17(23)24-10-13)27-18(25-11)16-8-7-15(22)19(28)26-16/h2-11H,1H3,(H,25,27)(H,26,28)/t11-,20-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346230
PNG
(1-Ethoxy-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro...)
Show SMILES CCOn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:11|
Show InChI InChI=1S/C22H20F2N4O2/c1-3-30-28-13-15(4-11-20(28)29)21-26-14(2)22(27-21,16-5-8-18(23)9-6-16)17-7-10-19(24)25-12-17/h4-14H,3H2,1-2H3,(H,26,27)/t14-,22-/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50346233
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)[nH]c1 |r,c:3|
Show InChI InChI=1S/C20H16F2N4O/c1-12-20(14-3-6-16(21)7-4-14,15-5-8-17(22)23-11-15)26-19(25-12)13-2-9-18(27)24-10-13/h2-12H,1H3,(H,24,27)(H,25,26)/t12-,20-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
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