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Compile Data Set for Download or QSAR

Found 408 hits with Last Name = 'fujimoto' and Initial = 'm'   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031962
PNG
(3-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C28H25N7O/c1-4-7-24-30-25-16(2)12-17(3)29-28(25)35(24)15-18-10-11-21-22(13-18)26(36)20-9-6-5-8-19(20)14-23(21)27-31-33-34-32-27/h5-6,8-14H,4,7,15H2,1-3H3,(H,31,32,33,34)
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0.290n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031954
PNG
(3-(2-Cyclopropyl-5,7-dimethyl-imidazo[4,5-b]pyridi...)
Show SMILES Cc1cc(C)c2nc(C3CC3)n(Cc3ccc4c(cc5ccccc5c(=O)c4c3)-c3nnn[nH]3)c2n1
Show InChI InChI=1S/C28H23N7O/c1-15-11-16(2)29-28-24(15)30-27(18-8-9-18)35(28)14-17-7-10-21-22(12-17)25(36)20-6-4-3-5-19(20)13-23(21)26-31-33-34-32-26/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,31,32,33,34)
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0.450n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031953
PNG
(3-(2-Ethyl-6-methoxy-[1,5]naphthyridin-4-yloxymeth...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2nc(OC)ccc2n1
Show InChI InChI=1S/C28H22N6O3/c1-3-18-14-24(26-23(29-18)10-11-25(30-26)36-2)37-15-16-8-9-20-21(12-16)27(35)19-7-5-4-6-17(19)13-22(20)28-31-33-34-32-28/h4-14H,3,15H2,1-2H3,(H,31,32,33,34)
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0.480n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031957
PNG
(5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-5H-...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Cc3ccccc3C=C2c2nnn[nH]2)c1 |c:30|
Show InChI InChI=1S/C28H27N7/c1-4-7-25-30-26-17(2)12-18(3)29-28(26)35(25)16-19-10-11-23-22(13-19)14-20-8-5-6-9-21(20)15-24(23)27-31-33-34-32-27/h5-6,8-13,15H,4,7,14,16H2,1-3H3,(H,31,32,33,34)
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0.490n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031960
PNG
(3-(2-Ethyl-quinolin-4-yloxymethyl)-11-(1H-tetrazol...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C28H21N5O2/c1-2-19-15-26(22-9-5-6-10-25(22)29-19)35-16-17-11-12-21-23(13-17)27(34)20-8-4-3-7-18(20)14-24(21)28-30-32-33-31-28/h3-15H,2,16H2,1H3,(H,30,31,32,33)
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0.650n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031961
PNG
(3-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H23N7O/c1-4-23-29-24-15(2)11-16(3)28-27(24)34(23)14-17-9-10-20-21(12-17)25(35)19-8-6-5-7-18(19)13-22(20)26-30-32-33-31-26/h5-13H,4,14H2,1-3H3,(H,30,31,32,33)
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0.660n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031955
PNG
(5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-dib...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1 |c:30|
Show InChI InChI=1S/C27H25N7O/c1-4-7-24-29-25-16(2)12-17(3)28-27(25)34(24)15-18-10-11-20-21(26-30-32-33-31-26)14-19-8-5-6-9-22(19)35-23(20)13-18/h5-6,8-14H,4,7,15H2,1-3H3,(H,30,31,32,33)
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0.700n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031964
PNG
(3-[(5-Ethyl-pyrazolo[1,5-a]pyrimidin-7-ylamino)-me...)
Show SMILES CCc1cc(NCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)n2nccc2n1
Show InChI InChI=1S/C25H20N8O/c1-2-17-13-23(33-22(28-17)9-10-27-33)26-14-15-7-8-19-20(11-15)24(34)18-6-4-3-5-16(18)12-21(19)25-29-31-32-30-25/h3-13,26H,2,14H2,1H3,(H,29,30,31,32)
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1.10n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031956
PNG
(3-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxymeth...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C28H25N5O2/c1-2-19-15-26(22-9-5-6-10-25(22)29-19)35-16-17-11-12-21-23(13-17)27(34)20-8-4-3-7-18(20)14-24(21)28-30-32-33-31-28/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,30,31,32,33)
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1.30n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031959
PNG
(2-Butyl-5-chloro-3-[5-oxo-11-(1H-tetrazol-5-yl)-5H...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21ClN6O3/c1-2-3-8-20-27-23(26)21(25(34)35)32(20)13-14-9-10-17-18(11-14)22(33)16-7-5-4-6-15(16)12-19(17)24-28-30-31-29-24/h4-7,9-12H,2-3,8,13H2,1H3,(H,34,35)(H,28,29,30,31)
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2.10n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031966
PNG
(2-Ethoxy-3-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dibenzo...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H20N6O4/c1-2-37-27-28-22-9-5-8-19(26(35)36)23(22)33(27)14-15-10-11-18-20(12-15)24(34)17-7-4-3-6-16(17)13-21(18)25-29-31-32-30-25/h3-13H,2,14H2,1H3,(H,35,36)(H,29,30,31,32)
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2.70n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031965
PNG
(2-Ethyl-4-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dibenzo[...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2cc(ccc2n1)C(O)=O
Show InChI InChI=1S/C29H21N5O4/c1-2-19-14-26(24-13-18(29(36)37)8-10-25(24)30-19)38-15-16-7-9-21-22(11-16)27(35)20-6-4-3-5-17(20)12-23(21)28-31-33-34-32-28/h3-14H,2,15H2,1H3,(H,36,37)(H,31,32,33,34)
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2.70n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078977
PNG
(1-(3-{3-[N'-(4-Hydroxy-phenyl)-guanidino]-2-oxo-2,...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(N)Nc3ccc(O)cc3)C2=O)c1 |w:23.23|
Show InChI InChI=1S/C28H32N6O3/c1-18(2)30-28(37)32-22-8-5-6-19(16-22)17-34-25-9-4-3-7-20(25)10-15-24(26(34)36)33-27(29)31-21-11-13-23(35)14-12-21/h3-9,11-14,16,18,24,35H,10,15,17H2,1-2H3,(H3,29,31,33)(H2,30,32,37)
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2.90n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031950
PNG
(2,6-Dimethyl-4-{[5-oxo-11-(1H-tetrazol-5-yl)-5H-di...)
Show SMILES CCOC(=O)c1c(C)nc(C)cc1NCc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H24N6O3/c1-4-36-27(35)24-16(3)29-15(2)11-23(24)28-14-17-9-10-20-21(12-17)25(34)19-8-6-5-7-18(19)13-22(20)26-30-32-33-31-26/h5-13H,4,14H2,1-3H3,(H,28,29)(H,30,31,32,33)
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2.90n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031951
PNG
(2-Ethoxy-3-[11-(1H-tetrazol-5-yl)-dibenzo[b,f]oxep...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1 |c:31|
Show InChI InChI=1S/C26H20N6O4/c1-2-35-26-27-20-8-5-7-18(25(33)34)23(20)32(26)14-15-10-11-17-19(24-28-30-31-29-24)13-16-6-3-4-9-21(16)36-22(17)12-15/h3-13H,2,14H2,1H3,(H,33,34)(H,28,29,30,31)
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3.90n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031949
PNG
(3-(2-Methyl-5,6,7,8-tetrahydro-quinolin-4-yloxymet...)
Show SMILES Cc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C27H23N5O2/c1-16-12-25(21-8-4-5-9-24(21)28-16)34-15-17-10-11-20-22(13-17)26(33)19-7-3-2-6-18(19)14-23(20)27-29-31-32-30-27/h2-3,6-7,10-14H,4-5,8-9,15H2,1H3,(H,29,30,31,32)
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4.30n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031963
PNG
(2,6-Dimethyl-4-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dib...)
Show SMILES CCOC(=O)c1c(C)nc(C)cc1OCc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H23N5O4/c1-4-35-27(34)24-16(3)28-15(2)11-23(24)36-14-17-9-10-20-21(12-17)25(33)19-8-6-5-7-18(19)13-22(20)26-29-31-32-30-26/h5-13H,4,14H2,1-3H3,(H,29,30,31,32)
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4.30n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078965
PNG
(1-Benzothiazol-6-yl-3-{1-[3-(3-isopropyl-ureido)-b...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ncsc4c3)C2=O)c1
Show InChI InChI=1S/C29H30N6O3S/c1-18(2)31-28(37)32-21-8-5-6-19(14-21)16-35-25-9-4-3-7-20(25)10-12-24(27(35)36)34-29(38)33-22-11-13-23-26(15-22)39-17-30-23/h3-9,11,13-15,17-18,24H,10,12,16H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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5.10n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50079009
PNG
(1-(3-{3-[N'-(4-Hydroxy-phenyl)-N''-methyl-guanidin...)
Show SMILES CNC(Nc1ccc(O)cc1)=NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O |w:11.12|
Show InChI InChI=1S/C29H34N6O3/c1-19(2)31-29(38)33-23-9-6-7-20(17-23)18-35-26-10-5-4-8-21(26)11-16-25(27(35)37)34-28(30-3)32-22-12-14-24(36)15-13-22/h4-10,12-15,17,19,25,36H,11,16,18H2,1-3H3,(H2,30,32,34)(H2,31,33,38)
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7.30n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078970
PNG
(1-(2-Fluoro-phenyl)-3-{1-[3-(3-isopropyl-ureido)-b...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3F)C2=O)c1
Show InChI InChI=1S/C28H30FN5O3/c1-18(2)30-27(36)31-21-10-7-8-19(16-21)17-34-25-13-6-3-9-20(25)14-15-24(26(34)35)33-28(37)32-23-12-5-4-11-22(23)29/h3-13,16,18,24H,14-15,17H2,1-2H3,(H2,30,31,36)(H2,32,33,37)
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7.60n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50079012
PNG
(1-Benzo[b]thiophen-6-yl-3-{1-[3-(3-isopropyl-ureid...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ccsc4c3)C2=O)c1
Show InChI InChI=1S/C30H31N5O3S/c1-19(2)31-29(37)32-23-8-5-6-20(16-23)18-35-26-9-4-3-7-21(26)11-13-25(28(35)36)34-30(38)33-24-12-10-22-14-15-39-27(22)17-24/h3-10,12,14-17,19,25H,11,13,18H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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7.80n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50079015
PNG
(1-(2,4-Difluoro-phenyl)-3-{1-[3-(3-isopropyl-ureid...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(F)cc3F)C2=O)c1
Show InChI InChI=1S/C28H29F2N5O3/c1-17(2)31-27(37)32-21-8-5-6-18(14-21)16-35-25-9-4-3-7-19(25)10-12-24(26(35)36)34-28(38)33-23-13-11-20(29)15-22(23)30/h3-9,11,13-15,17,24H,10,12,16H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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7.80n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50079016
PNG
(1-Benzofuran-6-yl-3-{1-[3-(3-isopropyl-ureido)-ben...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ccoc4c3)C2=O)c1
Show InChI InChI=1S/C30H31N5O4/c1-19(2)31-29(37)32-23-8-5-6-20(16-23)18-35-26-9-4-3-7-21(26)11-13-25(28(35)36)34-30(38)33-24-12-10-22-14-15-39-27(22)17-24/h3-10,12,14-17,19,25H,11,13,18H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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7.80n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031952
PNG
((S)-3-Methyl-2-{[5-oxo-11-(1H-tetrazol-5-yl)-5H-di...)
Show SMILES CCCCC(=O)N(Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C27H29N5O4/c1-4-5-10-23(33)32(24(16(2)3)27(35)36)15-17-11-12-20-21(13-17)25(34)19-9-7-6-8-18(19)14-22(20)26-28-30-31-29-26/h6-9,11-14,16,24H,4-5,10,15H2,1-3H3,(H,35,36)(H,28,29,30,31)/t24-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031958
PNG
((S)-3-Methyl-2-{pentanoyl-[11-(1H-tetrazol-5-yl)-d...)
Show SMILES CCCCC(=O)N(Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1)[C@@H](C(C)C)C(O)=O |c:21|
Show InChI InChI=1S/C26H29N5O4/c1-4-5-10-23(32)31(24(16(2)3)26(33)34)15-17-11-12-19-20(25-27-29-30-28-25)14-18-8-6-7-9-21(18)35-22(19)13-17/h6-9,11-14,16,24H,4-5,10,15H2,1-3H3,(H,33,34)(H,27,28,29,30)/t24-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078958
PNG
(CHEMBL433216 | {3-[2-Oxo-3-(3-phenyl-ureido)-2,3,4...)
Show SMILES COC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
Show InChI InChI=1S/C26H26N4O4/c1-34-26(33)28-21-12-7-8-18(16-21)17-30-23-13-6-5-9-19(23)14-15-22(24(30)31)29-25(32)27-20-10-3-2-4-11-20/h2-13,16,22H,14-15,17H2,1H3,(H,28,33)(H2,27,29,32)
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>10n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031948
PNG
(2-Butyl-5-chloro-3-[5-oxo-11-(1H-tetrazol-5-yl)-5H...)
Show SMILES CCCCc1nc(Cl)c(C=O)n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21ClN6O2/c1-2-3-8-22-27-24(26)21(14-33)32(22)13-15-9-10-18-19(11-15)23(34)17-7-5-4-6-16(17)12-20(18)25-28-30-31-29-25/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,28,29,30,31)
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12n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078966
PNG
(1-Benzo[b]thiophen-5-yl-3-{1-[3-(3-isopropyl-ureid...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4sccc4c3)C2=O)c1
Show InChI InChI=1S/C30H31N5O3S/c1-19(2)31-29(37)32-23-8-5-6-20(16-23)18-35-26-9-4-3-7-21(26)10-12-25(28(35)36)34-30(38)33-24-11-13-27-22(17-24)14-15-39-27/h3-9,11,13-17,19,25H,10,12,18H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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13n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078974
PNG
(1-Isopropyl-3-{3-[3-(N'-methyl-N''-phenyl-guanidin...)
Show SMILES CNC(Nc1ccccc1)=NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O |w:10.11|
Show InChI InChI=1S/C29H34N6O2/c1-20(2)31-29(37)33-24-14-9-10-21(18-24)19-35-26-15-8-7-11-22(26)16-17-25(27(35)36)34-28(30-3)32-23-12-5-4-6-13-23/h4-15,18,20,25H,16-17,19H2,1-3H3,(H2,30,32,34)(H2,31,33,37)
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15n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078994
PNG
(1-Benzooxazol-5-yl-3-{1-[3-(3-isopropyl-ureido)-be...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ocnc4c3)C2=O)c1
Show InChI InChI=1S/C29H30N6O4/c1-18(2)31-28(37)32-21-8-5-6-19(14-21)16-35-25-9-4-3-7-20(25)10-12-23(27(35)36)34-29(38)33-22-11-13-26-24(15-22)30-17-39-26/h3-9,11,13-15,17-18,23H,10,12,16H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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17n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078971
PNG
(1-Indan-5-yl-3-{1-[3-(3-isopropyl-ureido)-benzyl]-...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4CCCc4c3)C2=O)c1
Show InChI InChI=1S/C31H35N5O3/c1-20(2)32-30(38)33-25-11-5-7-21(17-25)19-36-28-12-4-3-8-23(28)14-16-27(29(36)37)35-31(39)34-26-15-13-22-9-6-10-24(22)18-26/h3-5,7-8,11-13,15,17-18,20,27H,6,9-10,14,16,19H2,1-2H3,(H2,32,33,38)(H2,34,35,39)
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17n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078993
PNG
(1-(1H-Indol-5-yl)-3-{1-[3-(3-isopropyl-ureido)-ben...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4[nH]ccc4c3)C2=O)c1
Show InChI InChI=1S/C30H32N6O3/c1-19(2)32-29(38)33-23-8-5-6-20(16-23)18-36-27-9-4-3-7-21(27)10-12-26(28(36)37)35-30(39)34-24-11-13-25-22(17-24)14-15-31-25/h3-9,11,13-17,19,26,31H,10,12,18H2,1-2H3,(H2,32,33,38)(H2,34,35,39)
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18n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078981
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-{1-[3-(3-i...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4OCCOc4c3)C2=O)c1
Show InChI InChI=1S/C30H33N5O5/c1-19(2)31-29(37)32-22-8-5-6-20(16-22)18-35-25-9-4-3-7-21(25)10-12-24(28(35)36)34-30(38)33-23-11-13-26-27(17-23)40-15-14-39-26/h3-9,11,13,16-17,19,24H,10,12,14-15,18H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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18n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50079017
PNG
(1-Benzothiazol-5-yl-3-{1-[3-(3-isopropyl-ureido)-b...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4scnc4c3)C2=O)c1
Show InChI InChI=1S/C29H30N6O3S/c1-18(2)31-28(37)32-21-8-5-6-19(14-21)16-35-25-9-4-3-7-20(25)10-12-23(27(35)36)34-29(38)33-22-11-13-26-24(15-22)30-17-39-26/h3-9,11,13-15,17-18,23H,10,12,16H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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24n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078995
PNG
(1-(1,3-Dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-{1-[3...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4C(=O)NC(=O)c4c3)C2=O)c1
Show InChI InChI=1S/C30H30N6O5/c1-17(2)31-29(40)32-20-8-5-6-18(14-20)16-36-25-9-4-3-7-19(25)10-13-24(28(36)39)34-30(41)33-21-11-12-22-23(15-21)27(38)35-26(22)37/h3-9,11-12,14-15,17,24H,10,13,16H2,1-2H3,(H2,31,32,40)(H2,33,34,41)(H,35,37,38)
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25n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078959
PNG
(1-(1H-Indazol-5-yl)-3-{1-[3-(3-isopropyl-ureido)-b...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4[nH]ncc4c3)C2=O)c1
Show InChI InChI=1S/C29H31N7O3/c1-18(2)31-28(38)32-22-8-5-6-19(14-22)17-36-26-9-4-3-7-20(26)10-12-25(27(36)37)34-29(39)33-23-11-13-24-21(15-23)16-30-35-24/h3-9,11,13-16,18,25H,10,12,17H2,1-2H3,(H,30,35)(H2,31,32,38)(H2,33,34,39)
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26n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078975
PNG
(1-Benzo[1,3]dioxol-5-yl-3-{1-[3-(3-isopropyl-ureid...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4OCOc4c3)C2=O)c1
Show InChI InChI=1S/C29H31N5O5/c1-18(2)30-28(36)31-21-8-5-6-19(14-21)16-34-24-9-4-3-7-20(24)10-12-23(27(34)35)33-29(37)32-22-11-13-25-26(15-22)39-17-38-25/h3-9,11,13-15,18,23H,10,12,16-17H2,1-2H3,(H2,30,31,36)(H2,32,33,37)
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28n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078985
PNG
(1-(4-Fluoro-phenyl)-3-{1-[3-(3-isopropyl-ureido)-b...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(F)cc3)C2=O)c1
Show InChI InChI=1S/C28H30FN5O3/c1-18(2)30-27(36)32-23-8-5-6-19(16-23)17-34-25-9-4-3-7-20(25)10-15-24(26(34)35)33-28(37)31-22-13-11-21(29)12-14-22/h3-9,11-14,16,18,24H,10,15,17H2,1-2H3,(H2,30,32,36)(H2,31,33,37)
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29n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078957
PNG
(1-(3-{3-[N'-(4-Hydroxy-phenyl)-N''-isopropyl-guani...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(NC(C)C)Nc3ccc(O)cc3)C2=O)c1 |w:23.23|
Show InChI InChI=1S/C31H38N6O3/c1-20(2)32-30(34-24-13-15-26(38)16-14-24)36-27-17-12-23-9-5-6-11-28(23)37(29(27)39)19-22-8-7-10-25(18-22)35-31(40)33-21(3)4/h5-11,13-16,18,20-21,27,38H,12,17,19H2,1-4H3,(H2,32,34,36)(H2,33,35,40)
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36n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078979
PNG
(1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
Show InChI InChI=1S/C28H31N5O3/c1-19(2)29-27(35)31-23-13-8-9-20(17-23)18-33-25-14-7-6-10-21(25)15-16-24(26(33)34)32-28(36)30-22-11-4-3-5-12-22/h3-14,17,19,24H,15-16,18H2,1-2H3,(H2,29,31,35)(H2,30,32,36)
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43n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078972
PNG
(1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-1,2,3,4...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCCC(NC(=O)Nc3ccccc3)C2=O)c1
Show InChI InChI=1S/C29H33N5O3/c1-20(2)30-28(36)32-24-15-8-10-21(18-24)19-34-26-17-7-6-11-22(26)12-9-16-25(27(34)35)33-29(37)31-23-13-4-3-5-14-23/h3-8,10-11,13-15,17-18,20,25H,9,12,16,19H2,1-2H3,(H2,30,32,36)(H2,31,33,37)
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56n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50079013
PNG
(1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ncccc4c3)C2=O)c1
Show InChI InChI=1S/C31H32N6O3/c1-20(2)33-30(39)34-24-10-5-7-21(17-24)19-37-28-11-4-3-8-22(28)12-14-27(29(37)38)36-31(40)35-25-13-15-26-23(18-25)9-6-16-32-26/h3-11,13,15-18,20,27H,12,14,19H2,1-2H3,(H2,33,34,39)(H2,35,36,40)
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56n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078990
PNG
(1-(3-{3-[N'-(2-Hydroxy-ethyl)-N''-(4-hydroxy-pheny...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(NCCO)Nc3ccc(O)cc3)C2=O)c1 |w:23.23|
Show InChI InChI=1S/C30H36N6O4/c1-20(2)32-30(40)34-24-8-5-6-21(18-24)19-36-27-9-4-3-7-22(27)10-15-26(28(36)39)35-29(31-16-17-37)33-23-11-13-25(38)14-12-23/h3-9,11-14,18,20,26,37-38H,10,15-17,19H2,1-2H3,(H2,31,33,35)(H2,32,34,40)
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65n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078967
PNG
(1-(4-Dimethylamino-phenyl)-3-{1-[3-(3-isopropyl-ur...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(cc3)N(C)C)C2=O)c1
Show InChI InChI=1S/C30H36N6O3/c1-20(2)31-29(38)33-24-10-7-8-21(18-24)19-36-27-11-6-5-9-22(27)12-17-26(28(36)37)34-30(39)32-23-13-15-25(16-14-23)35(3)4/h5-11,13-16,18,20,26H,12,17,19H2,1-4H3,(H2,31,33,38)(H2,32,34,39)
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66n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078998
PNG
(1-(4-Chloro-phenyl)-3-{1-[3-(3-isopropyl-ureido)-b...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(Cl)cc3)C2=O)c1
Show InChI InChI=1S/C28H30ClN5O3/c1-18(2)30-27(36)32-23-8-5-6-19(16-23)17-34-25-9-4-3-7-20(25)10-15-24(26(34)35)33-28(37)31-22-13-11-21(29)12-14-22/h3-9,11-14,16,18,24H,10,15,17H2,1-2H3,(H2,30,32,36)(H2,31,33,37)
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71n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078976
PNG
(1-{1-[3-(3-Isobutyl-ureido)-benzyl]-2-oxo-2,3,4,5-...)
Show SMILES CC(C)CNC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
Show InChI InChI=1S/C29H33N5O3/c1-20(2)18-30-28(36)32-24-13-8-9-21(17-24)19-34-26-14-7-6-10-22(26)15-16-25(27(34)35)33-29(37)31-23-11-4-3-5-12-23/h3-14,17,20,25H,15-16,18-19H2,1-2H3,(H2,30,32,36)(H2,31,33,37)
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75n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50079002
PNG
(1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5...)
Show SMILES COc1ccc(NC(=O)NC2CCc3ccccc3N(Cc3cccc(NC(=O)NC(C)C)c3)C2=O)cc1
Show InChI InChI=1S/C29H33N5O4/c1-19(2)30-28(36)32-23-9-6-7-20(17-23)18-34-26-10-5-4-8-21(26)11-16-25(27(34)35)33-29(37)31-22-12-14-24(38-3)15-13-22/h4-10,12-15,17,19,25H,11,16,18H2,1-3H3,(H2,30,32,36)(H2,31,33,37)
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80n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078969
PNG
(1-(4-Hydroxy-phenyl)-3-{1-[3-(3-isopropyl-ureido)-...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(O)cc3)C2=O)c1
Show InChI InChI=1S/C28H31N5O4/c1-18(2)29-27(36)31-22-8-5-6-19(16-22)17-33-25-9-4-3-7-20(25)10-15-24(26(33)35)32-28(37)30-21-11-13-23(34)14-12-21/h3-9,11-14,16,18,24,34H,10,15,17H2,1-2H3,(H2,29,31,36)(H2,30,32,37)
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82n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50079011
PNG
(1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccncc3)C2=O)c1
Show InChI InChI=1S/C27H30N6O3/c1-18(2)29-26(35)31-22-8-5-6-19(16-22)17-33-24-9-4-3-7-20(24)10-11-23(25(33)34)32-27(36)30-21-12-14-28-15-13-21/h3-9,12-16,18,23H,10-11,17H2,1-2H3,(H2,29,31,35)(H2,28,30,32,36)
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83n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078996
PNG
(1-(3,5-Difluoro-phenyl)-3-{1-[3-(3-isopropyl-ureid...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3cc(F)cc(F)c3)C2=O)c1
Show InChI InChI=1S/C28H29F2N5O3/c1-17(2)31-27(37)32-22-8-5-6-18(12-22)16-35-25-9-4-3-7-19(25)10-11-24(26(35)36)34-28(38)33-23-14-20(29)13-21(30)15-23/h3-9,12-15,17,24H,10-11,16H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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86n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...


J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair
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