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Compile Data Set for Download or QSAR

Found 375 hits with Last Name = 'urakami' and Initial = 'y'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273137
PNG
((3-{[(3-Carbamimidoyl-phenyl)-({4-[1-(1-imino-ethy...)
Show SMILES CC(=N)N1CCC(CC1)c1ccc(NC(=O)CN(Cc2cccc(OCC(O)=O)c2)c2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C31H36N6O4/c1-21(32)36-14-12-24(13-15-36)23-8-10-26(11-9-23)35-29(38)19-37(27-6-3-5-25(17-27)31(33)34)18-22-4-2-7-28(16-22)41-20-30(39)40/h2-11,16-17,24,32H,12-15,18-20H2,1H3,(H3,33,34)(H,35,38)(H,39,40)
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1.73n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
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
Show InChI InChI=1/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273136
PNG
(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30)
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5n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
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=1/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273299
PNG
(CHEMBL455933 | {4-[2-(5-Carbamimidoyl-2-hydroxy-be...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NCC(O)=O)c1
Show InChI InChI=1S/C24H26N4O7S2/c1-36(32,33)21-5-3-2-4-18(21)16-7-6-15(19(12-16)27-14-23(30)31)10-11-28-37(34,35)22-13-17(24(25)26)8-9-20(22)29/h2-9,12-13,27-29H,10-11,14H2,1H3,(H3,25,26)(H,30,31)
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5.70n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
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
Show InChI InChI=1/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=1/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=1/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=1/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=1/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273297
PNG
(CHEMBL459136 | N-{2-[2-(5-Carbamimidoyl-2-hydroxy-...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NC(=O)C(O)=O)c1
Show InChI InChI=1S/C20H24N4O6S/c1-11(2)13-4-3-12(15(9-13)24-19(26)20(27)28)7-8-23-31(29,30)17-10-14(18(21)22)5-6-16(17)25/h3-6,9-11,23,25H,7-8H2,1-2H3,(H3,21,22)(H,24,26)(H,27,28)
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9.70n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
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=1/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
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=1/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273229
PNG
(CHEMBL455916 | {(5-Carbamimidoyl-2-hydroxy-benzene...)
Show SMILES CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C20H25N3O5S/c1-13(2)15-5-3-14(4-6-15)9-10-23(12-19(25)26)29(27,28)18-11-16(20(21)22)7-8-17(18)24/h3-8,11,13,24H,9-10,12H2,1-2H3,(H3,21,22)(H,25,26)
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14n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
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
Show InChI InChI=1/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=1/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=1/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))
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=1/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))
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=1/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))
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=1/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=1/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=1/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273188
PNG
(3-[2-(4-tert-Butyl-phenyl)-ethylsulfamoyl]-4-hydro...)
Show SMILES CC(C)(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C19H25N3O3S/c1-19(2,3)15-7-4-13(5-8-15)10-11-22-26(24,25)17-12-14(18(20)21)6-9-16(17)23/h4-9,12,22-23H,10-11H2,1-3H3,(H3,20,21)
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27n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
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=1/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273138
PNG
(4-Hydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O3S/c1-12(2)14-5-3-13(4-6-14)9-10-21-25(23,24)17-11-15(18(19)20)7-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
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29n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
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=1/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
Show InChI InChI=1/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
Coagulation factor X


(Homo sapiens (Human))
BDBM17283
PNG
((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/s2
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41n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of factor 10a in human plasma


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273262
PNG
(CHEMBL458067 | {2-[2-(5-Carbamimidoyl-2-hydroxy-be...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C20H25N3O6S/c1-12(2)14-4-3-13(17(9-14)29-11-19(25)26)7-8-23-30(27,28)18-10-15(20(21)22)5-6-16(18)24/h3-6,9-10,12,23-24H,7-8,11H2,1-2H3,(H3,21,22)(H,25,26)
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51n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
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=1/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))
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=1/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273227
PNG
(4-Hydroxy-3-{[2-(4-isopropyl-phenyl)-ethyl]-methyl...)
Show SMILES CC(C)c1ccc(CCN(C)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C19H25N3O3S/c1-13(2)15-6-4-14(5-7-15)10-11-22(3)26(24,25)18-12-16(19(20)21)8-9-17(18)23/h4-9,12-13,23H,10-11H2,1-3H3,(H3,20,21)
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59n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273265
PNG
(CHEMBL457633 | {2-[2-(5-Carbamimidoyl-2-hydroxy-be...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NCC(O)=O)c1
Show InChI InChI=1S/C20H26N4O5S/c1-12(2)14-4-3-13(16(9-14)23-11-19(26)27)7-8-24-30(28,29)18-10-15(20(21)22)5-6-17(18)25/h3-6,9-10,12,23-25H,7-8,11H2,1-2H3,(H3,21,22)(H,26,27)
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62n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
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
Show InChI InChI=1/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=1/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=1/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=1/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=1/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=1/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=1/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=1/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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078987
PNG
(1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(cc3)[N+]([O-])=O)C2=O)c1
Show InChI InChI=1/C28H30N6O5/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(14-12-21)34(38)39/h3-9,11-14,16,18,24H,10,15,17H2,1-2H3,(H2,29,31,36)(H2,30,32,37)
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88n/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))
BDBM50079010
PNG
(1-(2,3-Difluoro-phenyl)-3-{1-[3-(3-isopropyl-ureid...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3cccc(F)c3F)C2=O)c1
Show InChI InChI=1/C28H29F2N5O3/c1-17(2)31-27(37)32-20-9-5-7-18(15-20)16-35-24-12-4-3-8-19(24)13-14-23(26(35)36)34-28(38)33-22-11-6-10-21(29)25(22)30/h3-12,15,17,23H,13-14,16H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
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100n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273187
PNG
(4-Hydroxy-3-[2-(4-isopropoxy-phenyl)-ethylsulfamoy...)
Show SMILES CC(C)Oc1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O4S/c1-12(2)25-15-6-3-13(4-7-15)9-10-21-26(23,24)17-11-14(18(19)20)5-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
PDB
MMDB

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



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50078988
PNG
(1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3cnc4ccccc4c3)C2=O)c1
Show InChI InChI=1/C31H32N6O3/c1-20(2)33-30(39)34-24-11-7-8-21(16-24)19-37-28-13-6-4-9-22(28)14-15-27(29(37)38)36-31(40)35-25-17-23-10-3-5-12-26(23)32-18-25/h3-13,16-18,20,27H,14-15,19H2,1-2H3,(H2,33,34,39)(H2,35,36,40)
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140n/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))
BDBM50078973
PNG
(1-{1-[3-(3-tert-Butyl-ureido)-benzyl]-2-oxo-2,3,4,...)
Show SMILES CC(C)(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
Show InChI InChI=1/C29H33N5O3/c1-29(2,3)33-28(37)31-23-14-9-10-20(18-23)19-34-25-15-8-7-11-21(25)16-17-24(26(34)35)32-27(36)30-22-12-5-4-6-13-22/h4-15,18,24H,16-17,19H2,1-3H3,(H2,30,32,36)(H2,31,33,37)
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140n/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))
BDBM50078956
PNG
(1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nncs3)C2=O)c1
Show InChI InChI=1/C24H27N7O3S/c1-15(2)26-22(33)27-18-8-5-6-16(12-18)13-31-20-9-4-3-7-17(20)10-11-19(21(31)32)28-23(34)29-24-30-25-14-35-24/h3-9,12,14-15,19H,10-11,13H2,1-2H3,(H2,26,27,33)(H2,28,29,30,34)
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150n/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))
BDBM50078960
PNG
(1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nccs3)C2=O)c1
Show InChI InChI=1/C25H28N6O3S/c1-16(2)27-23(33)28-19-8-5-6-17(14-19)15-31-21-9-4-3-7-18(21)10-11-20(22(31)32)29-24(34)30-25-26-12-13-35-25/h3-9,12-14,16,20H,10-11,15H2,1-2H3,(H2,27,28,33)(H2,26,29,30,34)
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160n/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))
BDBM50078984
PNG
(1-(4-Amino-phenyl)-3-{1-[3-(3-isopropyl-ureido)-be...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(N)cc3)C2=O)c1
Show InChI InChI=1/C28H32N6O3/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,10,15,17,29H2,1-2H3,(H2,30,32,36)(H2,31,33,37)
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200n/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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