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Compile Data Set for Download or QSAR

Found 1232 hits with Last Name = 'oshita' and Initial = 'k'   
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))
BDBM50123720
PNG
(2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...)
Show SMILES COc1ccc(cc1OC)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1
Show InChI InChI=1S/C25H23N3O3/c1-30-22-10-9-17(13-23(22)31-2)21-14-24(28-27-21)26-25(29)18-11-16-8-7-15-5-3-4-6-19(15)20(16)12-18/h3-10,13-14,18H,11-12H2,1-2H3,(H2,26,27,28,29)
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2.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123724
PNG
(2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...)
Show SMILES CCc1cc(ccn1)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1
Show InChI InChI=1S/C24H22N4O/c1-2-19-12-17(9-10-25-19)22-14-23(28-27-22)26-24(29)18-11-16-8-7-15-5-3-4-6-20(15)21(16)13-18/h3-10,12,14,18H,2,11,13H2,1H3,(H2,26,27,28,29)
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3.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123724
PNG
(2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...)
Show SMILES CCc1cc(ccn1)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1
Show InChI InChI=1S/C24H22N4O/c1-2-19-12-17(9-10-25-19)22-14-23(28-27-22)26-24(29)18-11-16-8-7-15-5-3-4-6-20(15)21(16)13-18/h3-10,12,14,18H,2,11,13H2,1H3,(H2,26,27,28,29)
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7.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50073047
PNG
(CHEMBL291666 | N-[5-(3,4-Dimethoxy-phenyl)-1H-pyra...)
Show SMILES COc1ccc(cc1OC)-c1cc(NC(=O)Cc2ccc3ccccc3c2)[nH]n1
Show InChI InChI=1S/C23H21N3O3/c1-28-20-10-9-18(13-21(20)29-2)19-14-22(26-25-19)24-23(27)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-11,13-14H,12H2,1-2H3,(H2,24,25,26,27)
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8.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123729
PNG
(2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...)
Show SMILES O=C(Nc1cc(n[nH]1)-c1ccncc1)C1Cc2ccc3ccccc3c2C1
Show InChI InChI=1S/C22H18N4O/c27-22(24-21-13-20(25-26-21)15-7-9-23-10-8-15)17-11-16-6-5-14-3-1-2-4-18(14)19(16)12-17/h1-10,13,17H,11-12H2,(H2,24,25,26,27)
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10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50262553
PNG
((9S)-9-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-...)
Show SMILES CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1
Show InChI InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3/t19-/m0/s1
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14n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261956
PNG
(9'-(6-Hydroxy-8-oxospiro[3.5]non-7-yl)-4',9'-dihyd...)
Show SMILES O=C1CC2(CCC2)CC(=O)C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc12
Show InChI InChI=1S/C25H26O4/c26-16-11-24(7-3-8-24)12-17(27)22(16)21-15-5-1-2-6-19(15)29-20-14-25(9-4-10-25)13-18(28)23(20)21/h1-2,5-6,21-22H,3-4,7-14H2
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14n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50409778
PNG
(CHEMBL2110162)
Show SMILES OC(=O)CCc1cccc(CC(=O)Nc2cc(n[nH]2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H18ClN3O3/c21-16-7-5-15(6-8-16)17-12-18(24-23-17)22-19(25)11-14-3-1-2-13(10-14)4-9-20(26)27/h1-3,5-8,10,12H,4,9,11H2,(H,26,27)(H2,22,23,24,25)
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16n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50262001
PNG
(9'-(7-Hydroxy-9-oxospiro[4.5]dec-8-yl)-4',9'-dihyd...)
Show SMILES O=C1CC2(CCCC2)CC(=O)C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc12
Show InChI InChI=1S/C27H30O4/c28-18-13-26(9-3-4-10-26)14-19(29)24(18)23-17-7-1-2-8-21(17)31-22-16-27(11-5-6-12-27)15-20(30)25(22)23/h1-2,7-8,23-24H,3-6,9-16H2
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17n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261955
PNG
(9-(4,4-Diethyl-2-hydroxy-6-oxocyclohexyl)-3,3-diet...)
Show SMILES CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc23)C(=O)C1
Show InChI InChI=1S/C27H34O4/c1-5-26(6-2)13-18(28)24(19(29)14-26)23-17-11-9-10-12-21(17)31-22-16-27(7-3,8-4)15-20(30)25(22)23/h9-12,23-24H,5-8,13-16H2,1-4H3
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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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50262002
PNG
(9'-(2-Hydroxy-4-oxospiro[5.5]undec-3-yl)-4',9'-dih...)
Show SMILES O=C1CC2(CCCCC2)CC(=O)C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc12
Show InChI InChI=1S/C29H34O4/c30-20-15-28(11-5-1-6-12-28)16-21(31)26(20)25-19-9-3-4-10-23(19)33-24-18-29(13-7-2-8-14-29)17-22(32)27(24)25/h3-4,9-10,25-26H,1-2,5-8,11-18H2
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24n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123724
PNG
(2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxyl...)
Show SMILES CCc1cc(ccn1)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1
Show InChI InChI=1S/C24H22N4O/c1-2-19-12-17(9-10-25-19)22-14-23(28-27-22)26-24(29)18-11-16-8-7-15-5-3-4-6-20(15)21(16)13-18/h3-10,12,14,18H,2,11,13H2,1H3,(H2,26,27,28,29)
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25n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261897
PNG
(6-Fluoro-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc23)C(=O)C1
Show InChI InChI=1S/C23H25FO4/c1-22(2)8-14(25)20(15(26)9-22)19-13-6-5-12(24)7-17(13)28-18-11-23(3,4)10-16(27)21(18)19/h5-7,19-20H,8-11H2,1-4H3
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29n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM86733
PNG
(5,5-DIMETHYL-2-(2,3,4,9-TETRAHYDRO-3,3-DIMETHYL-1O...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1
Show InChI InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3
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33n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123735
PNG
(CHEMBL160443 | Indan-2-carboxylic acid [5-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
Show InChI InChI=1S/C21H21N3O3/c1-26-18-8-7-15(11-19(18)27-2)17-12-20(24-23-17)22-21(25)16-9-13-5-3-4-6-14(13)10-16/h3-8,11-12,16H,9-10H2,1-2H3,(H2,22,23,24,25)
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33n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261898
PNG
(5-Fluoro-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc23)C(=O)C1
Show InChI InChI=1S/C23H25FO4/c1-22(2)8-14(25)19(15(26)9-22)18-12-6-5-7-13(24)21(12)28-17-11-23(3,4)10-16(27)20(17)18/h5-7,18-19H,8-11H2,1-4H3
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34n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261724
PNG
(6-Chloro-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc23)C(=O)C1
Show InChI InChI=1S/C23H25ClO4/c1-22(2)8-14(25)20(15(26)9-22)19-13-6-5-12(24)7-17(13)28-18-11-23(3,4)10-16(27)21(18)19/h5-7,19-20H,8-11H2,1-4H3
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34n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261899
PNG
(9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohexyl)-3,3,6-t...)
Show SMILES Cc1ccc2C(C3C(=O)CC(C)(C)CC3=O)C3=C(CC(C)(C)CC3=O)Oc2c1
Show InChI InChI=1S/C24H28O4/c1-13-6-7-14-18(8-13)28-19-12-24(4,5)11-17(27)22(19)20(14)21-15(25)9-23(2,3)10-16(21)26/h6-8,20-21H,9-12H2,1-5H3
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36n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261952
PNG
(6-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc23)C(=O)C1
Show InChI InChI=1S/C23H25BrO4/c1-22(2)8-14(25)20(15(26)9-22)19-13-6-5-12(24)7-17(13)28-18-11-23(3,4)10-16(27)21(18)19/h5-7,19-20H,8-11H2,1-4H3
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36n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261900
PNG
(6-Ethyl-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)...)
Show SMILES CCc1ccc2C(C3C(=O)CC(C)(C)CC3=O)C3=C(CC(C)(C)CC3=O)Oc2c1
Show InChI InChI=1S/C25H30O4/c1-6-14-7-8-15-19(9-14)29-20-13-25(4,5)12-18(28)23(20)21(15)22-16(26)10-24(2,3)11-17(22)27/h7-9,21-22H,6,10-13H2,1-5H3
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41n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123717
PNG
(CHEMBL435036 | Indan-2-carboxylic acid [5-(4-chlor...)
Show SMILES Clc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
Show InChI InChI=1S/C19H16ClN3O/c20-16-7-5-12(6-8-16)17-11-18(23-22-17)21-19(24)15-9-13-3-1-2-4-14(13)10-15/h1-8,11,15H,9-10H2,(H2,21,22,23,24)
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59n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123726
PNG
(CHEMBL159070 | Indan-2-carboxylic acid [5-(4-metho...)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
Show InChI InChI=1S/C20H19N3O2/c1-25-17-8-6-13(7-9-17)18-12-19(23-22-18)21-20(24)16-10-14-4-2-3-5-15(14)11-16/h2-9,12,16H,10-11H2,1H3,(H2,21,22,23,24)
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62n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261725
PNG
(5-Chloro-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cccc23)C(=O)C1
Show InChI InChI=1S/C23H25ClO4/c1-22(2)8-14(25)19(15(26)9-22)18-12-6-5-7-13(24)21(12)28-17-11-23(3,4)10-16(27)20(17)18/h5-7,18-19H,8-11H2,1-4H3
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71n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123727
PNG
(CHEMBL158759 | Indan-2-carboxylic acid (5-p-tolyl-...)
Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
Show InChI InChI=1S/C20H19N3O/c1-13-6-8-14(9-7-13)18-12-19(23-22-18)21-20(24)17-10-15-4-2-3-5-16(15)11-17/h2-9,12,17H,10-11H2,1H3,(H2,21,22,23,24)
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80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261787
PNG
(7-Fluoro-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(F)cc23)C(=O)C1
Show InChI InChI=1S/C23H25FO4/c1-22(2)8-14(25)20(15(26)9-22)19-13-7-12(24)5-6-17(13)28-18-11-23(3,4)10-16(27)21(18)19/h5-7,19-20H,8-11H2,1-4H3
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81n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123728
PNG
(CHEMBL160722 | Indan-2-carboxylic acid [5-(4-isopr...)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
Show InChI InChI=1S/C22H23N3O2/c1-14(2)27-19-9-7-15(8-10-19)20-13-21(25-24-20)23-22(26)18-11-16-5-3-4-6-17(16)12-18/h3-10,13-14,18H,11-12H2,1-2H3,(H2,23,24,25,26)
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92n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261721
PNG
(9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohexyl)-6-metho...)
Show SMILES COc1ccc2C(C3C(=O)CC(C)(C)CC3=O)C3=C(CC(C)(C)CC3=O)Oc2c1
Show InChI InChI=1S/C24H28O5/c1-23(2)9-15(25)21(16(26)10-23)20-14-7-6-13(28-5)8-18(14)29-19-12-24(3,4)11-17(27)22(19)20/h6-8,20-21H,9-12H2,1-5H3
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93n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123734
PNG
(CHEMBL158940 | Indan-2-carboxylic acid [5-(3-chlor...)
Show SMILES Clc1cccc(c1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
Show InChI InChI=1S/C19H16ClN3O/c20-16-7-3-6-14(10-16)17-11-18(23-22-17)21-19(24)15-8-12-4-1-2-5-13(12)9-15/h1-7,10-11,15H,8-9H2,(H2,21,22,23,24)
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120n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344644
PNG
(8-(2-(diethylamino)ethoxy)-3-ethoxy-6,6-dimethylbe...)
Show SMILES CCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O
Show InChI InChI=1S/C26H31NO4/c1-6-27(7-2)13-14-30-17-9-11-19-21(15-17)26(4,5)25-23(24(19)28)20-12-10-18(29-8-3)16-22(20)31-25/h9-12,15-16H,6-8,13-14H2,1-5H3
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170n/an/an/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of ALK phosphorylation by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261954
PNG
(9-(2-Hydroxy-4-methyl-6-oxocyclohexyl)-3-methyl-2,...)
Show SMILES CC1CC(=O)C(C2C3=C(CC(C)CC3=O)Oc3ccccc23)C(=O)C1
Show InChI InChI=1S/C21H22O4/c1-11-7-14(22)20(15(23)8-11)19-13-5-3-4-6-17(13)25-18-10-12(2)9-16(24)21(18)19/h3-6,11-12,19-20H,7-10H2,1-2H3
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193n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261723
PNG
(7-Chloro-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl...)
Show SMILES CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc23)C(=O)C1
Show InChI InChI=1S/C23H25ClO4/c1-22(2)8-14(25)20(15(26)9-22)19-13-7-12(24)5-6-17(13)28-18-11-23(3,4)10-16(27)21(18)19/h5-7,19-20H,8-11H2,1-4H3
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197n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123732
PNG
(CHEMBL161398 | Indan-2-carboxylic acid (5-phenyl-1...)
Show SMILES O=C(Nc1cc(n[nH]1)-c1ccccc1)C1Cc2ccccc2C1
Show InChI InChI=1S/C19H17N3O/c23-19(16-10-14-8-4-5-9-15(14)11-16)20-18-12-17(21-22-18)13-6-2-1-3-7-13/h1-9,12,16H,10-11H2,(H2,20,21,22,23)
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260n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50262552
PNG
((9R)-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-eny...)
Show SMILES CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1
Show InChI InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3/t19-/m1/s1
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343n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50123730
PNG
(CHEMBL157588 | Indan-2-carboxylic acid [5-(2-chlor...)
Show SMILES Clc1ccccc1-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
Show InChI InChI=1S/C19H16ClN3O/c20-16-8-4-3-7-15(16)17-11-18(23-22-17)21-19(24)14-9-12-5-1-2-6-13(12)10-14/h1-8,11,14H,9-10H2,(H2,21,22,23,24)
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450n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells


J Med Chem 46: 666-9 (2003)


Article DOI: 10.1021/jm025513q
BindingDB Entry DOI: 10.7270/Q2028QWP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50262555
PNG
(9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohexyl)-7-metho...)
Show SMILES COc1ccc2OC3=C(C(C4C(=O)CC(C)(C)CC4=O)c2c1)C(=O)CC(C)(C)C3
Show InChI InChI=1S/C24H28O5/c1-23(2)9-15(25)21(16(26)10-23)20-14-8-13(28-5)6-7-18(14)29-19-12-24(3,4)11-17(27)22(19)20/h6-8,20-21H,9-12H2,1-5H3
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590n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261901
PNG
(6-Ethoxy-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl...)
Show SMILES CCOc1ccc2C(C3C(=O)CC(C)(C)CC3=O)C3=C(CC(C)(C)CC3=O)Oc2c1
Show InChI InChI=1S/C25H30O5/c1-6-29-14-7-8-15-19(9-14)30-20-13-25(4,5)12-18(28)23(20)21(15)22-16(26)10-24(2,3)11-17(22)27/h7-9,21-22H,6,10-13H2,1-5H3
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833n/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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50262554
PNG
(9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohexyl)-8-metho...)
Show SMILES COc1cccc2OC3=C(C(C4C(=O)CC(C)(C)CC4=O)c12)C(=O)CC(C)(C)C3
Show InChI InChI=1S/C24H28O5/c1-23(2)9-13(25)19(14(26)10-23)22-20-15(27)11-24(3,4)12-18(20)29-17-8-6-7-16(28-5)21(17)22/h6-8,19,22H,9-12H2,1-5H3
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>1.00E+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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261953
PNG
(9-(2-Hydroxy-6-oxocyclohexyl)-2,3,4,9-tetrahydro-1...)
Show SMILES O=C1CCCC(=O)C1C1C2=C(CCCC2=O)Oc2ccccc12
Show InChI InChI=1S/C19H18O4/c20-12-6-3-7-13(21)18(12)17-11-5-1-2-9-15(11)23-16-10-4-8-14(22)19(16)17/h1-2,5,9,17-18H,3-4,6-8,10H2
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>1.00E+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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50261722
PNG
(9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohexyl)-5-metho...)
Show SMILES COc1cccc2C(C3C(=O)CC(C)(C)CC3=O)C3=C(CC(C)(C)CC3=O)Oc12
Show InChI InChI=1S/C24H28O5/c1-23(2)9-14(25)20(15(26)10-23)19-13-7-6-8-17(28-5)22(13)29-18-12-24(3,4)11-16(27)21(18)19/h6-8,19-20H,9-12H2,1-5H3
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2.17E+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 thymidine kinase deficient human LM cells


J Med Chem 51: 4765-70 (2008)


Article DOI: 10.1021/jm8003587
BindingDB Entry DOI: 10.7270/Q2J96664
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178978
PNG
(US9126931, 277)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCC(N)CC1)C#N
Show InChI InChI=1S/C24H23BrN4O/c1-24(2)17-11-20(29-7-5-14(27)6-8-29)18(25)10-16(17)22(30)21-15-4-3-13(12-26)9-19(15)28-23(21)24/h3-4,9-11,14,28H,5-8,27H2,1-2H3
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n/an/a 0.168n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50258001
PNG
(CHEMBL492370 | N-(3,4-dichlorophenyl)-1-(methylsul...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C20H21Cl2N3O3S/c1-29(27,28)25-13-20(15-4-2-3-5-18(15)25)8-10-24(11-9-20)19(26)23-14-6-7-16(21)17(22)12-14/h2-7,12H,8-11,13H2,1H3,(H,23,26)
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Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1564-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.035
BindingDB Entry DOI: 10.7270/Q2TQ61FT
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179073
PNG
(US9126931, 823)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCC(O)CC1
Show InChI InChI=1S/C31H36N4O2/c1-4-20-16-24-25(17-27(20)35-11-7-21(8-12-35)34-13-9-22(36)10-14-34)31(2,3)30-28(29(24)37)23-6-5-19(18-32)15-26(23)33-30/h5-6,15-17,21-22,33,36H,4,7-14H2,1-3H3
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n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179072
PNG
(US9126931, 822)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCC1
Show InChI InChI=1S/C29H32N4O/c1-4-19-15-22-23(16-25(19)33-12-8-20(9-13-33)32-10-5-11-32)29(2,3)28-26(27(22)34)21-7-6-18(17-30)14-24(21)31-28/h6-7,14-16,20,31H,4-5,8-13H2,1-3H3
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n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179071
PNG
(US9126931, 796)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C1CCC1)c1cc2c(cc1Br)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
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n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179026
PNG
(US9126931, 543)
Show SMILES CC(C)(C)N1CCN(CC1)c1cc2c(cc1Br)C(=O)c1c([nH]c3cc(ccc13)C#N)C21CCOCC1
Show InChI InChI=1S/C29H31BrN4O2/c1-28(2,3)34-10-8-33(9-11-34)24-16-21-20(15-22(24)30)26(35)25-19-5-4-18(17-31)14-23(19)32-27(25)29(21)6-12-36-13-7-29/h4-5,14-16,32H,6-13H2,1-3H3
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n/an/a 0.320n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178992
PNG
(US9126931, 338)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1CCC1)C#N
Show InChI InChI=1S/C29H28N4O/c1-4-19-15-22-23(16-25(19)33-12-10-32(11-13-33)20-6-5-7-20)29(2,3)28-26(27(22)34)21-9-8-18(17-30)14-24(21)31-28/h1,8-9,14-16,20,31H,5-7,10-13H2,2-3H3
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n/an/a 0.320n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179002
PNG
(US9126931, 403)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Cl)c(cc12)N1CCC(CC1)N1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN4O2/c1-28(2)21-15-24(33-7-5-18(6-8-33)32-9-11-35-12-10-32)22(29)14-20(21)26(34)25-19-4-3-17(16-30)13-23(19)31-27(25)28/h3-4,13-15,18,31H,5-12H2,1-2H3
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n/an/a 0.391n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179069
PNG
(US9126931, 786)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C(=O)CN(C)C
Show InChI InChI=1S/C29H33N5O2/c1-6-19-14-21-22(15-24(19)33-9-11-34(12-10-33)25(35)17-32(4)5)29(2,3)28-26(27(21)36)20-8-7-18(16-30)13-23(20)31-28/h7-8,13-15,31H,6,9-12,17H2,1-5H3
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n/an/a 0.400n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178997
PNG
(US9126931, 359)
Show SMILES CC(C)OCC#Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C32H34N4O3/c1-20(2)39-13-5-6-22-15-25-26(16-28(22)36-11-9-35(10-12-36)23-18-38-19-23)32(3,4)31-29(30(25)37)24-8-7-21(17-33)14-27(24)34-31/h7-8,14-16,20,23,34H,9-13,18-19H2,1-4H3
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n/an/a 0.400n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179033
PNG
(US9126931, 601)
Show SMILES CC1(C)c2[nH]c3cc(Cl)ccc3c2C(=O)c2cc(-c3nn[nH]n3)c(O)cc12
Show InChI InChI=1S/C19H14ClN5O2/c1-19(2)12-7-14(26)11(18-22-24-25-23-18)6-10(12)16(27)15-9-4-3-8(20)5-13(9)21-17(15)19/h3-7,21,26H,1-2H3,(H,22,23,24,25)
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n/an/a 0.456n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)


BindingDB Entry DOI: 10.7270/Q22J69N8
More data for this
Ligand-Target Pair
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