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Compile Data Set for Download or QSAR

Found 386 hits with Last Name = 'ohashi' and Initial = 't'   
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


(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 |r,t:8|
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


(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 |t:14|
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


(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 |t:15|
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


(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 |t:10|
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


(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 |t:16|
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


(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 |t:8|
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


(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 |t:8|
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


(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 |t:8|
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


(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 |t:8|
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


(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 |t:17|
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


(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 |t:8|
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


(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 |t:18|
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


(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 |t:8|
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


(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 |t:8|
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


(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 |t:18|
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


(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 |t:7,(10.69,7.19,;10.67,5.66,;9.32,4.91,;9.3,3.37,;7.96,4.14,;10.63,2.59,;10.61,1.05,;9.26,.29,;9.26,-1.26,;7.93,-2.03,;6.59,-1.26,;5.25,-2.02,;6.59,.29,;7.93,1.06,;7.93,2.6,;10.59,-2.04,;11.93,-1.27,;13.26,-2.04,;14.6,-1.27,;14.59,.28,;13.26,1.04,;11.93,.27,;11.97,3.34,;13.29,2.56,;11.99,4.87,)|
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


(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 |t:8|
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


(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 |r,t:8|
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


(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 |c:7|
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


(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 |t:19|
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


(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 |c:8|
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


(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 |t:10|
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


(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 |t:19|
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
ATP-binding cassette sub-family C member 3


(Rattus norvegicus)
BDBM50391002
PNG
(CHEMBL2074599)
Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(C)c2s1
Show InChI InChI=1S/C22H25N3O7S/c1-9-12(7-11-5-4-6-24-8-11)13-19(33-22(23-3)25-13)10(2)17(9)31-21-16(28)14(26)15(27)18(32-21)20(29)30/h4-6,8,14-16,18,21,26-28H,7H2,1-3H3,(H,23,25)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Pharm Res 19: 34-41 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RCW
More data for this
Ligand-Target Pair
ABC-type glutathione-S-conjugate transporter


(Homo sapiens (Human))
BDBM50391002
PNG
(CHEMBL2074599)
Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(C)c2s1
Show InChI InChI=1S/C22H25N3O7S/c1-9-12(7-11-5-4-6-24-8-11)13-19(33-22(23-3)25-13)10(2)17(9)31-21-16(28)14(26)15(27)18(32-21)20(29)30/h4-6,8,14-16,18,21,26-28H,7H2,1-3H3,(H,23,25)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1
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5.60E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Pharm Res 19: 34-41 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RCW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 3


(Rattus norvegicus)
BDBM50391003
PNG
(CHEMBL493586)
Show SMILES O[C@@H]1[C@@H](O)[C@H](OCc2cc(=O)oc3cc(O)ccc23)O[C@@H]([C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C16H16O10/c17-7-1-2-8-6(3-10(18)25-9(8)4-7)5-24-16-13(21)11(19)12(20)14(26-16)15(22)23/h1-4,11-14,16-17,19-21H,5H2,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
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7.70E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from Mrp3-expressing Sf9 cells


Pharm Res 19: 34-41 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RCW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 3


(Rattus norvegicus)
BDBM50391004
PNG
(CHEMBL213947)
Show SMILES N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1
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8.38E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from Mrp3-expressing Sf9 cells


Pharm Res 19: 34-41 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RCW
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 3


(Rattus norvegicus)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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9.00E+4n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from Mrp3-expressing Sf9 cells


Pharm Res 19: 34-41 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RCW
More data for this
Ligand-Target Pair
ABC-type glutathione-S-conjugate transporter


(Homo sapiens (Human))
BDBM50391003
PNG
(CHEMBL493586)
Show SMILES O[C@@H]1[C@@H](O)[C@H](OCc2cc(=O)oc3cc(O)ccc23)O[C@@H]([C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C16H16O10/c17-7-1-2-8-6(3-10(18)25-9(8)4-7)5-24-16-13(21)11(19)12(20)14(26-16)15(22)23/h1-4,11-14,16-17,19-21H,5H2,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
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1.05E+5n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Pharm Res 19: 34-41 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RCW
More data for this
Ligand-Target Pair
ABC-type glutathione-S-conjugate transporter


(Homo sapiens (Human))
BDBM50391004
PNG
(CHEMBL213947)
Show SMILES N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1
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3.37E+5n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Pharm Res 19: 34-41 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RCW
More data for this
Ligand-Target Pair
ABC-type glutathione-S-conjugate transporter


(Homo sapiens (Human))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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1.20E+6n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Pharm Res 19: 34-41 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RCW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50258232
PNG
(1-(Methylsulfonyl)-N-(5-phenylpyrimidin-2-yl)-1,2-...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ncc(cn2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(20-9-5-6-10-21(20)29)11-13-28(14-12-24)23(30)27-22-25-15-19(16-26-22)18-7-3-2-4-8-18/h2-10,15-16H,11-14,17H2,1H3,(H,25,26,27,30)
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n/an/a 0.570n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50268532
PNG
(3-oxo-N-(5-phenylpyrimidin-2-yl)-3H-spiro[isobenzo...)
Show SMILES O=C(Nc1ncc(cn1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C23H20N4O3/c28-20-18-8-4-5-9-19(18)23(30-20)10-12-27(13-11-23)22(29)26-21-24-14-17(15-25-21)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,24,25,26,29)
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n/an/a 0.670n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50298636
PNG
(1-(Methylsulfonyl)-N-[4-(phenylcarbonyl)phenyl]-1,...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H27N3O4S/c1-35(33,34)30-19-27(23-9-5-6-10-24(23)30)15-17-29(18-16-27)26(32)28-22-13-11-21(12-14-22)25(31)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,28,32)
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n/an/a 0.680n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50268739
PNG
(CHEMBL524085 | N-(3-(4-chlorophenyl)isoxazol-5-yl)...)
Show SMILES Clc1ccc(cc1)-c1cc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)on1
Show InChI InChI=1S/C22H18ClN3O4/c23-15-7-5-14(6-8-15)18-13-19(30-25-18)24-21(28)26-11-9-22(10-12-26)17-4-2-1-3-16(17)20(27)29-22/h1-8,13H,9-12H2,(H,24,28)
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n/an/a 0.690n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50258191
PNG
(1-(Methylsulfonyl)-N-(6-phenylpyridin-3-yl)-1,2-di...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(nc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(21-9-5-6-10-23(21)29)13-15-28(16-14-25)24(30)27-20-11-12-22(26-17-20)19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H,27,30)
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n/an/a 0.820n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50268737
PNG
(CHEMBL526084 | N-(3-(2-chlorophenyl)isoxazol-5-yl)...)
Show SMILES Clc1ccccc1-c1cc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)on1
Show InChI InChI=1S/C22H18ClN3O4/c23-17-8-4-2-6-15(17)18-13-19(30-25-18)24-21(28)26-11-9-22(10-12-26)16-7-3-1-5-14(16)20(27)29-22/h1-8,13H,9-12H2,(H,24,28)
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n/an/a 0.830n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50268700
PNG
(3-oxo-N-(3-phenylisoxazol-5-yl)-3H-spiro[isobenzof...)
Show SMILES O=C(Nc1cc(no1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C22H19N3O4/c26-20-16-8-4-5-9-17(16)22(28-20)10-12-25(13-11-22)21(27)23-19-14-18(24-29-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,27)
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n/an/a 0.840n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50268651
PNG
(3-oxo-N-(5-(3-(trifluoromethyl)phenyl)pyrimidin-2-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
Show InChI InChI=1S/C24H19F3N4O3/c25-24(26,27)17-5-3-4-15(12-17)16-13-28-21(29-14-16)30-22(33)31-10-8-23(9-11-31)19-7-2-1-6-18(19)20(32)34-23/h1-7,12-14H,8-11H2,(H,28,29,30,33)
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n/an/a 0.850n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50258194
PNG
(1-(Methylsulfonyl)-N-(2-phenylpyrimidin-5-yl)-1,2-...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cnc(nc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(20-9-5-6-10-21(20)29)11-13-28(14-12-24)23(30)27-19-15-25-22(26-16-19)18-7-3-2-4-8-18/h2-10,15-16H,11-14,17H2,1H3,(H,27,30)
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n/an/a 0.860n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50268534
PNG
(CHEMBL521545 | N-(5-(3-chlorophenyl)pyrimidin-2-yl...)
Show SMILES Clc1cccc(c1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
Show InChI InChI=1S/C23H19ClN4O3/c24-17-5-3-4-15(12-17)16-13-25-21(26-14-16)27-22(30)28-10-8-23(9-11-28)19-7-2-1-6-18(19)20(29)31-23/h1-7,12-14H,8-11H2,(H,25,26,27,30)
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n/an/a 0.910n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386696
PNG
(CHEMBL2048911)
Show SMILES Clc1cc(Nc2ncnc3ccn(CCNC(=O)[C@@H]4CCCN4)c23)ccc1Oc1cccc2sncc12 |r|
Show InChI InChI=1S/C26H24ClN7O2S/c27-18-13-16(6-7-22(18)36-21-4-1-5-23-17(21)14-32-37-23)33-25-24-19(30-15-31-25)8-11-34(24)12-10-29-26(35)20-3-2-9-28-20/h1,4-8,11,13-15,20,28H,2-3,9-10,12H2,(H,29,35)(H,30,31,33)/t20-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50258151
PNG
(1-(Methylsulfonyl)-N-(5-phenylpyridin-2-yl)-1,2-di...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cn2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(21-9-5-6-10-22(21)29)13-15-28(16-14-25)24(30)27-23-12-11-20(17-26-23)19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H,26,27,30)
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n/an/a 0.960n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50258193
PNG
(1-(Methylsulfonyl)-N-(5-phenylpyrazin-2-yl)-1,2-di...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cnc(cn2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(19-9-5-6-10-21(19)29)11-13-28(14-12-24)23(30)27-22-16-25-20(15-26-22)18-7-3-2-4-8-18/h2-10,15-16H,11-14,17H2,1H3,(H,26,27,30)
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n/an/a 0.970n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y5 receptor


Bioorg Med Chem 17: 5015-26 (2009)


Article DOI: 10.1016/j.bmc.2009.05.064
BindingDB Entry DOI: 10.7270/Q2KK9BT2
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386693
PNG
(CHEMBL2048912)
Show SMILES CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Show InChI InChI=1S/C25H24ClN7O2S/c1-25(2,27)24(34)28-9-11-33-10-8-18-22(33)23(30-14-29-18)32-15-6-7-20(17(26)12-15)35-19-4-3-5-21-16(19)13-31-36-21/h3-8,10,12-14H,9,11,27H2,1-2H3,(H,28,34)(H,29,30,32)
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n/an/a 0.980n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50268597
PNG
(CHEMBL521537 | N-(5-(2-fluorophenyl)pyrimidin-2-yl...)
Show SMILES Fc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
Show InChI InChI=1S/C23H19FN4O3/c24-19-8-4-2-5-16(19)15-13-25-21(26-14-15)27-22(30)28-11-9-23(10-12-28)18-7-3-1-6-17(18)20(29)31-23/h1-8,13-14H,9-12H2,(H,25,26,27,30)
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n/an/a 0.990n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50268738
PNG
(CHEMBL497621 | N-(3-(3-chlorophenyl)isoxazol-5-yl)...)
Show SMILES Clc1cccc(c1)-c1cc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)on1
Show InChI InChI=1S/C22H18ClN3O4/c23-15-5-3-4-14(12-15)18-13-19(30-25-18)24-21(28)26-10-8-22(9-11-26)17-7-2-1-6-16(17)20(27)29-22/h1-7,12-13H,8-11H2,(H,24,28)
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n/an/a 1n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50268648
PNG
(CHEMBL495630 | N-(5-(3-fluorophenyl)pyrimidin-2-yl...)
Show SMILES Fc1cccc(c1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
Show InChI InChI=1S/C23H19FN4O3/c24-17-5-3-4-15(12-17)16-13-25-21(26-14-16)27-22(30)28-10-8-23(9-11-28)19-7-2-1-6-18(19)20(29)31-23/h1-7,12-14H,8-11H2,(H,25,26,27,30)
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n/an/a 1.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50268594
PNG
(CHEMBL523060 | N-(5-(2-methoxyphenyl)pyrimidin-2-y...)
Show SMILES COc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
Show InChI InChI=1S/C24H22N4O4/c1-31-20-9-5-3-6-17(20)16-14-25-22(26-15-16)27-23(30)28-12-10-24(11-13-28)19-8-4-2-7-18(19)21(29)32-24/h2-9,14-15H,10-13H2,1H3,(H,25,26,27,30)
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n/an/a 1.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50268533
PNG
(CHEMBL496196 | N-(5-(2-chlorophenyl)pyrimidin-2-yl...)
Show SMILES Clc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
Show InChI InChI=1S/C23H19ClN4O3/c24-19-8-4-2-5-16(19)15-13-25-21(26-14-15)27-22(30)28-11-9-23(10-12-28)18-7-3-1-6-17(18)20(29)31-23/h1-8,13-14H,9-12H2,(H,25,26,27,30)
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n/an/a 1.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3511-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.013
BindingDB Entry DOI: 10.7270/Q21C1WS5
More data for this
Ligand-Target Pair
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