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Compile Data Set for Download or QSAR

Found 1044 hits with Last Name = 'tanaka' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 5 ( NPY Y5)


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



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human NPYY5 receptor


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


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



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


(Homo sapiens (Human))
BDBM50346232
PNG
(1-(Difluoromethyl)-5-[(4S,5S)-4-(4-fluorophenyl)-4...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(C)c(=O)n(c1)C(F)F |r,c:3|
Show InChI InChI=1S/C22H18F4N4O/c1-12-9-14(11-30(20(12)31)21(25)26)19-28-13(2)22(29-19,15-3-6-17(23)7-4-15)16-5-8-18(24)27-10-16/h3-11,13,21H,1-2H3,(H,28,29)/t13-,22-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


(Homo sapiens (Human))
BDBM50346212
PNG
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(C)cc(=O)[nH]1 |r,c:3|
Show InChI InChI=1S/C21H18F2N4O/c1-12-9-17(26-19(28)10-12)20-25-13(2)21(27-20,14-3-6-16(22)7-4-14)15-5-8-18(23)24-11-15/h3-11,13H,1-2H3,(H,25,27)(H,26,28)/t13-,21-/m0/s1
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8.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


(Homo sapiens (Human))
BDBM50346215
PNG
(3-Chloro-6-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(Cl)c(=O)[nH]1 |r,c:3|
Show InChI InChI=1S/C20H15ClF2N4O/c1-11-20(12-2-5-14(22)6-3-12,13-4-9-17(23)24-10-13)27-18(25-11)16-8-7-15(21)19(28)26-16/h2-11H,1H3,(H,25,27)(H,26,28)/t11-,20-/m0/s1
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8.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


(Homo sapiens (Human))
BDBM50346220
PNG
(3-Fluoro-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(F)c1 |r,c:3|
Show InChI InChI=1S/C20H15F3N4O/c1-11-20(13-2-5-15(21)6-3-13,14-4-7-17(23)24-10-14)27-18(26-11)12-8-16(22)19(28)25-9-12/h2-11H,1H3,(H,25,28)(H,26,27)/t11-,20-/m0/s1
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11n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


(Homo sapiens (Human))
BDBM50346224
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)n(C)c1 |r,c:3|
Show InChI InChI=1S/C21H18F2N4O/c1-13-21(15-4-7-17(22)8-5-15,16-6-9-18(23)24-11-16)26-20(25-13)14-3-10-19(28)27(2)12-14/h3-13H,1-2H3,(H,25,26)/t13-,21-/m0/s1
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13n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


(Homo sapiens (Human))
BDBM50346213
PNG
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1[nH]c(=O)ccc1C |r,c:3|
Show InChI InChI=1S/C21H18F2N4O/c1-12-3-10-18(28)26-19(12)20-25-13(2)21(27-20,14-4-7-16(22)8-5-14)15-6-9-17(23)24-11-15/h3-11,13H,1-2H3,(H,25,27)(H,26,28)/t13-,21-/m0/s1
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28n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


(Homo sapiens (Human))
BDBM50346210
PNG
(4-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc[nH]c(=O)c1 |r,c:3|
Show InChI InChI=1S/C20H16F2N4O/c1-12-20(14-2-5-16(21)6-3-14,15-4-7-17(22)24-11-15)26-19(25-12)13-8-9-23-18(27)10-13/h2-12H,1H3,(H,23,27)(H,25,26)/t12-,20-/m0/s1
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42n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
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))
BDBM50346216
PNG
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(=O)n1C |r,c:3|
Show InChI InChI=1S/C21H18F2N4O/c1-13-21(14-6-9-16(22)10-7-14,15-8-11-18(23)24-12-15)26-20(25-13)17-4-3-5-19(28)27(17)2/h3-13H,1-2H3,(H,25,26)/t13-,21-/m0/s1
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350n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


(Homo sapiens (Human))
BDBM50346234
PNG
(3-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc[nH]c1=O |r,c:3|
Show InChI InChI=1S/C20H16F2N4O/c1-12-20(13-4-7-15(21)8-5-13,14-6-9-17(22)24-11-14)26-18(25-12)16-3-2-10-23-19(16)27/h2-12H,1H3,(H,23,27)(H,25,26)/t12-,20-/m0/s1
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600n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


(Homo sapiens (Human))
BDBM50346218
PNG
(5-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoropyridin-3...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)cc1C |r,c:3|
Show InChI InChI=1S/C21H18F2N4O/c1-12-9-19(28)25-11-17(12)20-26-13(2)21(27-20,14-3-6-16(22)7-4-14)15-5-8-18(23)24-10-15/h3-11,13H,1-2H3,(H,25,28)(H,26,27)/t13-,21-/m0/s1
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630n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem 17: 6106-22 (2009)


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


(Homo sapiens (Human))
BDBM50346219
PNG
(6-Fluoro-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro...)
Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)[nH]c1F |r,c:3|
Show InChI InChI=1S/C20H15F3N4O/c1-11-20(12-2-5-14(21)6-3-12,13-4-8-16(22)24-10-13)27-19(25-11)15-7-9-17(28)26-18(15)23/h2-11H,1H3,(H,25,27)(H,26,28)/t11-,20-/m0/s1
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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]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells


Bioorg Med Chem 17: 6106-22 (2009)


Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269429
PNG
(CHEMBL4084855)
PDB
MMDB

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n/an/a 0.100n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269437
PNG
(CHEMBL4077376)
PDB
MMDB

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n/an/a 0.200n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269428
PNG
(CHEMBL4063206)
PDB
MMDB

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n/an/a 0.200n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269447
PNG
(CHEMBL4076186)
PDB
MMDB

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n/an/a 0.25n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269438
PNG
(CHEMBL4076060)
PDB
MMDB

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n/an/a 0.400n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269455
PNG
(CHEMBL4087402)
PDB
MMDB

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n/an/a 0.400n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269443
PNG
(CHEMBL4095848)
PDB
MMDB

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n/an/a 0.5n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269447
PNG
(CHEMBL4076186)
PDB
MMDB

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n/an/a 0.720n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269440
PNG
(CHEMBL4065818)
PDB
MMDB

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n/an/a 0.800n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269455
PNG
(CHEMBL4087402)
PDB
MMDB

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n/an/a 0.900n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM244381
PNG
(US9550763, Compound I-133)
Show SMILES Fc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)nc1
PDB

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n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9550763 (2017)


BindingDB Entry DOI: 10.7270/Q2V126TQ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM244280
PNG
(US9550763, Compound I-028)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(O)=O)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
PDB

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n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9550763 (2017)


BindingDB Entry DOI: 10.7270/Q2V126TQ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM244285
PNG
(US9550763, Compound I-033)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(O)=O)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
PDB

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n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9550763 (2017)


BindingDB Entry DOI: 10.7270/Q2V126TQ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM244385
PNG
(US9550763, Compound I-137)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)nn1
PDB

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n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9550763 (2017)


BindingDB Entry DOI: 10.7270/Q2V126TQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269492
PNG
(CHEMBL4067532)
PDB
MMDB

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n/an/a 1.10n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269452
PNG
(CHEMBL4105346)
PDB
MMDB

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n/an/a 1.20n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269439
PNG
(CHEMBL4077048)
PDB
MMDB

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n/an/a 1.20n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269426
PNG
(CHEMBL3719193)
PDB
MMDB

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n/an/a 1.40n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3733-3738 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.077
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296002
PNG
(CHEMBL564536 | isopropyl 3-chloro-5-(1-(6-(2-(5-et...)
Show SMILES CCc1sc(CCc2cc(cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
Show InChI InChI=1S/C29H38ClN5O3S/c1-6-26-20(5)32-28(39-26)8-7-23-16-25(35-9-11-37-12-10-35)17-27(33-23)31-19(4)21-13-22(30)15-24(14-21)34-29(36)38-18(2)3/h13-19H,6-12H2,1-5H3,(H,31,33)(H,34,36)
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPY Y1 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding by scinitill...


Bioorg Med Chem Lett 19: 4325-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.069
BindingDB Entry DOI: 10.7270/Q21G0M97
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay


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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269494
PNG
(CHEMBL4104714)
PDB
MMDB

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n/an/a 1.70n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269485
PNG
(CHEMBL4071429)
PDB
MMDB

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n/an/a 1.70n/an/an/an/an/an/a



Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3726-3732 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.078
More data for this
Ligand-Target Pair
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