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PubMed code 19200745

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31587
PNG
(oxadiazole derivative, 20x)
Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3
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n/an/a 2.30n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31586
PNG
(oxadiazole derivative, 20w)
Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1
Show InChI InChI=1S/C24H17F3N4O2S/c1-32-19-8-6-18(7-9-19)31-14-28-20-10-5-16(12-21(20)31)22-29-30-23(33-22)34-13-15-3-2-4-17(11-15)24(25,26)27/h2-12,14H,13H2,1H3
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n/an/a 2.5n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31578
PNG
(oxadiazole derivative, 20o)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3ncsc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C18H12F3N3O2S2/c1-25-14-5-2-10(6-12(14)18(19,20)21)8-27-17-24-23-16(26-17)11-3-4-13-15(7-11)28-9-22-13/h2-7,9H,8H2,1H3
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n/an/a 3.10n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31584
PNG
(oxadiazole derivative, 20u)
Show SMILES COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
Show InChI InChI=1S/C25H17N3O3S/c1-29-20-8-5-18(6-9-20)22-14-30-23-10-7-19(12-21(22)23)24-27-28-25(31-24)32-15-17-4-2-3-16(11-17)13-26/h2-12,14H,15H2,1H3
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n/an/a 3.5n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31577
PNG
(oxadiazole derivative, 20n)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3occc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C19H13F3N2O3S/c1-25-16-4-2-11(8-14(16)19(20,21)22)10-28-18-24-23-17(27-18)13-3-5-15-12(9-13)6-7-26-15/h2-9H,10H2,1H3
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n/an/a 4.90n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31572
PNG
(oxadiazole derivative, 20m)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O3S/c1-25-16-4-2-11(8-14(16)19(20,21)22)10-28-18-24-23-17(27-18)13-3-5-15-12(9-13)6-7-26-15/h2-5,8-9H,6-7,10H2,1H3
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n/an/a 5.70n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31580
PNG
(oxadiazole derivative, 20q)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3nccn3c2)cc1C(F)(F)F
Show InChI InChI=1S/C18H13F3N4O2S/c1-26-14-4-2-11(8-13(14)18(19,20)21)10-28-17-24-23-16(27-17)12-3-5-15-22-6-7-25(15)9-12/h2-9H,10H2,1H3
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n/an/a 6.5n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31583
PNG
(oxadiazole derivative, 20t)
Show SMILES COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1
Show InChI InChI=1S/C25H17F3N2O3S/c1-31-19-8-5-16(6-9-19)21-13-32-22-10-7-17(12-20(21)22)23-29-30-24(33-23)34-14-15-3-2-4-18(11-15)25(26,27)28/h2-13H,14H2,1H3
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n/an/a 8.40n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31585
PNG
(oxadiazole derivative, 20v)
Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2ccc(OC)c(c2)C(F)(F)F)o1
Show InChI InChI=1S/C25H19F3N4O3S/c1-33-18-7-5-17(6-8-18)32-14-29-20-9-4-16(12-21(20)32)23-30-31-24(35-23)36-13-15-3-10-22(34-2)19(11-15)25(26,27)28/h3-12,14H,13H2,1-2H3
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n/an/a 8.60n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31588
PNG
(oxadiazole derivative, 20y)
Show SMILES Cn1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1
Show InChI InChI=1S/C18H13F3N4OS/c1-25-10-22-14-6-5-12(8-15(14)25)16-23-24-17(26-16)27-9-11-3-2-4-13(7-11)18(19,20)21/h2-8,10H,9H2,1H3
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n/an/a 9.40n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31570
PNG
(oxadiazole derivative, 20k)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1Cl
Show InChI InChI=1S/C18H15ClN2O3S/c1-22-16-4-2-11(8-14(16)19)10-25-18-21-20-17(24-18)13-3-5-15-12(9-13)6-7-23-15/h2-5,8-9H,6-7,10H2,1H3
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n/an/a 13n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31579
PNG
(oxadiazole derivative, 20p)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3[nH]ncc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C18H13F3N4O2S/c1-26-15-5-2-10(6-13(15)18(19,20)21)9-28-17-25-24-16(27-17)11-3-4-14-12(7-11)8-22-23-14/h2-8H,9H2,1H3,(H,22,23)
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n/an/a 16n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31581
PNG
(oxadiazole derivative, 20r)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3ncccc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O2S/c1-27-17-7-4-12(9-15(17)20(21,22)23)11-29-19-26-25-18(28-19)14-5-6-16-13(10-14)3-2-8-24-16/h2-10H,11H2,1H3
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n/an/a 18n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31582
PNG
(oxadiazole derivative, 20s)
Show SMILES COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2ccc(OC)c(c2)C(F)(F)F)o1
Show InChI InChI=1S/C26H19F3N2O4S/c1-32-18-7-4-16(5-8-18)20-13-34-22-10-6-17(12-19(20)22)24-30-31-25(35-24)36-14-15-3-9-23(33-2)21(11-15)26(27,28)29/h3-13H,14H2,1-2H3
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n/an/a 25n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31571
PNG
(oxadiazole derivative, 20l)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1C#N
Show InChI InChI=1S/C19H15N3O3S/c1-23-16-4-2-12(8-15(16)10-20)11-26-19-22-21-18(25-19)14-3-5-17-13(9-14)6-7-24-17/h2-5,8-9H,6-7,11H2,1H3
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n/an/a 28n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31560
PNG
(oxadiazole derivative, 20j)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1F
Show InChI InChI=1S/C18H15FN2O3S/c1-22-16-4-2-11(8-14(16)19)10-25-18-21-20-17(24-18)13-3-5-15-12(9-13)6-7-23-15/h2-5,8-9H,6-7,10H2,1H3
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n/an/a 44n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31562
PNG
(oxadiazole derivative, 20b)
Show SMILES Fc1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1
Show InChI InChI=1S/C17H13FN2O2S/c18-14-3-1-2-11(8-14)10-23-17-20-19-16(22-17)13-4-5-15-12(9-13)6-7-21-15/h1-5,8-9H,6-7,10H2
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n/an/a 54n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31559
PNG
(oxadiazole derivative, 1)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1F
Show InChI InChI=1S/C17H13FN2O4S/c1-21-13-4-2-10(6-12(13)18)8-25-17-20-19-16(24-17)11-3-5-14-15(7-11)23-9-22-14/h2-7H,8-9H2,1H3
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n/an/a 65n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31568
PNG
(oxadiazole derivative, 20i)
Show SMILES FC(F)(F)c1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1
Show InChI InChI=1S/C18H13F3N2O2S/c19-18(20,21)14-3-1-2-11(8-14)10-26-17-23-22-16(25-17)13-4-5-15-12(9-13)6-7-24-15/h1-5,8-9H,6-7,10H2
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n/an/a 68n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31567
PNG
(oxadiazole derivative, 20g)
Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1
Show InChI InChI=1S/C18H13N3O2S/c19-10-12-2-1-3-13(8-12)11-24-18-21-20-17(23-18)15-4-5-16-14(9-15)6-7-22-16/h1-5,8-9H,6-7,11H2
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n/an/a 91n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31564
PNG
(oxadiazole derivative, 20e)
Show SMILES Clc1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1
Show InChI InChI=1S/C17H13ClN2O2S/c18-14-3-1-2-11(8-14)10-23-17-20-19-16(22-17)13-4-5-15-12(9-13)6-7-21-15/h1-5,8-9H,6-7,10H2
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n/an/a 94n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31565
PNG
(oxadiazole derivative, 20d)
Show SMILES Clc1ccccc1CSc1nnc(o1)-c1ccc2OCCc2c1
Show InChI InChI=1S/C17H13ClN2O2S/c18-14-4-2-1-3-13(14)10-23-17-20-19-16(22-17)12-5-6-15-11(9-12)7-8-21-15/h1-6,9H,7-8,10H2
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n/an/a 200n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31561
PNG
(oxadiazole derivative, 20a)
Show SMILES C(Sc1nnc(o1)-c1ccc2OCCc2c1)c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-2-4-12(5-3-1)11-22-17-19-18-16(21-17)14-6-7-15-13(10-14)8-9-20-15/h1-7,10H,8-9,11H2
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n/an/a 210n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31563
PNG
(oxadiazole derivative, 20c)
Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C18H16N2O3S/c1-21-15-5-2-12(3-6-15)11-24-18-20-19-17(23-18)14-4-7-16-13(10-14)8-9-22-16/h2-7,10H,8-9,11H2,1H3
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n/an/a 220n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31566
PNG
(oxadiazole derivative, 20f)
Show SMILES Clc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C17H13ClN2O2S/c18-14-4-1-11(2-5-14)10-23-17-20-19-16(22-17)13-3-6-15-12(9-13)7-8-21-15/h1-6,9H,7-8,10H2
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n/an/a 280n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31574
PNG
(oxadiazole derivative, 23)
Show SMILES Fc1cccc(CNc2nnc(o2)-c2ccc3OCCc3c2)c1
Show InChI InChI=1S/C17H14FN3O2/c18-14-3-1-2-11(8-14)10-19-17-21-20-16(23-17)13-4-5-15-12(9-13)6-7-22-15/h1-5,8-9H,6-7,10H2,(H,19,21)
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n/an/a 330n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31573
PNG
(oxadiazole derivative, 21)
Show SMILES Fc1cccc(CCc2nnc(o2)-c2ccc3OCCc3c2)c1
Show InChI InChI=1S/C18H15FN2O2/c19-15-3-1-2-12(10-15)4-7-17-20-21-18(23-17)14-5-6-16-13(11-14)8-9-22-16/h1-3,5-6,10-11H,4,7-9H2
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n/an/a 340n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31569
PNG
(oxadiazole derivative, 20h)
Show SMILES COC(=O)c1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1
Show InChI InChI=1S/C19H16N2O4S/c1-23-18(22)15-4-2-3-12(9-15)11-26-19-21-20-17(25-19)14-5-6-16-13(10-14)7-8-24-16/h2-6,9-10H,7-8,11H2,1H3
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n/an/a 630n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31576
PNG
(oxadiazole derivative, 28)
Show SMILES Fc1cccc(SCc2nnc(o2)-c2ccc3OCCc3c2)c1
Show InChI InChI=1S/C17H13FN2O2S/c18-13-2-1-3-14(9-13)23-10-16-19-20-17(22-16)12-4-5-15-11(8-12)6-7-21-15/h1-5,8-9H,6-7,10H2
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n/an/a 680n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM31587
PNG
(oxadiazole derivative, 20x)
Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.



Assay Description
Assays for serine/threonine kinases using radiolabeled [gamma-33P] ATP (GE Healthcare, Piscataway, NJ) were performed in 96 well plates. Prior to the...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM31587
PNG
(oxadiazole derivative, 20x)
Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.



Assay Description
Assays for serine/threonine kinases using radiolabeled [gamma-33P] ATP (GE Healthcare, Piscataway, NJ) were performed in 96 well plates. Prior to the...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))		BDBM31587
PNG
(oxadiazole derivative, 20x)
Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.



Assay Description
Assays for serine/threonine kinases using radiolabeled [gamma-33P] ATP (GE Healthcare, Piscataway, NJ) were performed in 96 well plates. Prior to the...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31575
PNG
(oxadiazole derivative, 26)
Show SMILES Fc1cccc(COc2nnc(o2)-c2ccc3OCCc3c2)c1
Show InChI InChI=1S/C17H13FN2O3/c18-14-3-1-2-11(8-14)10-22-17-20-19-16(23-17)13-4-5-15-12(9-13)6-7-21-15/h1-5,8-9H,6-7,10H2
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n/an/a>1.00E+4n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))		BDBM31587
PNG
(oxadiazole derivative, 20x)
Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/a25



Takeda Pharmaceutical Company Ltd.



Assay Description
Human p35/ cyclin dependent kinase 5 (CDK5) was purchased from Millipore Corp. (Bedford, MA), which was expressed as N-terminal GST fusion protein us...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM31587
PNG
(oxadiazole derivative, 20x)
Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.



Assay Description
Assays for serine/threonine kinases using radiolabeled [gamma-33P] ATP (GE Healthcare, Piscataway, NJ) were performed in 96 well plates. Prior to the...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%