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Compile Data Set for Download or QSAR

Found 3625 hits of ic50 for UniProtKB: P49841   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50491919
PNG
(CHEMBL2386094)
Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H23FN4O5/c29-17-11-16-13-33(28(36)31-7-9-37-10-8-31)6-5-32-14-20(19(12-17)25(16)32)23-24(27(35)30-26(23)34)21-15-38-22-4-2-1-3-18(21)22/h1-4,11-12,14-15H,5-10,13H2,(H,30,34,35)
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n/an/a 0.0130n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation


J Med Chem 56: 5115-29 (2013)


Article DOI: 10.1021/jm400511s
BindingDB Entry DOI: 10.7270/Q21R6TFJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269429
PNG
(CHEMBL4084855)
Show SMILES COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-4-6-17(29-3)7-5-16)10-11-27(15)21-24-19(12-20(28)25(21)2)18-8-9-22-14-23-18/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


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


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM251572
PNG
(US9452998, Table 4 Compound 2)
Show SMILES NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1F
Show InChI InChI=1S/C21H22FN7O/c22-15-4-2-1-3-14(15)16-12-26-20(24)19(27-16)21(30)28-17-11-25-8-5-18(17)29-9-6-13(23)7-10-29/h1-5,8,11-13H,6-7,9-10,23H2,(H2,24,26)(H,28,30)
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n/an/a 0.100n/an/an/an/a7.025



Novartis AG

US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


US Patent US9452998 (2016)


BindingDB Entry DOI: 10.7270/Q2C82870
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50489132
PNG
(CHEMBL2297166)
Show SMILES Cc1ccc(cc1)-c1c[nH]c(n1)C1COCCN1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O/c1-16-6-8-17(9-7-16)21-13-25-23(26-21)22-15-28-11-10-27(22)14-18-12-24-20-5-3-2-4-19(18)20/h2-9,12-13,22,24H,10-11,14-15H2,1H3,(H,25,26)
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n/an/a 0.120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3beta (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-013-0547-y
BindingDB Entry DOI: 10.7270/Q2ZK5KKQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293306
PNG
(3-(5-methoxybenzofuran-7-yl)-4-(1-(2-(4-methylpipe...)
Show SMILES COc1cc(C2=C(C(=O)NC2=O)c2cn(CCN3CCN(C)CC3)c3ccccc23)c2occc2c1
Show InChI InChI=1S/C28H28N4O4/c1-30-8-10-31(11-9-30)12-13-32-17-22(20-5-3-4-6-23(20)32)25-24(27(33)29-28(25)34)21-16-19(35-2)15-18-7-14-36-26(18)21/h3-7,14-17H,8-13H2,1-2H3,(H,29,33,34)
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n/an/a 0.140n/an/an/an/an/an/a



Sterling Road

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 44: 2361-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.012
BindingDB Entry DOI: 10.7270/Q2057FZX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM251576
PNG
(US9452998, Table 4 Compound 6)
Show SMILES Nc1ncc(nc1C(=O)Nc1cnccc1N1CCNCC1)-c1ccccc1F
Show InChI InChI=1S/C20H20FN7O/c21-14-4-2-1-3-13(14)15-12-25-19(22)18(26-15)20(29)27-16-11-24-6-5-17(16)28-9-7-23-8-10-28/h1-6,11-12,23H,7-10H2,(H2,22,25)(H,27,29)
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n/an/a 0.200n/an/an/an/a7.025



Novartis AG

US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


US Patent US9452998 (2016)


BindingDB Entry DOI: 10.7270/Q2C82870
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM251575
PNG
(US9452998, Table 4 Compound 5)
Show SMILES COc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)CC1
Show InChI InChI=1S/C22H25N7O2/c1-31-16-4-2-14(3-5-16)17-13-26-21(24)20(27-17)22(30)28-18-12-25-9-6-19(18)29-10-7-15(23)8-11-29/h2-6,9,12-13,15H,7-8,10-11,23H2,1H3,(H2,24,26)(H,28,30)
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n/an/a 0.200n/an/an/an/a7.025



Novartis AG

US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


US Patent US9452998 (2016)


BindingDB Entry DOI: 10.7270/Q2C82870
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM251574
PNG
(US9452998, Table 4 Compound 4)
Show SMILES NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1
Show InChI InChI=1S/C21H23N7O/c22-15-7-10-28(11-8-15)18-6-9-24-12-17(18)27-21(29)19-20(23)25-13-16(26-19)14-4-2-1-3-5-14/h1-6,9,12-13,15H,7-8,10-11,22H2,(H2,23,25)(H,27,29)
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n/an/a 0.200n/an/an/an/a7.025



Novartis AG

US Patent


Assay Description
Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC α/θ inhibition activity inclu...


US Patent US9452998 (2016)


BindingDB Entry DOI: 10.7270/Q2C82870
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269437
PNG
(CHEMBL4077376)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1F
Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(18-6-4-3-5-15(18)21)9-10-27(14)20-24-17(11-19(28)25(20)2)16-7-8-22-13-23-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


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


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269428
PNG
(CHEMBL4063206)
Show SMILES COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-5-4-6-17(11-16)29-3)9-10-27(15)21-24-19(12-20(28)25(21)2)18-7-8-22-14-23-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3/t15-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


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


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50491937
PNG
(CHEMBL2386090)
Show SMILES O=C(N1CCn2cc(C3=C(C(=O)NC3=O)c3coc4ccccc34)c3cccc(C1)c23)c1cnccn1
Show InChI InChI=1S/C28H19N5O4/c34-26-23(24(27(35)31-26)20-15-37-22-7-2-1-5-17(20)22)19-14-32-10-11-33(28(36)21-12-29-8-9-30-21)13-16-4-3-6-18(19)25(16)32/h1-9,12,14-15H,10-11,13H2,(H,31,34,35)
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n/an/a 0.200n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation


J Med Chem 56: 5115-29 (2013)


Article DOI: 10.1021/jm400511s
BindingDB Entry DOI: 10.7270/Q21R6TFJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50267760
PNG
(3-Benzofuran-3-yl-4-(7-methoxymethyl-1-methyl-1H-i...)
Show SMILES COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12
Show InChI InChI=1S/C23H18N2O4/c1-25-10-16(15-8-5-6-13(11-28-2)21(15)25)19-20(23(27)24-22(19)26)17-12-29-18-9-4-3-7-14(17)18/h3-10,12H,11H2,1-2H3,(H,24,26,27)
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n/an/a 0.230n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by scintillation counting


J Med Chem 52: 1853-63 (2009)


Article DOI: 10.1021/jm801317h
BindingDB Entry DOI: 10.7270/Q24M94FZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269447
PNG
(CHEMBL4076186)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H
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n/an/a 0.25n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


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


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50074676
PNG
(CHEMBL3410091)
Show SMILES NC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C17H18N4O3S/c18-14(22)13-16(24-8-9-1-2-9)21-17(25-13)11-5-6-19-12(7-11)20-15(23)10-3-4-10/h5-7,9-10H,1-4,8H2,(H2,18,22)(H,19,20,23)
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n/an/a 0.290n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay


Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50474994
PNG
(BISARYLMALEIMIDE 1 | Bisarylmaleimide 1)
Show SMILES O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4cccnn34)c3cccc(C1)c23
Show InChI InChI=1S/C27H25N7O3/c35-25-22(23(26(36)30-25)20-14-28-21-8-5-9-29-34(20)21)19-16-32-12-13-33(27(37)31-10-2-1-3-11-31)15-17-6-4-7-18(19)24(17)32/h4-9,14,16H,1-3,10-13,15H2,(H,30,35,36)
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n/an/a 0.300n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit Ser396 phosphorylation of tau, a natural substrate of GSK-3 in SY5Y cells


Bioorg Med Chem Lett 15: 899-903 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.063
BindingDB Entry DOI: 10.7270/Q2H70JJG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50267461
PNG
(3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxyme...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)ccc12
Show InChI InChI=1S/C22H15FN2O4/c1-25-8-15(14-7-12(23)3-5-17(14)25)19-20(22(28)24-21(19)27)16-10-29-18-6-11(9-26)2-4-13(16)18/h2-8,10,26H,9H2,1H3,(H,24,27,28)
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n/an/a 0.350n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by scintillation counting


J Med Chem 52: 1853-63 (2009)


Article DOI: 10.1021/jm801317h
BindingDB Entry DOI: 10.7270/Q24M94FZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50074675
PNG
(CHEMBL3410092)
Show SMILES NC(=O)c1sc(nc1OC1CCC1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C17H18N4O3S/c18-14(22)13-16(24-11-2-1-3-11)21-17(25-13)10-6-7-19-12(8-10)20-15(23)9-4-5-9/h6-9,11H,1-5H2,(H2,18,22)(H,19,20,23)
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n/an/a 0.370n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay


Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50312996
PNG
((R,S)-3-(5-chloro-1-methyl-1H-indol-3-yl)-4-(3-(2,...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCC(O)CO)c2)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H20ClN3O4/c1-26-10-17(16-8-13(23)5-6-18(16)26)20-19(21(29)25-22(20)30)12-3-2-4-14(7-12)24-9-15(28)11-27/h2-8,10,15,24,27-28H,9,11H2,1H3,(H,25,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti...


Bioorg Med Chem Lett 20: 1693-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.038
BindingDB Entry DOI: 10.7270/Q2ZK5HNS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269455
PNG
(CHEMBL4087402)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H
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n/an/a 0.400n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


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


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269438
PNG
(CHEMBL4076060)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


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


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50074677
PNG
(CHEMBL3410090)
Show SMILES CC(C)Oc1nc(sc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C16H18N4O3S/c1-8(2)23-15-12(13(17)21)24-16(20-15)10-5-6-18-11(7-10)19-14(22)9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,17,21)(H,18,19,22)
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n/an/a 0.450n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay


Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269443
PNG
(CHEMBL4095848)
Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(F)c1
Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-4-15(21)10-16)8-9-27(14)20-24-18(11-19(28)25(20)2)17-6-7-22-13-23-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3/t14-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


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


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50534255
PNG
(CHEMBL4468662)
Show SMILES COc1ccc(cc1)-c1c[nH]c2ncc(\C=C\C(=O)NCc3ccncc3)cc12
Show InChI InChI=1S/C23H20N4O2/c1-29-19-5-3-18(4-6-19)21-15-27-23-20(21)12-17(14-26-23)2-7-22(28)25-13-16-8-10-24-11-9-16/h2-12,14-15H,13H2,1H3,(H,25,28)(H,26,27)/b7-2+
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n/an/a 0.508n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant GSK3beta using [YRRAAVPPSPSLSRHSSPHQ-(pS)EDEEE] substrate and pre-incubarted for 20 mins befor...


J Med Chem 59: 9018-9034 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00944
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50267607
PNG
(3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(6-hydroxymet...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12
Show InChI InChI=1S/C22H15BrN2O4/c1-25-8-15(14-7-12(23)3-5-17(14)25)19-20(22(28)24-21(19)27)16-10-29-18-6-11(9-26)2-4-13(16)18/h2-8,10,26H,9H2,1H3,(H,24,27,28)
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n/an/a 0.510n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by scintillation counting


J Med Chem 52: 1853-63 (2009)


Article DOI: 10.1021/jm801317h
BindingDB Entry DOI: 10.7270/Q24M94FZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50491946
PNG
(CHEMBL2386093)
Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C34H34FN5O4/c35-22-16-21-18-40(34(43)38-12-8-23(9-13-38)37-10-4-1-5-11-37)15-14-39-19-26(25(17-22)31(21)39)29-30(33(42)36-32(29)41)27-20-44-28-7-3-2-6-24(27)28/h2-3,6-7,16-17,19-20,23H,1,4-5,8-15,18H2,(H,36,41,42)
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n/an/a 0.530n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation


J Med Chem 56: 5115-29 (2013)


Article DOI: 10.1021/jm400511s
BindingDB Entry DOI: 10.7270/Q21R6TFJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50313013
PNG
(CHEMBL1080901 | CT-98024 | N2-(2-(4-(2,4-dichlorop...)
Show SMILES Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Show InChI InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
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n/an/a 0.560n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti...


Bioorg Med Chem Lett 20: 1693-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.038
BindingDB Entry DOI: 10.7270/Q2ZK5HNS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50362508
PNG
(CHEMBL1940976)
Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O
Show InChI InChI=1S/C20H19FN6O2/c1-11-10-29-20-17(26-7-6-25-13-4-2-3-5-24-13)15(21)16(23)14-18(20)27(11)9-12(8-22)19(14)28/h2-5,9,11,26H,6-7,10,23H2,1H3,(H,24,25)/t11-/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



ActivX Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50313013
PNG
(CHEMBL1080901 | CT-98024 | N2-(2-(4-(2,4-dichlorop...)
Show SMILES Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Show InChI InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
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n/an/a 0.580n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Trends Pharmacol Sci 25: 471-80 (2004)


Article DOI: 10.1016/j.tips.2004.07.006
BindingDB Entry DOI: 10.7270/Q2VX0HG5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50491944
PNG
(CHEMBL2386091)
Show SMILES O=C(Cc1ccncc1)N1CCn2cc(C3=C(C(=O)NC3=O)c3coc4ccccc34)c3cccc(C1)c23
Show InChI InChI=1S/C30H22N4O4/c35-25(14-18-8-10-31-11-9-18)33-12-13-34-16-22(21-6-3-4-19(15-33)28(21)34)26-27(30(37)32-29(26)36)23-17-38-24-7-2-1-5-20(23)24/h1-11,16-17H,12-15H2,(H,32,36,37)
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n/an/a 0.590n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation


J Med Chem 56: 5115-29 (2013)


Article DOI: 10.1021/jm400511s
BindingDB Entry DOI: 10.7270/Q21R6TFJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50313013
PNG
(CHEMBL1080901 | CT-98024 | N2-(2-(4-(2,4-dichlorop...)
Show SMILES Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Show InChI InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
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n/an/a 0.600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotin-CREB peptide substrate after 1 hr by scintillation counting method


J Med Chem 60: 8482-8514 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00922
BindingDB Entry DOI: 10.7270/Q25T3NW3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50362522
PNG
(CHEMBL1940990)
Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O
Show InChI InChI=1S/C21H20FN5O2/c1-12-11-29-21-18(26-8-4-6-14-5-2-3-7-25-14)16(22)17(24)15-19(21)27(12)10-13(9-23)20(15)28/h2-3,5,7,10,12,26H,4,6,8,11,24H2,1H3/t12-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



ActivX Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50243389
PNG
(CHEMBL3185148)
Show SMILES Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O
Show InChI InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)
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n/an/a 0.600n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotin-CREB peptide substrate after 1 hr by scintillation counting method


J Med Chem 60: 8482-8514 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00922
BindingDB Entry DOI: 10.7270/Q25T3NW3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50371954
PNG
(CHEMBL270265)
Show SMILES CCCC1=Nc2[nH]ncc2C(C1c1nnc(C)o1)c1cccc(C#N)c1Br
Show InChI InChI=1S/C19H17BrN6O/c1-3-5-14-16(19-26-24-10(2)27-19)15(13-9-22-25-18(13)23-14)12-7-4-6-11(8-21)17(12)20/h4,6-7,9,15-16H,3,5H2,1-2H3,(H,22,25)
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n/an/a 0.700n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta


Bioorg Med Chem 16: 636-43 (2008)


Article DOI: 10.1016/j.bmc.2007.10.047
BindingDB Entry DOI: 10.7270/Q2Q24133
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150699
PNG
(3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetr...)
Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
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n/an/a 0.700n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta dependent Tau protein serine-396 phosphorylation in human SY5Y cells


J Med Chem 47: 3934-7 (2004)


Article DOI: 10.1021/jm049768a
BindingDB Entry DOI: 10.7270/Q2B56KG1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50474994
PNG
(BISARYLMALEIMIDE 1 | Bisarylmaleimide 1)
Show SMILES O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4cccnn34)c3cccc(C1)c23
Show InChI InChI=1S/C27H25N7O3/c35-25-22(23(26(36)30-25)20-14-28-21-8-5-9-29-34(20)21)19-16-32-12-13-33(27(37)31-10-2-1-3-11-31)15-17-6-4-7-18(19)24(17)32/h4-9,14,16H,1-3,10-13,15H2,(H,30,35,36)
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n/an/a 0.708n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells using GS1 as substrate and [gamma32]ATP after 30 min by scinitllation counting


Citation and Details

Article DOI: 10.1007/s00044-007-9086-8
BindingDB Entry DOI: 10.7270/Q2319ZRR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269447
PNG
(CHEMBL4076186)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H
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n/an/a 0.720n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


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


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50267800
PNG
(3-(6-Hydroxymethylbenzofuran-3-yl)-4-(7-methoxymet...)
Show SMILES COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2cc(CO)ccc12
Show InChI InChI=1S/C24H20N2O5/c1-26-9-17(16-5-3-4-14(11-30-2)22(16)26)20-21(24(29)25-23(20)28)18-12-31-19-8-13(10-27)6-7-15(18)19/h3-9,12,27H,10-11H2,1-2H3,(H,25,28,29)
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n/an/a 0.730n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by scintillation counting


J Med Chem 52: 1853-63 (2009)


Article DOI: 10.1021/jm801317h
BindingDB Entry DOI: 10.7270/Q24M94FZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50259156
PNG
(CHEMBL4084151)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCC2N=CC=N2)c2ccccc12)c1noc2ccccc12
Show InChI InChI=1S/C24H17N5O3/c30-23-20(21(24(31)27-23)22-15-6-2-4-8-18(15)32-28-22)16-13-29(12-9-19-25-10-11-26-19)17-7-3-1-5-14(16)17/h1-8,10-11,13,19H,9,12H2,(H,27,30,31)
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n/an/a 0.730n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged GSK3beta expressed in baculovirus expression system using Ser/Thr 9 peptide substrate by Z'-LY...


Eur J Med Chem 125: 464-477 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.058
BindingDB Entry DOI: 10.7270/Q2CN76CN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50475007
PNG
(BISARYLMALEIMIDE 2 | Bisarylmaleimide 2)
Show SMILES O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cncc4ccoc34)c3cccc(C1)c23
Show InChI InChI=1S/C27H23N5O5/c33-25-21(19-13-28-12-16-4-9-37-24(16)19)22(26(34)29-25)20-15-31-5-6-32(27(35)30-7-10-36-11-8-30)14-17-2-1-3-18(20)23(17)31/h1-4,9,12-13,15H,5-8,10-11,14H2,(H,29,33,34)
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n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells using GS1 as substrate and [gamma32]ATP after 30 min by scinitllation counting


Citation and Details

Article DOI: 10.1007/s00044-007-9086-8
BindingDB Entry DOI: 10.7270/Q2319ZRR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269440
PNG
(CHEMBL4065818)
Show SMILES COc1ccccc1N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1
Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(18-6-4-5-7-19(18)29-3)10-11-27(15)21-24-17(12-20(28)25(21)2)16-8-9-22-14-23-16/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...


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


Article DOI: 10.1016/j.bmcl.2017.06.077
BindingDB Entry DOI: 10.7270/Q2XW4N9C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50475007
PNG
(BISARYLMALEIMIDE 2 | Bisarylmaleimide 2)
Show SMILES O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cncc4ccoc34)c3cccc(C1)c23
Show InChI InChI=1S/C27H23N5O5/c33-25-21(19-13-28-12-16-4-9-37-24(16)19)22(26(34)29-25)20-15-31-5-6-32(27(35)30-7-10-36-11-8-30)14-17-2-1-3-18(20)23(17)31/h1-4,9,12-13,15H,5-8,10-11,14H2,(H,29,33,34)
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n/an/a 0.800n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Glycogen synthase kinase-3


Bioorg Med Chem Lett 15: 899-903 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.063
BindingDB Entry DOI: 10.7270/Q2H70JJG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8349
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 13 | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br
Show InChI InChI=1S/C16H13BrN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 0.800n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50475025
PNG
(CHEMBL181339)
Show SMILES O=C(C1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C28H25N5O4/c34-26-23(24(27(35)30-26)21-14-29-22-6-1-2-9-33(21)22)20-16-31-10-11-32(28(36)17-7-12-37-13-8-17)15-18-4-3-5-19(20)25(18)31/h1-6,9,14,16-17H,7-8,10-13,15H2,(H,30,34,35)
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n/an/a 0.800n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Glycogen synthase kinase-3


Bioorg Med Chem Lett 15: 899-903 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.063
BindingDB Entry DOI: 10.7270/Q2H70JJG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM84533
PNG
(Alsterpaullone derivative, 7 | BDBM50375663)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1
Show InChI InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)
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n/an/a 0.800n/an/an/an/a7.530



Technische Universität Braunschweig



Assay Description
Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.


Chembiochem 6: 541-9 (2005)


Article DOI: 10.1002/cbic.200400099
BindingDB Entry DOI: 10.7270/Q2FX780X
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50074576
PNG
(CHEMBL3410111)
Show SMILES CC(C)Oc1nc(ncc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C17H19N5O3/c1-9(2)25-17-12(14(18)23)8-20-15(22-17)11-5-6-19-13(7-11)21-16(24)10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,18,23)(H,19,21,24)
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n/an/a 0.830n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay


Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50362513
PNG
(CHEMBL1940981)
Show SMILES C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c2n1cc(C#N)c3=O
Show InChI InChI=1S/C19H19FN6O2/c1-11-10-28-19-16(23-4-2-6-25-7-3-5-24-25)14(20)15(22)13-17(19)26(11)9-12(8-21)18(13)27/h3,5,7,9,11,23H,2,4,6,10,22H2,1H3/t11-/m0/s1
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n/an/a 0.860n/an/an/an/an/an/a



ActivX Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1005-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50491941
PNG
(CHEMBL2386272)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cnc3ccccn23)c2cc(Br)ccc12
Show InChI InChI=1S/C20H13BrN4O2/c1-24-10-13(12-8-11(21)5-6-14(12)24)17-18(20(27)23-19(17)26)15-9-22-16-4-2-3-7-25(15)16/h2-10H,1H3,(H,23,26,27)
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n/an/a 0.870n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation


J Med Chem 56: 5115-29 (2013)


Article DOI: 10.1021/jm400511s
BindingDB Entry DOI: 10.7270/Q21R6TFJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150699
PNG
(3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetr...)
Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
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n/an/a 0.900n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Drug Metab Dispos 41: 714-26 (2013)


Article DOI: 10.1124/dmd.112.048488
BindingDB Entry DOI: 10.7270/Q2FT8NS4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50150699
PNG
(3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetr...)
Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
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n/an/a 0.900n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate measured in presence of [gamma-33P]ATP by radiometric assay


Eur J Med Chem 171: 221-234 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.039
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50269455
PNG
(CHEMBL4087402)
Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H
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n/an/a 0.900n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...


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


Article DOI: 10.1016/j.bmcl.2017.06.078
BindingDB Entry DOI: 10.7270/Q2T43WKZ
More data for this
Ligand-Target Pair
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