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Compile Data Set for Download or QSAR

Found 2292 hits of ic50 data for polymerid = 1003   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3


(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/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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



Lilly Research Laboratories

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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM84533
PNG
(Alsterpaullone derivative, 7)
Show SMILES O=C1Cc2c([nH]c3ccc(cc23)N(=O)=O)-c2cc(CCC#N)ccc2N1
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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Drug Metab Dispos 41: 714-26 (2013)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50267523
PNG
(3-(6-Chloro-5-fluoro-1-methyl-1H-indol-3-yl)-4-(6-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12
Show InChI InChI=1S/C22H14ClFN2O4/c1-26-7-13(12-5-16(24)15(23)6-17(12)26)19-20(22(29)25-21(19)28)14-9-30-18-4-10(8-27)2-3-11(14)18/h2-7,9,27H,8H2,1H3,(H,25,28,29)
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n/an/a 0.950n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50386918
PNG
(CHEMBL2048663)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccoc2)cc1
Show InChI InChI=1S/C21H21N5O4S/c1-2-31(28,29)26-16-5-3-14(4-6-16)7-10-23-21(27)17-8-11-22-20-18(17)24-19(25-20)15-9-12-30-13-15/h3-6,8-9,11-13,26H,2,7,10H2,1H3,(H,23,27)(H,22,24,25)
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n/an/a 1n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50312997
PNG
(3-(3-(3-hydroxypropylamino)phenyl)-4-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCCCO)c2)c2ccccc12
Show InChI InChI=1S/C22H21N3O3/c1-25-13-17(16-8-2-3-9-18(16)25)20-19(21(27)24-22(20)28)14-6-4-7-15(12-14)23-10-5-11-26/h2-4,6-9,12-13,23,26H,5,10-11H2,1H3,(H,24,27,28)
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n/an/a 1n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM251573
PNG
(US9452998, Table 4 Compound 3)
Show SMILES NC1CCN(CC1)c1ccccc1NC(=O)c1nc(cnc1N)-c1ccccc1
Show InChI InChI=1S/C22H24N6O/c23-16-10-12-28(13-11-16)19-9-5-4-8-17(19)27-22(29)20-21(24)25-14-18(26-20)15-6-2-1-3-7-15/h1-9,14,16H,10-13,23H2,(H2,24,25)(H,27,29)
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n/an/a 1n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50329463
PNG
(2-Phenyl-5-(2-phenylamino-pyrimidin-4-yl)-1H-pyrro...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H17N5O/c22-20(27)16-13-18(25-19(16)14-7-3-1-4-8-14)17-11-12-23-21(26-17)24-15-9-5-2-6-10-15/h1-13,25H,(H2,22,27)(H,23,24,26)
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n/an/a<1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 53: 7296-315 (2010)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50329417
PNG
(5-(3-Fluoro-pyridin-4-yl)-2-phenyl-1H-pyrrole-3-ca...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccncc1F
Show InChI InChI=1S/C16H12FN3O/c17-13-9-19-7-6-11(13)14-8-12(16(18)21)15(20-14)10-4-2-1-3-5-10/h1-9,20H,(H2,18,21)
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n/an/a<1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 53: 7296-315 (2010)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50365602
PNG
(CHEMBL1957949)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H21FN4O4S/c1-33(31,32)28-17-8-2-14(3-9-17)12-13-25-23(30)18-10-11-19(29)21-20(18)26-22(27-21)15-4-6-16(24)7-5-15/h2-11,28-29H,12-13H2,1H3,(H,25,30)(H,26,27)
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n/an/a 1n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 1891-4 (2012)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50362518
PNG
(CHEMBL1940986)
Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C#N)c3=O
Show InChI InChI=1S/C19H19FN6O2/c1-11-9-28-19-16(24-3-2-5-25-6-4-23-10-25)14(20)15(22)13-17(19)26(11)8-12(7-21)18(13)27/h4,6,8,10-11,24H,2-3,5,9,22H2,1H3/t11-/m0/s1
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n/an/a 1n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8350
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 14 | N-[5-...)
Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Cl
Show InChI InChI=1S/C16H13ClN4O2/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 1n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM8359
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 23 | N-[5-...)
Show SMILES CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(c(Br)cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H20BrN5O2/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27)
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n/an/a 1n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Glycogen synthase kinase-3 beta


J Med Chem 47: 3934-7 (2004)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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 1.10n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50074681
PNG
(CHEMBL3410089)
Show SMILES COc1nc(sc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20)
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n/an/a 1.10n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50267802
PNG
(3-[3-(4-Benzofuran-3-yl-2,5-dioxo-2,5-dihydro-1H-p...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CCC(O)=O)c12
Show InChI InChI=1S/C24H18N2O5/c1-26-11-16(15-7-4-5-13(22(15)26)9-10-19(27)28)20-21(24(30)25-23(20)29)17-12-31-18-8-3-2-6-14(17)18/h2-8,11-12H,9-10H2,1H3,(H,27,28)(H,25,29,30)
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n/an/a 1.20n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50150700
PNG
(7-(4-Imidazo[1,2-a]pyridin-3-yl-2,5-dioxo-2,5-dihy...)
Show SMILES CC(C)OC(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C26H23N5O4/c1-15(2)35-26(34)30-11-10-29-14-18(17-7-5-6-16(13-30)23(17)29)21-22(25(33)28-24(21)32)19-12-27-20-8-3-4-9-31(19)20/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,28,32,33)
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n/an/a 1.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Glycogen synthase kinase-3 beta


J Med Chem 47: 3934-7 (2004)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50150698
PNG
(3-(imidazo[1,2-a]pyridin-3-yl)-4-(2-(morpholine-4-...)
Show SMILES O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C27H24N6O4/c34-25-22(23(26(35)29-25)20-14-28-21-6-1-2-7-33(20)21)19-16-31-8-9-32(27(36)30-10-12-37-13-11-30)15-17-4-3-5-18(19)24(17)31/h1-7,14,16H,8-13,15H2,(H,29,34,35)
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n/an/a 1.30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


J Med Chem 53: 4332-53 (2010)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50150698
PNG
(3-(imidazo[1,2-a]pyridin-3-yl)-4-(2-(morpholine-4-...)
Show SMILES O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C27H24N6O4/c34-25-22(23(26(35)29-25)20-14-28-21-6-1-2-7-33(20)21)19-16-31-8-9-32(27(36)30-10-12-37-13-11-30)15-17-4-3-5-18(19)24(17)31/h1-7,14,16H,8-13,15H2,(H,29,34,35)
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n/an/a 1.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Glycogen synthase kinase-3 beta


J Med Chem 47: 3934-7 (2004)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM36523
PNG
(DW12)
Show SMILES Oc1ccc2n3[Ru](C#N)[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C17H10N3O3.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2;/h1-7H,(H3,18,19,20,21,22,23);;/q;;+2/p-1
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n/an/a 1.40n/an/an/an/a7.537



University of Pennsylvania



Assay Description
Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate...


ACS Chem Biol 3: 305-16 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50362511
PNG
(CHEMBL1940979)
Show SMILES C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C#N)c3=O
Show InChI InChI=1S/C22H21FN4O2/c1-13-12-29-22-19(26-9-5-8-14-6-3-2-4-7-14)17(23)18(25)16-20(22)27(13)11-15(10-24)21(16)28/h2-4,6-7,11,13,26H,5,8-9,12,25H2,1H3/t13-/m0/s1
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n/an/a 1.40n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50400752
PNG
(CHEMBL2203552)
Show SMILES COc1cnc(nc1-c1cc2c(CCNC2=O)[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H17N5O2/c1-28-18-11-24-20(13-8-12-4-2-3-5-15(12)23-10-13)26-19(18)17-9-14-16(25-17)6-7-22-21(14)27/h2-5,8-11,25H,6-7H2,1H3,(H,22,27)
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n/an/a 1.49n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3beta


Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50371953
PNG
(CHEMBL270473)
Show SMILES CN1CCN(Cc2ccc3nc([nH]c3c2)-c2cc(n[nH]c2=O)-c2cc(C)c(O)c(C)c2)CC1
Show InChI InChI=1S/C25H28N6O2/c1-15-10-18(11-16(2)23(15)32)21-13-19(25(33)29-28-21)24-26-20-5-4-17(12-22(20)27-24)14-31-8-6-30(3)7-9-31/h4-5,10-13,32H,6-9,14H2,1-3H3,(H,26,27)(H,29,33)
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n/an/a 1.5n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50150702
PNG
(3-Imidazo[1,2-a]pyridin-3-yl-4-[2-(piperidine-1-ca...)
Show SMILES O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C28H26N6O3/c35-26-23(24(27(36)30-26)21-15-29-22-9-2-5-12-34(21)22)20-17-32-13-14-33(28(37)31-10-3-1-4-11-31)16-18-7-6-8-19(20)25(18)32/h2,5-9,12,15,17H,1,3-4,10-11,13-14,16H2,(H,30,35,36)
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n/an/a 1.60n/an/an/an/an/an/a



Lilly Research Laboratories

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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50150701
PNG
(7-(4-(H-imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-...)
Show SMILES CN(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C25H22N6O3/c1-28(2)25(34)30-11-10-29-14-17(16-7-5-6-15(13-30)22(16)29)20-21(24(33)27-23(20)32)18-12-26-19-8-3-4-9-31(18)19/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,32,33)
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n/an/a 1.60n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50150701
PNG
(7-(4-(H-imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-...)
Show SMILES CN(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C25H22N6O3/c1-28(2)25(34)30-11-10-29-14-17(16-7-5-6-15(13-30)22(16)29)20-21(24(33)27-23(20)32)18-12-26-19-8-3-4-9-31(18)19/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,32,33)
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n/an/a 1.60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Glycogen synthase kinase-3 beta


J Med Chem 47: 3934-7 (2004)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM2647
PNG
((Phenylindolyl)maleimide deriv. 69 | 3-(3-aminophe...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cccc(N)c2)c2ccccc12
Show InChI InChI=1S/C19H15N3O2/c1-22-10-14(13-7-2-3-8-15(13)22)17-16(18(23)21-19(17)24)11-5-4-6-12(20)9-11/h2-10H,20H2,1H3,(H,21,23,24)
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n/an/a 1.80n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50312998
PNG
((R,S)-3-(3-(2,3-dihydroxypropyl)phenyl)-4-(5-fluor...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cccc(CC(O)CO)c2)c2cc(F)ccc12
Show InChI InChI=1S/C22H19FN2O4/c1-25-10-17(16-9-14(23)5-6-18(16)25)20-19(21(28)24-22(20)29)13-4-2-3-12(7-13)8-15(27)11-26/h2-7,9-10,15,26-27H,8,11H2,1H3,(H,24,28,29)
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n/an/a 1.80n/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)

More data for this
Ligand-Target Pair
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