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Compile Data Set for Download or QSAR

Found 168 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3' AND taxid = 9823   
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


(Homo sapiens (human))
BDBM50067514
PNG
(CHEMBL3401978)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1
Show InChI InChI=1S/C22H21F2N7O3/c23-12-5-13-14(7-26-18(13)25-6-12)19-27-8-16(24)20(29-19)28-17-11-3-1-10(2-4-11)15(17)9-31-21(32)30-22(33)34-31/h5-8,10-11,15,17H,1-4,9H2,(H,25,26)(H,27,28,29)(H,30,32,33)/t10?,11?,15-,17-/m0/s1
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23n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067515
PNG
(CHEMBL3401979)
Show SMILES Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C22H20F2N6O2/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(31)32-30-16/h5-11,18-19,31H,1-4H2,(H,25,26)(H,27,28,29)/t10?,11?,18-,19+/m1/s1
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60n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067537
PNG
(CHEMBL3401987)
Show SMILES CC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C21H23F2N5O/c1-10(29)17-11-2-4-12(5-3-11)18(17)27-21-16(23)9-26-20(28-21)15-8-25-19-14(15)6-13(22)7-24-19/h6-12,17-18,29H,2-5H2,1H3,(H,24,25)(H,26,27,28)/t10?,11?,12?,17-,18-/m0/s1
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66n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067540
PNG
(CHEMBL3401990)
Show SMILES CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C20H21F2N5O2S/c1-30(28,29)17-11-4-2-10(3-5-11)16(17)26-20-15(22)9-25-19(27-20)14-8-24-18-13(14)6-12(21)7-23-18/h6-11,16-17H,2-5H2,1H3,(H,23,24)(H,25,26,27)/t10?,11?,16-,17-/m0/s1
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77n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067533
PNG
(CHEMBL3401984)
Show SMILES OCC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C21H23F2N5O2/c22-12-5-13-14(7-25-19(13)24-6-12)20-26-8-15(23)21(28-20)27-18-11-3-1-10(2-4-11)17(18)16(30)9-29/h5-8,10-11,16-18,29-30H,1-4,9H2,(H,24,25)(H,26,27,28)/t10?,11?,16?,17-,18+/m1/s1
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78n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067531
PNG
(CHEMBL3401983)
Show SMILES NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C19H20F2N6O2S/c20-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(21)19(27-18)26-15-9-1-3-10(4-2-9)16(15)30(22,28)29/h5-10,15-16H,1-4H2,(H,23,24)(H2,22,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1
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85n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067513
PNG
(CHEMBL3401977)
Show SMILES OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C21H24F2N5O3P/c22-13-7-15-16(9-25-19(15)24-8-13)20-26-10-17(23)21(28-20)27-18-12-3-1-11(2-4-12)14(18)5-6-32(29,30)31/h7-12,14,18H,1-6H2,(H,24,25)(H,26,27,28)(H2,29,30,31)/t11?,12?,14-,18-/m0/s1
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120n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067535
PNG
(CHEMBL3401986)
Show SMILES CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C21H22F2N6O/c1-24-21(30)16-10-2-4-11(5-3-10)17(16)28-20-15(23)9-27-19(29-20)14-8-26-18-13(14)6-12(22)7-25-18/h6-11,16-17H,2-5H2,1H3,(H,24,30)(H,25,26)(H,27,28,29)/t10?,11?,16-,17-/m0/s1
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230n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067517
PNG
(CHEMBL3401980)
Show SMILES CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C21H22F2N6O3S/c1-10(30)29-33(31,32)18-12-4-2-11(3-5-12)17(18)27-21-16(23)9-26-20(28-21)15-8-25-19-14(15)6-13(22)7-24-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,24,25)(H,29,30)(H,26,27,28)/t11?,12?,17-,18-/m0/s1
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310n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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500n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of GSKp1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067538
PNG
(CHEMBL3401988)
Show SMILES Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C22H21F2N7O/c1-10-28-22(32-31-10)17-11-2-4-12(5-3-11)18(17)29-21-16(24)9-27-20(30-21)15-8-26-19-14(15)6-13(23)7-25-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,25,26)(H,27,29,30)/t11?,12?,17-,18-/m0/s1
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980n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067539
PNG
(CHEMBL3401989)
Show SMILES Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C22H21F2N7O/c1-10-30-31-22(32-10)17-11-2-4-12(5-3-11)18(17)28-21-16(24)9-27-20(29-21)15-8-26-19-14(15)6-13(23)7-25-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,25,26)(H,27,28,29)/t11?,12?,17-,18-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067534
PNG
(CHEMBL3401985)
Show SMILES Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C22H21F2N7O/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(32)31-30-16/h5-11,18-19H,1-4H2,(H,25,26)(H,27,28,29)(H2,30,31,32)/t10?,11?,18-,19+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067518
PNG
(CHEMBL3401981)
Show SMILES Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C22H20F2N6O2/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(31)30-32-16/h5-11,18-19H,1-4H2,(H,25,26)(H,30,31)(H,27,28,29)/t10?,11?,18-,19+/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50050712
PNG
(CHEMBL3318007)
Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of GSKp1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of GSKp1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067541
PNG
(CHEMBL3401975)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1
Show InChI InChI=1S/C20H19F2N9/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20-28-30-31-29-20/h5-10,15-16H,1-4H2,(H,23,24)(H,25,26,27)(H,28,29,30,31)/t9?,10?,15-,16-/m0/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067542
PNG
(CHEMBL3401976)
Show SMILES OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1S/C19H20F2N5O3P/c20-11-5-12-13(7-23-17(12)22-6-11)18-24-8-14(21)19(26-18)25-15-9-1-3-10(4-2-9)16(15)30(27,28)29/h5-10,15-16H,1-4H2,(H,22,23)(H,24,25,26)(H2,27,28,29)/t9?,10?,15-,16-/m0/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50067520
PNG
(CHEMBL3401982)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1
Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.013
BindingDB Entry DOI: 10.7270/Q2V40WW5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50219326
PNG
(PYRAZOLOPYRIMIDINE 1)
Show SMILES CN(C)CCNC(=O)c1ccc(\C=N\Nc2ncnc3n(ncc23)-c2cccc3[nH]cnc23)cc1
Show InChI InChI=1S/C24H24N10O/c1-33(2)11-10-25-24(35)17-8-6-16(7-9-17)12-30-32-22-18-13-31-34(23(18)29-15-28-22)20-5-3-4-19-21(20)27-14-26-19/h3-9,12-15H,10-11H2,1-2H3,(H,25,35)(H,26,27)(H,28,29,32)/b30-12+
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline Research and Development, 5 Moore Drive, Research Triangle Park, NC 27709, USA. ajp25551@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50219327
PNG
(GW811168X | PYRAZOLOPYRIMIDINE 2)
Show SMILES COc1cccc(c1)-n1ncc2c(N\N=C\c3ccc(cc3)S(C)(=O)=O)ncnc12
Show InChI InChI=1S/C20H18N6O3S/c1-29-16-5-3-4-15(10-16)26-20-18(12-24-26)19(21-13-22-20)25-23-11-14-6-8-17(9-7-14)30(2,27)28/h3-13H,1-2H3,(H,21,22,25)/b23-11+
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline Research and Development, 5 Moore Drive, Research Triangle Park, NC 27709, USA. ajp25551@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50219340
PNG
(CHEMBL65944)
Show SMILES N(\N=C\c1ccncc1)c1ncnc2n(ncc12)-c1cccc2[nH]cnc12
Show InChI InChI=1S/C18H13N9/c1-2-14-16(21-10-20-14)15(3-1)27-18-13(9-25-27)17(22-11-23-18)26-24-8-12-4-6-19-7-5-12/h1-11H,(H,20,21)(H,22,23,26)/b24-8+
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development, 5 Moore Drive, Research Triangle Park, NC 27709, USA. ajp25551@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Sus scrofa)
BDBM7401
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -oxime | (3E)-6-bromo...)
Show SMILES Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine brain GSK3beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate


Citation and Details

Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025628
PNG
(CHEMBL3335124)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C18H22N4O3/c1-25-14-9-7-13(8-10-14)20-18(24)16-15(11-19-22-16)21-17(23)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,19,22)(H,20,24)(H,21,23)/t13-,14-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025634
PNG
(CHEMBL3335125)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1F
Show InChI InChI=1S/C18H21FN4O3/c1-26-12-8-6-11(7-9-12)21-18(25)16-15(10-20-23-16)22-17(24)13-4-2-3-5-14(13)19/h2-5,10-12H,6-9H2,1H3,(H,20,23)(H,21,25)(H,22,24)/t11-,12-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025640
PNG
(CHEMBL3335141)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(OC)cccc1OC
Show InChI InChI=1S/C20H26N4O5/c1-27-13-9-7-12(8-10-13)22-20(26)18-14(11-21-24-18)23-19(25)17-15(28-2)5-4-6-16(17)29-3/h4-6,11-13H,7-10H2,1-3H3,(H,21,24)(H,22,26)(H,23,25)/t12-,13-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025642
PNG
(CHEMBL3335143)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C18H20F2N4O3/c1-27-12-5-3-11(4-6-12)22-18(26)16-15(9-21-24-16)23-17(25)13-7-2-10(19)8-14(13)20/h2,7-9,11-12H,3-6H2,1H3,(H,21,24)(H,22,26)(H,23,25)/t11-,12-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025643
PNG
(CHEMBL3335144)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C18H20F2N4O3/c1-27-14-4-2-13(3-5-14)22-18(26)16-15(9-21-24-16)23-17(25)10-6-11(19)8-12(20)7-10/h6-9,13-14H,2-5H2,1H3,(H,21,24)(H,22,26)(H,23,25)/t13-,14-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025644
PNG
(CHEMBL3335145)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H20Cl2N4O3/c1-27-14-4-2-13(3-5-14)22-18(26)16-15(9-21-24-16)23-17(25)10-6-11(19)8-12(20)7-10/h6-9,13-14H,2-5H2,1H3,(H,21,24)(H,22,26)(H,23,25)/t13-,14-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025645
PNG
(CHEMBL3335146)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H22F2N4O4/c1-28-13-8-4-12(5-9-13)23-18(27)16-15(10-22-25-16)24-17(26)11-2-6-14(7-3-11)29-19(20)21/h2-3,6-7,10,12-13,19H,4-5,8-9H2,1H3,(H,22,25)(H,23,27)(H,24,26)/t12-,13-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025646
PNG
(CHEMBL3335147)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C22H29N5O3/c1-30-18-10-6-16(7-11-18)24-22(29)20-19(14-23-26-20)25-21(28)15-4-8-17(9-5-15)27-12-2-3-13-27/h4-5,8-9,14,16,18H,2-3,6-7,10-13H2,1H3,(H,23,26)(H,24,29)(H,25,28)/t16-,18-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025647
PNG
(CHEMBL3335148)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H32N6O3/c1-28-11-13-29(14-12-28)18-7-3-16(4-8-18)22(30)26-20-15-24-27-21(20)23(31)25-17-5-9-19(32-2)10-6-17/h3-4,7-8,15,17,19H,5-6,9-14H2,1-2H3,(H,24,27)(H,25,31)(H,26,30)/t17-,19-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025648
PNG
(CHEMBL3335149)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C20H22N4O4/c1-27-14-8-6-13(7-9-14)22-20(26)18-15(11-21-24-18)23-19(25)17-10-12-4-2-3-5-16(12)28-17/h2-5,10-11,13-14H,6-9H2,1H3,(H,21,24)(H,22,26)(H,23,25)/t13-,14-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025649
PNG
(CHEMBL3335150)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cc2ccccn2n1
Show InChI InChI=1S/C19H22N6O3/c1-28-14-7-5-12(6-8-14)21-19(27)17-16(11-20-23-17)22-18(26)15-10-13-4-2-3-9-25(13)24-15/h2-4,9-12,14H,5-8H2,1H3,(H,20,23)(H,21,27)(H,22,26)/t12-,14-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025650
PNG
(CHEMBL3335151)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1cnc2ccccn12
Show InChI InChI=1S/C19H22N6O3/c1-28-13-7-5-12(6-8-13)22-19(27)17-14(10-21-24-17)23-18(26)15-11-20-16-4-2-3-9-25(15)16/h2-4,9-13H,5-8H2,1H3,(H,21,24)(H,22,27)(H,23,26)/t12-,13-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025652
PNG
(CHEMBL3335153)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C22H24N4O4/c1-29-16-9-7-15(8-10-16)24-22(28)20-17(13-23-26-20)25-21(27)19-12-11-18(30-19)14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10H2,1H3,(H,23,26)(H,24,28)(H,25,27)/t15-,16-
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n/an/a<5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025653
PNG
(CHEMBL3335154)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ncoc1-c1ccccc1
Show InChI InChI=1S/C21H23N5O4/c1-29-15-9-7-14(8-10-15)24-20(27)17-16(11-23-26-17)25-21(28)18-19(30-12-22-18)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t14-,15-
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n/an/a 5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50219004
PNG
(CHEMBL66072)
Show SMILES OC(=O)c1ccc(\C=N\Nc2ncnc3n(ncc23)-c2cccc3[nH]cnc23)cc1
Show InChI InChI=1S/C20H14N8O2/c29-20(30)13-6-4-12(5-7-13)8-25-27-18-14-9-26-28(19(14)24-11-23-18)16-3-1-2-15-17(16)22-10-21-15/h1-11H,(H,21,22)(H,29,30)(H,23,24,27)/b25-8+
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline Research and Development, 5 Moore Drive, Research Triangle Park, NC 27709, USA. ajp25551@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50219001
PNG
(CHEMBL69687)
Show SMILES CS(=O)(=O)c1ccc(\C=N\Nc2ncnc3n(ncc23)-c2cccc3[nH]cnc23)cc1
Show InChI InChI=1S/C20H16N8O2S/c1-31(29,30)14-7-5-13(6-8-14)9-25-27-19-15-10-26-28(20(15)24-12-23-19)17-4-2-3-16-18(17)22-11-21-16/h2-12H,1H3,(H,21,22)(H,23,24,27)/b25-9+
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline Research and Development, 5 Moore Drive, Research Triangle Park, NC 27709, USA. ajp25551@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM7262
PNG
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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n/an/a 5n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (unknown origin)


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50219003
PNG
(CHEMBL66860)
Show SMILES Fc1ccc(\C=N\Nc2ncnc3n(ncc23)-c2cccc3[nH]cnc23)cc1
Show InChI InChI=1S/C19H13FN8/c20-13-6-4-12(5-7-13)8-25-27-18-14-9-26-28(19(14)24-11-23-18)16-3-1-2-15-17(16)22-10-21-15/h1-11H,(H,21,22)(H,23,24,27)/b25-8+
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline Research and Development, 5 Moore Drive, Research Triangle Park, NC 27709, USA. ajp25551@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50219339
PNG
(GW784752X)
Show SMILES COc1cccc(c1)-n1ncc2c(N\N=C\c3ccncc3)ncnc12
Show InChI InChI=1S/C18H15N7O/c1-26-15-4-2-3-14(9-15)25-18-16(11-23-25)17(20-12-21-18)24-22-10-13-5-7-19-8-6-13/h2-12H,1H3,(H,20,21,24)/b22-10+
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline Research and Development, 5 Moore Drive, Research Triangle Park, NC 27709, USA. ajp25551@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50219328
PNG
(GW817396X)
Show SMILES COc1cccc(c1)-n1ncc2c(N\N=C\c3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C19H15FN6O/c1-27-16-4-2-3-15(9-16)26-19-17(11-24-26)18(21-12-22-19)25-23-10-13-5-7-14(20)8-6-13/h2-12H,1H3,(H,21,22,25)/b23-10+
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline Research and Development, 5 Moore Drive, Research Triangle Park, NC 27709, USA. ajp25551@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025630
PNG
(CHEMBL3335120)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)C1CCOCC1
Show InChI InChI=1S/C17H26N4O4/c1-24-13-4-2-12(3-5-13)19-17(23)15-14(10-18-21-15)20-16(22)11-6-8-25-9-7-11/h10-13H,2-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)/t12-,13-
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n/an/a 8n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025631
PNG
(CHEMBL3335119)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)C1CCC(F)(F)CC1
Show InChI InChI=1S/C18H26F2N4O3/c1-27-13-4-2-12(3-5-13)22-17(26)15-14(10-21-24-15)23-16(25)11-6-8-18(19,20)9-7-11/h10-13H,2-9H2,1H3,(H,21,24)(H,22,26)(H,23,25)/t12-,13-
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n/an/a 8n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of GSK3


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025637
PNG
(CHEMBL3335128)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O4/c1-26-13-9-7-12(8-10-13)21-19(25)17-15(11-20-23-17)22-18(24)14-5-3-4-6-16(14)27-2/h3-6,11-13H,7-10H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)/t12-,13-
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n/an/a<13n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50025635
PNG
(CHEMBL3335126)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H21F3N4O3/c1-29-12-8-6-11(7-9-12)24-18(28)16-15(10-23-26-16)25-17(27)13-4-2-3-5-14(13)19(20,21)22/h2-5,10-12H,6-9H2,1H3,(H,23,26)(H,24,28)(H,25,27)/t11-,12-
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n/an/a<13n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay


J Med Chem 57: 7536-49 (2014)


Article DOI: 10.1021/jm500239b
BindingDB Entry DOI: 10.7270/Q2M04712
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50219005
PNG
(CHEMBL67374)
Show SMILES COc1cccc(c1)-n1ncc2c(N\N=C\c3ccc(cc3)C(=O)NCCN(C)C)ncnc12
Show InChI InChI=1S/C24H26N8O2/c1-31(2)12-11-25-24(33)18-9-7-17(8-10-18)14-28-30-22-21-15-29-32(23(21)27-16-26-22)19-5-4-6-20(13-19)34-3/h4-10,13-16H,11-12H2,1-3H3,(H,25,33)(H,26,27,30)/b28-14+
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Research and Development, 5 Moore Drive, Research Triangle Park, NC 27709, USA. ajp25551@gsk.com

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
More data for this
Ligand-Target Pair
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