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PubMed code 27406796

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
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 54n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190178
PNG
(CHEMBL3828321)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H17N5O3/c1-12-22-16-8-4-5-9-17(16)25(12)11-18(26)23-24-20(28)19(27)14-10-21-15-7-3-2-6-13(14)15/h2-10,21H,11H2,1H3,(H,23,26)(H,24,28)
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n/an/a 72n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190311
PNG
(CHEMBL3828131)
Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2F)s1
Show InChI InChI=1S/C17H14FN5S/c1-11-19-14-8-4-5-9-15(14)23(11)10-16-21-22-17(24-16)20-13-7-3-2-6-12(13)18/h2-9H,10H2,1H3,(H,20,22)
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n/an/a 76n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190176
PNG
(CHEMBL3828240)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N4O4/c1-18-27-22-9-5-6-10-23(22)30(18)17-26(33)29-28-25(32)16-15-24(31)19-11-13-21(14-12-19)34-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3,(H,28,32)(H,29,33)
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n/an/a 80n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190171
PNG
(CHEMBL3827219)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccccc1C
Show InChI InChI=1S/C19H20N4O2/c1-13-7-3-4-8-15(13)11-18(24)21-22-19(25)12-23-14(2)20-16-9-5-6-10-17(16)23/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25)
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n/an/a 92n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190177
PNG
(CHEMBL3828609)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccccc1
Show InChI InChI=1S/C18H18N4O2/c1-13-19-15-9-5-6-10-16(15)22(13)12-18(24)21-20-17(23)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,23)(H,21,24)
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n/an/a 105n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190184
PNG
(CHEMBL3827727)
Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(cc2)[N+]([O-])=O)s1
Show InChI InChI=1S/C17H14N6O2S/c1-11-18-14-4-2-3-5-15(14)22(11)10-16-20-21-17(26-16)19-12-6-8-13(9-7-12)23(24)25/h2-9H,10H2,1H3,(H,19,21)
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n/an/a 107n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190314
PNG
(CHEMBL3827511)
Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2Cl)s1
Show InChI InChI=1S/C17H14ClN5S/c1-11-19-14-8-4-5-9-15(14)23(11)10-16-21-22-17(24-16)20-13-7-3-2-6-12(13)18/h2-9H,10H2,1H3,(H,20,22)
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n/an/a 122n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190175
PNG
(CHEMBL3828624)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc[nH]1
Show InChI InChI=1S/C15H15N5O2/c1-10-17-11-5-2-3-7-13(11)20(10)9-14(21)18-19-15(22)12-6-4-8-16-12/h2-8,16H,9H2,1H3,(H,18,21)(H,19,22)
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n/an/a 124n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190170
PNG
(CHEMBL3827901)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN4O2/c1-12-20-15-4-2-3-5-16(15)23(12)11-18(25)22-21-17(24)10-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,21,24)(H,22,25)
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n/an/a 131n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190313
PNG
(CHEMBL3828006)
Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(F)cc2)s1
Show InChI InChI=1S/C17H14FN5S/c1-11-19-14-4-2-3-5-15(14)23(11)10-16-21-22-17(24-16)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22)
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n/an/a 134n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190179
PNG
(CHEMBL3828098)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cc2ccccc2[nH]1
Show InChI InChI=1S/C20H19N5O2/c1-13-21-17-8-4-5-9-18(17)25(13)12-20(27)24-23-19(26)11-15-10-14-6-2-3-7-16(14)22-15/h2-10,22H,11-12H2,1H3,(H,23,26)(H,24,27)
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n/an/a 135n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190315
PNG
(CHEMBL3827702)
Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C17H14ClN5S/c1-11-19-14-4-2-3-5-15(14)23(11)10-16-21-22-17(24-16)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22)
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n/an/a 145n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190174
PNG
(CHEMBL3827726)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H17N5O2/c1-12-21-16-8-4-5-9-17(16)24(12)11-18(25)22-23-19(26)14-10-20-15-7-3-2-6-13(14)15/h2-10,20H,11H2,1H3,(H,22,25)(H,23,26)
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n/an/a 148n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190310
PNG
(CHEMBL3827844)
Show SMILES COc1ccc(Nc2nnc(Cn3c(C)nc4ccccc34)s2)cc1
Show InChI InChI=1S/C18H17N5OS/c1-12-19-15-5-3-4-6-16(15)23(12)11-17-21-22-18(25-17)20-13-7-9-14(24-2)10-8-13/h3-10H,11H2,1-2H3,(H,20,22)
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n/an/a 151n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190316
PNG
(CHEMBL3828407)
Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2)s1
Show InChI InChI=1S/C17H15N5S/c1-12-18-14-9-5-6-10-15(14)22(12)11-16-20-21-17(23-16)19-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,21)
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n/an/a 157n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190180
PNG
(CHEMBL3827895)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H20N4O2/c1-15-23-19-11-4-5-12-20(19)26(15)14-22(28)25-24-21(27)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-14H2,1H3,(H,24,27)(H,25,28)
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n/an/a 157n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190312
PNG
(CHEMBL3828350)
Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(Br)cc2)s1
Show InChI InChI=1S/C17H14BrN5S/c1-11-19-14-4-2-3-5-15(14)23(11)10-16-21-22-17(24-16)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22)
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n/an/a 173n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190257
PNG
(CHEMBL3828150)
Show SMILES COc1ccccc1Nc1nnc(Cn2c(C)nc3ccccc23)s1
Show InChI InChI=1S/C18H17N5OS/c1-12-19-13-7-3-5-9-15(13)23(12)11-17-21-22-18(25-17)20-14-8-4-6-10-16(14)24-2/h3-10H,11H2,1-2H3,(H,20,22)
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n/an/a 184n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190169
PNG
(CHEMBL3828114)
Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2Br)s1
Show InChI InChI=1S/C17H14BrN5S/c1-11-19-14-8-4-5-9-15(14)23(11)10-16-21-22-17(24-16)20-13-7-3-2-6-12(13)18/h2-9H,10H2,1H3,(H,20,22)
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n/an/a 190n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190173
PNG
(CHEMBL3828491)
Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H17N5O4/c1-12-19-15-4-2-3-5-16(15)22(12)11-18(25)21-20-17(24)10-13-6-8-14(9-7-13)23(26)27/h2-9H,10-11H2,1H3,(H,20,24)(H,21,25)
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n/an/a 205n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190185
PNG
(CHEMBL3827240)
Show SMILES CCOc1ccc(Nc2nnc(Cn3c(C)nc4ccccc34)s2)cc1
Show InChI InChI=1S/C19H19N5OS/c1-3-25-15-10-8-14(9-11-15)21-19-23-22-18(26-19)12-24-13(2)20-16-6-4-5-7-17(16)24/h4-11H,3,12H2,1-2H3,(H,21,23)
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n/an/a 293n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190172
PNG
(CHEMBL3828571)
Show SMILES COc1ccc(CC(=O)NNC(=O)Cn2c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C19H20N4O3/c1-13-20-16-5-3-4-6-17(16)23(13)12-19(25)22-21-18(24)11-14-7-9-15(26-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25)
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n/an/a 379n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190183
PNG
(CHEMBL3828352)
Show SMILES Cc1nc2ccccc2n1Cc1nnc(NC2CCCCC2)s1
Show InChI InChI=1S/C17H21N5S/c1-12-18-14-9-5-6-10-15(14)22(12)11-16-20-21-17(23-16)19-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,21)
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n/an/a 406n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190181
PNG
(CHEMBL3827724)
Show SMILES COc1ccc(cc1)C(=O)CCC(=O)NNC(=O)Cn1c(C)nc2ccccc12
Show InChI InChI=1S/C21H22N4O4/c1-14-22-17-5-3-4-6-18(17)25(14)13-21(28)24-23-20(27)12-11-19(26)15-7-9-16(29-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,23,27)(H,24,28)
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n/an/a 561n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50190182
PNG
(CHEMBL3828397)
Show SMILES CCCCNc1nnc(Cn2c(C)nc3ccccc23)s1
Show InChI InChI=1S/C15H19N5S/c1-3-4-9-16-15-19-18-14(21-15)10-20-11(2)17-12-7-5-6-8-13(12)20/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
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n/an/a 582n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...


Bioorg Med Chem Lett 26: 4020-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.084
BindingDB Entry DOI: 10.7270/Q2639RP0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%