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PubMed code 18280153

Compile data set for download or QSAR
Found 9 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))
BDBM50373018
PNG
(CHEMBL404507)
Show SMILES Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4cccs4)cc3)c12)-c1cccnc1
Show InChI InChI=1S/C21H15N5O3S2/c22-20-18-17(19(14-3-1-9-23-11-14)29-21(18)25-12-24-20)13-5-7-15(8-6-13)26-31(27,28)16-4-2-10-30-16/h1-12,26H,(H2,22,24,25)
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50373013
PNG
(CHEMBL258081)
Show SMILES Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12)-c1cccnc1
Show InChI InChI=1S/C23H17N5O3S/c24-22-20-19(21(16-5-4-12-25-13-16)31-23(20)27-14-26-22)15-8-10-17(11-9-15)28-32(29,30)18-6-2-1-3-7-18/h1-14,28H,(H2,24,26,27)
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n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50373014
PNG
(CHEMBL404488)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccnc1
Show InChI InChI=1S/C18H15N5O3S/c1-27(24,25)23-13-6-4-11(5-7-13)14-15-17(19)21-10-22-18(15)26-16(14)12-3-2-8-20-9-12/h2-10,23H,1H3,(H2,19,21,22)
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n/an/a 475n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50373013
PNG
(CHEMBL258081)
Show SMILES Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12)-c1cccnc1
Show InChI InChI=1S/C23H17N5O3S/c24-22-20-19(21(16-5-4-12-25-13-16)31-23(20)27-14-26-22)15-8-10-17(11-9-15)28-32(29,30)18-6-2-1-3-7-18/h1-14,28H,(H2,24,26,27)
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n/an/a 1.12E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50373015
PNG
(CHEMBL258259)
Show SMILES Nc1ncnc2oc(c(-c3ccc(NC(=O)c4cccc(F)c4)cc3)c12)-c1cccnc1
Show InChI InChI=1S/C24H16FN5O2/c25-17-5-1-3-15(11-17)23(31)30-18-8-6-14(7-9-18)19-20-22(26)28-13-29-24(20)32-21(19)16-4-2-10-27-12-16/h1-13H,(H,30,31)(H2,26,28,29)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50373017
PNG
(CHEMBL403238)
Show SMILES CC(=O)Nc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccnc1
Show InChI InChI=1S/C19H15N5O2/c1-11(25)24-14-6-4-12(5-7-14)15-16-18(20)22-10-23-19(16)26-17(15)13-3-2-8-21-9-13/h2-10H,1H3,(H,24,25)(H2,20,22,23)
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n/an/a 1.63E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50373016
PNG
(CHEMBL257090)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H20N4O4S/c1-32-19-13-9-17(10-14-19)23-21(22-24(26)27-15-28-25(22)33-23)16-7-11-18(12-8-16)29-34(30,31)20-5-3-2-4-6-20/h2-15,29H,1H3,(H2,26,27,28)
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n/an/a>1.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM5802
PNG
(5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-ami...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C20H17N3O3/c1-24-14-7-3-12(4-8-14)16-17-19(21)22-11-23-20(17)26-18(16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H2,21,22,23)
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n/an/a>1.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Rattus norvegicus (rat))
BDBM50373013
PNG
(CHEMBL258081)
Show SMILES Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12)-c1cccnc1
Show InChI InChI=1S/C23H17N5O3S/c24-22-20-19(21(16-5-4-12-25-13-16)31-23(20)27-14-26-22)15-8-10-17(11-9-15)28-32(29,30)18-6-2-1-3-7-18/h1-14,28H,(H2,24,26,27)
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n/an/an/an/a 3.20E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat GSK3-beta in L6 cells assessed as accumulation of glycogen


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%