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PubMed code 12031334

Compile data set for download or QSAR
Found 17 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))
BDBM8552
PNG
(2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...)
Show SMILES Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
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Article
PubMed
n/an/a 390n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8550
PNG
(2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(pyridin-4-...)
Show SMILES Clc1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C14H10ClN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
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n/an/a 820n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8555
PNG
(methyl 3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]...)
Show SMILES COC(=O)c1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C16H13N3O3S/c1-21-15(20)13-4-2-3-11(9-13)10-23-16-19-18-14(22-16)12-5-7-17-8-6-12/h2-9H,10H2,1H3
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n/an/a 1.10E+3n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8541
PNG
(N-[2-(2-fluorophenyl)ethyl]-2-[4-({[5-(pyridin-4-y...)
Show SMILES Fc1ccccc1CCNC(=O)Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C24H21FN4O2S/c25-21-4-2-1-3-19(21)11-14-27-22(30)15-17-5-7-18(8-6-17)16-32-24-29-28-23(31-24)20-9-12-26-13-10-20/h1-10,12-13H,11,14-16H2,(H,27,30)
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n/an/a 1.20E+3n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8554
PNG
(2-{[(3-fluorophenyl)methyl]sulfanyl}-5-(pyridin-4-...)
Show SMILES Fc1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C14H10FN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
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PubMed
n/an/a 1.40E+3n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8548
PNG
(2-(benzylsulfanyl)-5-(pyridin-4-yl)-1,3,4-oxadiazo...)
Show SMILES C(Sc1nnc(o1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C14H11N3OS/c1-2-4-11(5-3-1)10-19-14-17-16-13(18-14)12-6-8-15-9-7-12/h1-9H,10H2
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PubMed
n/an/a 6.70E+3n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8543
PNG
(2-[4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulf...)
Show SMILES OC(=O)Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H13N3O3S/c20-14(21)9-11-1-3-12(4-2-11)10-23-16-19-18-15(22-16)13-5-7-17-8-6-13/h1-8H,9-10H2,(H,20,21)
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n/an/a 8.00E+3n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8542
PNG
(2-[4-({[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]sul...)
Show SMILES OC(=O)Cc1ccc(CSc2nnc(s2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H13N3O2S2/c20-14(21)9-11-1-3-12(4-2-11)10-22-16-19-18-15(23-16)13-5-7-17-8-6-13/h1-8H,9-10H2,(H,20,21)
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n/an/a 1.10E+4n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8551
PNG
(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(pyridin-4-...)
Show SMILES Clc1ccccc1CSc1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C14H10ClN3OS/c15-12-4-2-1-3-11(12)9-20-14-18-17-13(19-14)10-5-7-16-8-6-10/h1-8H,9H2
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PubMed
n/an/a 1.20E+4n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8547
PNG
(4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfany...)
Show SMILES OC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C15H11N3O3S/c19-14(20)12-3-1-10(2-4-12)9-22-15-18-17-13(21-15)11-5-7-16-8-6-11/h1-8H,9H2,(H,19,20)
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PubMed
n/an/a 2.90E+4n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8549
PNG
(2-[(2-phenylethyl)sulfanyl]-5-(pyridin-4-yl)-1,3,4...)
Show SMILES C(Cc1ccccc1)Sc1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C15H13N3OS/c1-2-4-12(5-3-1)8-11-20-15-18-17-14(19-15)13-6-9-16-10-7-13/h1-7,9-10H,8,11H2
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n/an/a 2.90E+4n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8553
PNG
(2-{[(4-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...)
Show SMILES Ic1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
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PubMed
n/an/a 1.98E+5n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8556
PNG
(3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfany...)
Show SMILES OC(=O)c1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C15H11N3O3S/c19-14(20)12-3-1-2-10(8-12)9-22-15-18-17-13(21-15)11-4-6-16-7-5-11/h1-8H,9H2,(H,19,20)
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PubMed
n/an/a 2.35E+5n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8546
PNG
(2-[4-({[5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl]sul...)
Show SMILES OC(=O)Cc1ccc(CSc2nnc(s2)-c2ccccn2)cc1
Show InChI InChI=1S/C16H13N3O2S2/c20-14(21)9-11-4-6-12(7-5-11)10-22-16-19-18-15(23-16)13-3-1-2-8-17-13/h1-8H,9-10H2,(H,20,21)
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n/an/a>2.50E+5n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8557
PNG
(2-({[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methy...)
Show SMILES Cc1nc(no1)-c1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C17H13N5O2S/c1-11-19-15(22-24-11)14-4-2-3-12(9-14)10-25-17-21-20-16(23-17)13-5-7-18-8-6-13/h2-9H,10H2,1H3
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n/an/a>2.50E+5n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8545
PNG
(2-[4-({[5-(pyridin-3-yl)-1,3,4-thiadiazol-2-yl]sul...)
Show SMILES OC(=O)Cc1ccc(CSc2nnc(s2)-c2cccnc2)cc1
Show InChI InChI=1S/C16H13N3O2S2/c20-14(21)8-11-3-5-12(6-4-11)10-22-16-19-18-15(23-16)13-2-1-7-17-9-13/h1-7,9H,8,10H2,(H,20,21)
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n/an/a>2.50E+5n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8544
PNG
(2-[4-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sul...)
Show SMILES OC(=O)Cc1ccc(CSc2nnc([nH]2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H14N4O2S/c21-14(22)9-11-1-3-12(4-2-11)10-23-16-18-15(19-20-16)13-5-7-17-8-6-13/h1-8H,9-10H2,(H,21,22)(H,18,19,20)
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n/an/a>2.50E+5n/an/an/an/a7.022



Novo Nordisk A/S



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Bioorg Med Chem Lett 12: 1525-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00169-5
BindingDB Entry DOI: 10.7270/Q2251GDH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%