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PubMed code 26057861

Compile data set for download or QSAR
Found 10 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))
BDBM152554
PNG
(7,8-dimethoxy-5-((1-(4-nitrophenylsulfonyl)piperid...)
Show SMILES COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c2cc1OC
Show InChI InChI=1S/C26H26N4O8S/c1-37-22-12-19-15(11-21-24(26(32)28-25(21)31)20(19)13-23(22)38-2)14-27-16-7-9-29(10-8-16)39(35,36)18-5-3-17(4-6-18)30(33)34/h3-6,11-13,16,27H,7-10,14H2,1-2H3,(H,28,31,32)
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PubMed
n/an/a 310n/an/an/an/a7.4n/a



Peking University



Assay Description
Briefly, recombinant human GSK3β (1 然, 10 無) was mixed with 10 無 of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 然), 19 無 of 2.5 ...


Bioorg Chem 61: 21-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.009
BindingDB Entry DOI: 10.7270/Q2N878HZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM152555
PNG
(7,8-dimethoxy-5-((1-(methylsulfonyl)piperidin-4-yl...)
Show SMILES COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(C)(=O)=O)c2cc1OC
Show InChI InChI=1S/C21H25N3O6S/c1-29-17-9-14-12(11-22-13-4-6-24(7-5-13)31(3,27)28)8-16-19(21(26)23-20(16)25)15(14)10-18(17)30-2/h8-10,13,22H,4-7,11H2,1-3H3,(H,23,25,26)
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PubMed
n/an/a 360n/an/an/an/a7.4n/a



Peking University



Assay Description
Briefly, recombinant human GSK3β (1 然, 10 無) was mixed with 10 無 of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 然), 19 無 of 2.5 ...


Bioorg Chem 61: 21-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.009
BindingDB Entry DOI: 10.7270/Q2N878HZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM152556
PNG
(7,8-dimethoxy-5-((1-(4-(trifluoromethyl)phenylsulf...)
Show SMILES COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3ccc(cc3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C27H26F3N3O6S/c1-38-22-12-19-15(11-21-24(26(35)32-25(21)34)20(19)13-23(22)39-2)14-31-17-7-9-33(10-8-17)40(36,37)18-5-3-16(4-6-18)27(28,29)30/h3-6,11-13,17,31H,7-10,14H2,1-2H3,(H,32,34,35)
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PubMed
n/an/a 530n/an/an/an/a7.4n/a



Peking University



Assay Description
Briefly, recombinant human GSK3β (1 然, 10 無) was mixed with 10 無 of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 然), 19 無 of 2.5 ...


Bioorg Chem 61: 21-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.009
BindingDB Entry DOI: 10.7270/Q2N878HZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM152557
PNG
(7,8-dimethoxy-5-((1-(2-nitrophenylsulfonyl)piperid...)
Show SMILES COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3ccccc3[N+]([O-])=O)c2cc1OC
Show InChI InChI=1S/C26H26N4O8S/c1-37-21-12-17-15(11-19-24(26(32)28-25(19)31)18(17)13-22(21)38-2)14-27-16-7-9-29(10-8-16)39(35,36)23-6-4-3-5-20(23)30(33)34/h3-6,11-13,16,27H,7-10,14H2,1-2H3,(H,28,31,32)
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PubMed
n/an/a 530n/an/an/an/a7.4n/a



Peking University



Assay Description
Briefly, recombinant human GSK3β (1 然, 10 無) was mixed with 10 無 of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 然), 19 無 of 2.5 ...


Bioorg Chem 61: 21-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.009
BindingDB Entry DOI: 10.7270/Q2N878HZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM152560
PNG
(7,8-dimethoxy-5-((1-(thiophen-2-ylsulfonyl)piperid...)
Show SMILES COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3cccs3)c2cc1OC
Show InChI InChI=1S/C24H25N3O6S2/c1-32-19-11-16-14(10-18-22(24(29)26-23(18)28)17(16)12-20(19)33-2)13-25-15-5-7-27(8-6-15)35(30,31)21-4-3-9-34-21/h3-4,9-12,15,25H,5-8,13H2,1-2H3,(H,26,28,29)
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PubMed
n/an/a 540n/an/an/an/a7.4n/a



Peking University



Assay Description
Briefly, recombinant human GSK3β (1 然, 10 無) was mixed with 10 無 of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 然), 19 無 of 2.5 ...


Bioorg Chem 61: 21-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.009
BindingDB Entry DOI: 10.7270/Q2N878HZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50300205
PNG
(7,8-Dimethoxy-5-methyl-1H-benzo[e]isoindole-1,3(2H...)
Show SMILES COc1cc2c3C(=O)NC(=O)c3cc(C)c2cc1OC
Show InChI InChI=1S/C15H13NO4/c1-7-4-10-13(15(18)16-14(10)17)9-6-12(20-3)11(19-2)5-8(7)9/h4-6H,1-3H3,(H,16,17,18)
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Article
PubMed
n/an/a 1.01E+3n/an/an/an/a7.4n/a



Peking University



Assay Description
Briefly, recombinant human GSK3β (1 然, 10 無) was mixed with 10 無 of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 然), 19 無 of 2.5 ...


Bioorg Chem 61: 21-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.009
BindingDB Entry DOI: 10.7270/Q2N878HZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM152558
PNG
(7,8-dimethoxy-5-((1-(phenylsulfonyl)piperidin-4-yl...)
Show SMILES COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3ccccc3)c2cc1OC
Show InChI InChI=1S/C26H27N3O6S/c1-34-22-13-19-16(12-21-24(26(31)28-25(21)30)20(19)14-23(22)35-2)15-27-17-8-10-29(11-9-17)36(32,33)18-6-4-3-5-7-18/h3-7,12-14,17,27H,8-11,15H2,1-2H3,(H,28,30,31)
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PubMed
n/an/a 1.03E+3n/an/an/an/a7.4n/a



Peking University



Assay Description
Briefly, recombinant human GSK3β (1 然, 10 無) was mixed with 10 無 of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 然), 19 無 of 2.5 ...


Bioorg Chem 61: 21-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.009
BindingDB Entry DOI: 10.7270/Q2N878HZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM152559
PNG
(7,8-dimethoxy-5-((1-(quinolin-8-ylsulfonyl)piperid...)
Show SMILES COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3cccc4cccnc34)c2cc1OC
Show InChI InChI=1S/C29H28N4O6S/c1-38-23-14-20-18(13-22-26(29(35)32-28(22)34)21(20)15-24(23)39-2)16-31-19-8-11-33(12-9-19)40(36,37)25-7-3-5-17-6-4-10-30-27(17)25/h3-7,10,13-15,19,31H,8-9,11-12,16H2,1-2H3,(H,32,34,35)
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PubMed
n/an/a 1.53E+3n/an/an/an/a7.4n/a



Peking University



Assay Description
Briefly, recombinant human GSK3β (1 然, 10 無) was mixed with 10 無 of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 然), 19 無 of 2.5 ...


Bioorg Chem 61: 21-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.009
BindingDB Entry DOI: 10.7270/Q2N878HZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM152553
PNG
(7,8-dimethoxy-5-((1-(4-methoxyphenylsulfonyl)piper...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NCc1cc2C(=O)NC(=O)c2c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H29N3O7S/c1-35-18-4-6-19(7-5-18)38(33,34)30-10-8-17(9-11-30)28-15-16-12-22-25(27(32)29-26(22)31)21-14-24(37-3)23(36-2)13-20(16)21/h4-7,12-14,17,28H,8-11,15H2,1-3H3,(H,29,31,32)
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n/an/a 2.61E+3n/an/an/an/a7.4n/a



Peking University



Assay Description
Briefly, recombinant human GSK3β (1 然, 10 無) was mixed with 10 無 of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 然), 19 無 of 2.5 ...


Bioorg Chem 61: 21-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.009
BindingDB Entry DOI: 10.7270/Q2N878HZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM152552
PNG
(7,8-dimethoxy-5-({[1-(4-methylbenzenesulfonyl)pipe...)
Show SMILES COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3ccc(C)cc3)c2cc1OC
Show InChI InChI=1S/C27H29N3O6S/c1-16-4-6-19(7-5-16)37(33,34)30-10-8-18(9-11-30)28-15-17-12-22-25(27(32)29-26(22)31)21-14-24(36-3)23(35-2)13-20(17)21/h4-7,12-14,18,28H,8-11,15H2,1-3H3,(H,29,31,32)
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n/an/a 3.73E+3n/an/an/an/a7.4n/a



Peking University



Assay Description
Briefly, recombinant human GSK3β (1 然, 10 無) was mixed with 10 無 of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 然), 19 無 of 2.5 ...


Bioorg Chem 61: 21-7 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.009
BindingDB Entry DOI: 10.7270/Q2N878HZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%