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PubMed code 23354070

Compile data set for download or QSAR
Found 18 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))		BDBM50426172
PNG
(CHEMBL483841 | Ircinin 1)
Show SMILES C[C@H](CCC\C(C)=C\CCc1coc(Cc2ccoc2)c1)C=C1OC(=O)C(C)C1=O |r,w:22.24|
Show InChI InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h7,10-13,15-16,18-19H,4-6,8-9,14H2,1-3H3/b17-7+,23-12?/t18-,19?/m1/s1
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n/an/a 794n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50426172
PNG
(CHEMBL483841 | Ircinin 1)
Show SMILES C[C@H](CCC\C(C)=C\CCc1coc(Cc2ccoc2)c1)C=C1OC(=O)C(C)C1=O |r,w:22.24|
Show InChI InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h7,10-13,15-16,18-19H,4-6,8-9,14H2,1-3H3/b17-7+,23-12?/t18-,19?/m1/s1
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n/an/a 794n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM50401965
PNG
(PALINURIN)
Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3alpha using GS2 peptide as substrate and [gamma33P]-ATP after 12 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM50401965
PNG
(PALINURIN)
Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3alpha using GS2 peptide as substrate and [gamma33P]-ATP after 12 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50401965
PNG
(PALINURIN)
Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50401965
PNG
(PALINURIN)
Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50426171
PNG
(CHEMBL483842 | Ircinin 2)
Show SMILES C[C@H](CC\C=C(\C)CCCc1coc(Cc2ccoc2)c1)C=C1OC(=O)C(C)C1=O |r,w:22.24|
Show InChI InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h6,10-13,15-16,18-19H,4-5,7-9,14H2,1-3H3/b17-6-,23-12?/t18-,19?/m1/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50426171
PNG
(CHEMBL483842 | Ircinin 2)
Show SMILES C[C@H](CC\C=C(\C)CCCc1coc(Cc2ccoc2)c1)C=C1OC(=O)C(C)C1=O |r,w:22.24|
Show InChI InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h6,10-13,15-16,18-19H,4-5,7-9,14H2,1-3H3/b17-6-,23-12?/t18-,19?/m1/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50426173
PNG
(CHEMBL219346)
Show SMILES CCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)C1=O
Show InChI InChI=1S/C20H34O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(22)26-14-15(21)19-17(23)18(24)20(25)27-19/h15,18-19,21,24H,2-14H2,1H3/t15-,18?,19+/m0/s1
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n/an/a 5.75E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50426173
PNG
(CHEMBL219346)
Show SMILES CCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)C1=O
Show InChI InChI=1S/C20H34O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(22)26-14-15(21)19-17(23)18(24)20(25)27-19/h15,18-19,21,24H,2-14H2,1H3/t15-,18?,19+/m0/s1
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n/an/a 5.75E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50426174
PNG
(CHEMBL218301)
Show SMILES CCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)C1=O
Show InChI InChI=1S/C16H26O7/c1-2-3-4-5-6-7-8-9-12(18)22-10-11(17)15-13(19)14(20)16(21)23-15/h11,14-15,17,20H,2-10H2,1H3/t11-,14?,15+/m0/s1
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n/an/a 6.17E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50426174
PNG
(CHEMBL218301)
Show SMILES CCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)C1=O
Show InChI InChI=1S/C16H26O7/c1-2-3-4-5-6-7-8-9-12(18)22-10-11(17)15-13(19)14(20)16(21)23-15/h11,14-15,17,20H,2-10H2,1H3/t11-,14?,15+/m0/s1
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n/an/a 6.17E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50401965
PNG
(PALINURIN)
Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1
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n/an/a<2.51E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5 using histone H1 as substrate and [gamma33P]-ATP after 20 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50401965
PNG
(PALINURIN)
Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1
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n/an/a<2.51E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5 using histone H1 as substrate and [gamma33P]-ATP after 20 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50426175
PNG
(CHEMBL218931)
Show SMILES CCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)C1=O
Show InChI InChI=1S/C14H22O7/c1-2-3-4-5-6-7-10(16)20-8-9(15)13-11(17)12(18)14(19)21-13/h9,12-13,15,18H,2-8H2,1H3/t9-,12?,13+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50426175
PNG
(CHEMBL218931)
Show SMILES CCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)C1=O
Show InChI InChI=1S/C14H22O7/c1-2-3-4-5-6-7-10(16)20-8-9(15)13-11(17)12(18)14(19)21-13/h9,12-13,15,18H,2-8H2,1H3/t9-,12?,13+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50401965
PNG
(PALINURIN)
Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1
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n/an/a<1.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK1 using histone H1 as substrate and [gamma33P]-ATP after 15 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50401965
PNG
(PALINURIN)
Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1
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n/an/a<1.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK1 using histone H1 as substrate and [gamma33P]-ATP after 15 mins by scintillation counting

Eur J Med Chem 60: 479-89 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.014
BindingDB Entry DOI: 10.7270/Q2R78GJV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%