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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'reyes' and Initial = 'ja'   
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))		BDBM294083
PNG
(6-Bromo-N′-dodecanoyl-1-ethyl-4-hydroxy-2-ox...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(CC)c1=O
Show InChI InChI=1S/C24H34BrN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-16-17(25)14-15-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)
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n/an/a 2.01E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294083
PNG
(6-Bromo-N′-dodecanoyl-1-ethyl-4-hydroxy-2-ox...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(CC)c1=O
Show InChI InChI=1S/C24H34BrN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-16-17(25)14-15-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)
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n/an/a 2.01E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294083
PNG
(6-Bromo-N′-dodecanoyl-1-ethyl-4-hydroxy-2-ox...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(CC)c1=O
Show InChI InChI=1S/C24H34BrN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-16-17(25)14-15-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)
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n/an/a 2.01E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294091
PNG
(7-Chloro-N′-dodecanoyl-1-ethyl-4-hydroxy-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O
Show InChI InChI=1S/C24H34ClN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-15-14-17(25)16-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)
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n/an/a 2.48E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294091
PNG
(7-Chloro-N′-dodecanoyl-1-ethyl-4-hydroxy-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O
Show InChI InChI=1S/C24H34ClN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-15-14-17(25)16-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)
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n/an/a 2.48E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294091
PNG
(7-Chloro-N′-dodecanoyl-1-ethyl-4-hydroxy-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O
Show InChI InChI=1S/C24H34ClN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-15-14-17(25)16-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)
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n/an/a 2.48E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50384798
PNG
(CHEMBL2037482 | US9585879, 6 | US9757369, 6)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O
Show InChI InChI=1S/C24H35N3O4/c1-3-5-6-7-8-9-10-11-12-17-20(28)25-26-23(30)21-22(29)18-15-13-14-16-19(18)27(4-2)24(21)31/h13-16,29H,3-12,17H2,1-2H3,(H,25,28)(H,26,30)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50384798
PNG
(CHEMBL2037482 | US9585879, 6 | US9757369, 6)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O
Show InChI InChI=1S/C24H35N3O4/c1-3-5-6-7-8-9-10-11-12-17-20(28)25-26-23(30)21-22(29)18-15-13-14-16-19(18)27(4-2)24(21)31/h13-16,29H,3-12,17H2,1-2H3,(H,25,28)(H,26,30)
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n/an/a 2.85E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50384798
PNG
(CHEMBL2037482 | US9585879, 6 | US9757369, 6)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O
Show InChI InChI=1S/C24H35N3O4/c1-3-5-6-7-8-9-10-11-12-17-20(28)25-26-23(30)21-22(29)18-15-13-14-16-19(18)27(4-2)24(21)31/h13-16,29H,3-12,17H2,1-2H3,(H,25,28)(H,26,30)
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n/an/a 2.85E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294072
PNG
(7-Chloro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...)
Show SMILES CCCCCCCCCCC(=O)NNC(=O)c1c(O)c2c(Cl)cccc2nc1=O
Show InChI InChI=1S/C21H27ClN3O4/c1-2-3-4-5-6-7-8-9-13-16(26)24-25-21(29)18-19(27)17-14(22)11-10-12-15(17)23-20(18)28/h10-12,27H,2-9,13H2,1H3,(H,24,26)(H,25,29)
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n/an/a 3.12E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM339879
PNG
(7-Chloro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C22H30ClN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-13-12-15(23)14-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)
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n/an/a 3.12E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM339879
PNG
(7-Chloro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C22H30ClN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-13-12-15(23)14-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)
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n/an/a 3.12E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294087
PNG
(6-Chloro-N′-dodecanoyl-1-ethyl-4-hydroxy-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2n(CC)c1=O
Show InChI InChI=1S/C24H34ClN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-16-17(25)14-15-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)
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n/an/a 3.18E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294087
PNG
(6-Chloro-N′-dodecanoyl-1-ethyl-4-hydroxy-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2n(CC)c1=O
Show InChI InChI=1S/C24H34ClN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-16-17(25)14-15-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)
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Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294087
PNG
(6-Chloro-N′-dodecanoyl-1-ethyl-4-hydroxy-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2n(CC)c1=O
Show InChI InChI=1S/C24H34ClN3O4/c1-3-5-6-7-8-9-10-11-12-13-20(29)26-27-23(31)21-22(30)18-16-17(25)14-15-19(18)28(4-2)24(21)32/h14-16,30H,3-13H2,1-2H3,(H,26,29)(H,27,31)
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Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294078
PNG
(6-Bromo-N′-dodecanoyl-4-hydroxy-2-oxo-2-hydr...)
Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2nc1=O
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n/an/a 3.54E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM339885
PNG
(6-Bromo-N′-dodecanoyl-4-hydroxy-2-oxo-2-hydr...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2[nH]c1=O
Show InChI InChI=1S/C22H30BrN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)
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n/an/a 3.54E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM339885
PNG
(6-Bromo-N′-dodecanoyl-4-hydroxy-2-oxo-2-hydr...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2[nH]c1=O
Show InChI InChI=1S/C22H30BrN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)
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n/an/a 3.54E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294079
PNG
(6-Chloro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...)
Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2nc1=O
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n/an/a 3.81E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM339886
PNG
(6-Chloro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C22H30ClN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)
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n/an/a 3.81E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM339886
PNG
(6-Chloro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C22H30ClN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)
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Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294089
PNG
(7-Chloro-N′-dodecanoyl-4-hydroxy-1-methyl-2-...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(C)c1=O
Show InChI InChI=1S/C23H32ClN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-14-13-16(24)15-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)
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n/an/a 4.03E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294089
PNG
(7-Chloro-N′-dodecanoyl-4-hydroxy-1-methyl-2-...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(C)c1=O
Show InChI InChI=1S/C23H32ClN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-14-13-16(24)15-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)
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n/an/a 4.03E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294089
PNG
(7-Chloro-N′-dodecanoyl-4-hydroxy-1-methyl-2-...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(C)c1=O
Show InChI InChI=1S/C23H32ClN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-14-13-16(24)15-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)
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Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294081
PNG
(6-Bromo-N′-dodecanoyl-4-hydroxy-1-methyl-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(C)c1=O
Show InChI InChI=1S/C23H32BrN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-15-16(24)13-14-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)
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n/an/a 4.28E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294081
PNG
(6-Bromo-N′-dodecanoyl-4-hydroxy-1-methyl-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(C)c1=O
Show InChI InChI=1S/C23H32BrN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-15-16(24)13-14-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)
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n/an/a 4.28E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294081
PNG
(6-Bromo-N′-dodecanoyl-4-hydroxy-1-methyl-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(C)c1=O
Show InChI InChI=1S/C23H32BrN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-15-16(24)13-14-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)
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Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Displacement of [125 I] CCK-8 from Cholecystokinin type B receptor of guinea pig cerebral cortex

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM339875
PNG
(N′-Dodecanoyl-4-hydroxy-1-methyl-2-oxo-1,2-d...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O
Show InChI InChI=1S/C23H33N3O4/c1-3-4-5-6-7-8-9-10-11-16-19(27)24-25-22(29)20-21(28)17-14-12-13-15-18(17)26(2)23(20)30/h12-15,28H,3-11,16H2,1-2H3,(H,24,27)(H,25,29)
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n/an/a 4.47E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294070
PNG
(N′-Dodecanoyl-4-hydroxy-2-oxo-2-hydroquinoli...)
Show SMILES CCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O
Show InChI InChI=1S/C25H37N3O4/c1-3-5-6-7-8-9-10-11-12-13-18-21(29)26-27-24(31)22-23(30)19-16-14-15-17-20(19)28(4-2)25(22)32/h14-17,30H,3-13,18H2,1-2H3,(H,26,29)(H,27,31)
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n/an/a 4.47E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50239770
PNG
(CHEMBL4082305)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H31N3O4/c1-2-3-4-5-6-7-8-9-10-15-18(26)24-25-22(29)19-20(27)16-13-11-12-14-17(16)23-21(19)28/h11-14H,2-10,15H2,1H3,(H,24,26)(H,25,29)(H2,23,27,28)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294090
PNG
(7-Chloro-1-ethyl-4-hydroxy-N′-octanoyl-2-oxo...)
Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O
Show InChI InChI=1S/C20H26ClN3O4/c1-3-5-6-7-8-9-16(25)22-23-19(27)17-18(26)14-11-10-13(21)12-15(14)24(4-2)20(17)28/h10-12,26H,3-9H2,1-2H3,(H,22,25)(H,23,27)
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n/an/a 4.83E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294090
PNG
(7-Chloro-1-ethyl-4-hydroxy-N′-octanoyl-2-oxo...)
Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O
Show InChI InChI=1S/C20H26ClN3O4/c1-3-5-6-7-8-9-16(25)22-23-19(27)17-18(26)14-11-10-13(21)12-15(14)24(4-2)20(17)28/h10-12,26H,3-9H2,1-2H3,(H,22,25)(H,23,27)
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Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294090
PNG
(7-Chloro-1-ethyl-4-hydroxy-N′-octanoyl-2-oxo...)
Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(CC)c1=O
Show InChI InChI=1S/C20H26ClN3O4/c1-3-5-6-7-8-9-16(25)22-23-19(27)17-18(26)14-11-10-13(21)12-15(14)24(4-2)20(17)28/h10-12,26H,3-9H2,1-2H3,(H,22,25)(H,23,27)
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Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294076
PNG
(1-(cyclopropylmethyl)-N′-dodecanoyl-4-hydrox...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC2CC2)c1=O
Show InChI InChI=1S/C26H37N3O4/c1-2-3-4-5-6-7-8-9-10-15-22(30)27-28-25(32)23-24(31)20-13-11-12-14-21(20)29(26(23)33)18-19-16-17-19/h11-14,19,31H,2-10,15-18H2,1H3,(H,27,30)(H,28,32)
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n/an/a 5.25E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294076
PNG
(1-(cyclopropylmethyl)-N′-dodecanoyl-4-hydrox...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC2CC2)c1=O
Show InChI InChI=1S/C26H37N3O4/c1-2-3-4-5-6-7-8-9-10-15-22(30)27-28-25(32)23-24(31)20-13-11-12-14-21(20)29(26(23)33)18-19-16-17-19/h11-14,19,31H,2-10,15-18H2,1H3,(H,27,30)(H,28,32)
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n/an/a 5.25E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294076
PNG
(1-(cyclopropylmethyl)-N′-dodecanoyl-4-hydrox...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC2CC2)c1=O
Show InChI InChI=1S/C26H37N3O4/c1-2-3-4-5-6-7-8-9-10-15-22(30)27-28-25(32)23-24(31)20-13-11-12-14-21(20)29(26(23)33)18-19-16-17-19/h11-14,19,31H,2-10,15-18H2,1H3,(H,27,30)(H,28,32)
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Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294077
PNG
(1-Benzyl-N′-dodecanoyl-4-hydroxy-2-oxo-1,2-d...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C29H37N3O4/c1-2-3-4-5-6-7-8-9-13-20-25(33)30-31-28(35)26-27(34)23-18-14-15-19-24(23)32(29(26)36)21-22-16-11-10-12-17-22/h10-12,14-19,34H,2-9,13,20-21H2,1H3,(H,30,33)(H,31,35)
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n/an/a 5.51E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294077
PNG
(1-Benzyl-N′-dodecanoyl-4-hydroxy-2-oxo-1,2-d...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C29H37N3O4/c1-2-3-4-5-6-7-8-9-13-20-25(33)30-31-28(35)26-27(34)23-18-14-15-19-24(23)32(29(26)36)21-22-16-11-10-12-17-22/h10-12,14-19,34H,2-9,13,20-21H2,1H3,(H,30,33)(H,31,35)
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n/an/a 5.51E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294077
PNG
(1-Benzyl-N′-dodecanoyl-4-hydroxy-2-oxo-1,2-d...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C29H37N3O4/c1-2-3-4-5-6-7-8-9-13-20-25(33)30-31-28(35)26-27(34)23-18-14-15-19-24(23)32(29(26)36)21-22-16-11-10-12-17-22/h10-12,14-19,34H,2-9,13,20-21H2,1H3,(H,30,33)(H,31,35)
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n/an/a 5.51E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM339880
PNG
(6-Fluoro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C22H30FN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294073
PNG
(6-Fluoro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...)
Show SMILES CCCCCCCCCCC(=O)NNC(=O)c1c(O)c2c(F)cccc2nc1=O
Show InChI InChI=1S/C21H27FN3O4/c1-2-3-4-5-6-7-8-9-13-16(26)24-25-21(29)18-19(27)17-14(22)11-10-12-15(17)23-20(18)28/h10-12,27H,2-9,13H2,1H3,(H,24,26)(H,25,29)
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n/an/a 5.81E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM339880
PNG
(6-Fluoro-N′-dodecanoyl-4-hydroxy-2-oxo-2-hyd...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C22H30FN3O4/c1-2-3-4-5-6-7-8-9-10-11-18(27)25-26-22(30)19-20(28)16-14-15(23)12-13-17(16)24-21(19)29/h12-14H,2-11H2,1H3,(H,25,27)(H,26,30)(H2,24,28,29)
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n/an/a 5.81E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294085
PNG
(6-Chloro-N′-dodecanoyl-4-hydroxy-1-methyl-2-...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2n(C)c1=O
Show InChI InChI=1S/C23H32ClN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-15-16(24)13-14-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)
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n/an/a 5.95E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294085
PNG
(6-Chloro-N′-dodecanoyl-4-hydroxy-1-methyl-2-...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2n(C)c1=O
Show InChI InChI=1S/C23H32ClN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-15-16(24)13-14-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)
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n/an/a 5.95E+3n/an/an/an/an/an/a



Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294085
PNG
(6-Chloro-N′-dodecanoyl-4-hydroxy-1-methyl-2-...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2n(C)c1=O
Show InChI InChI=1S/C23H32ClN3O4/c1-3-4-5-6-7-8-9-10-11-12-19(28)25-26-22(30)20-21(29)17-15-16(24)13-14-18(17)27(2)23(20)31/h13-15,29H,3-12H2,1-2H3,(H,25,28)(H,26,30)
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n/an/a 5.95E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294092
PNG
(1-Benzyl-7-chloro-4-hydroxy-N′-octanoyl-2-ox...)
Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C25H28ClN3O4/c1-2-3-4-5-9-12-21(30)27-28-24(32)22-23(31)19-14-13-18(26)15-20(19)29(25(22)33)16-17-10-7-6-8-11-17/h6-8,10-11,13-15,31H,2-5,9,12,16H2,1H3,(H,27,30)(H,28,32)
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n/an/a 5.96E+3n/an/an/an/an/a30



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306...

US Patent US9585879 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FQR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294092
PNG
(1-Benzyl-7-chloro-4-hydroxy-N′-octanoyl-2-ox...)
Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C25H28ClN3O4/c1-2-3-4-5-9-12-21(30)27-28-24(32)22-23(31)19-14-13-18(26)15-20(19)29(25(22)33)16-17-10-7-6-8-11-17/h6-8,10-11,13-15,31H,2-5,9,12,16H2,1H3,(H,27,30)(H,28,32)
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n/an/a 5.96E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294092
PNG
(1-Benzyl-7-chloro-4-hydroxy-N′-octanoyl-2-ox...)
Show SMILES CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C25H28ClN3O4/c1-2-3-4-5-9-12-21(30)27-28-24(32)22-23(31)19-14-13-18(26)15-20(19)29(25(22)33)16-17-10-7-6-8-11-17/h6-8,10-11,13-15,31H,2-5,9,12,16H2,1H3,(H,27,30)(H,28,32)
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Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294093
PNG
(1-Benzyl-7-chloro-N′dodecanoyl-4-hydroxy-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C29H36ClN3O4/c1-2-3-4-5-6-7-8-9-13-16-25(34)31-32-28(36)26-27(35)23-18-17-22(30)19-24(23)33(29(26)37)20-21-14-11-10-12-15-21/h10-12,14-15,17-19,35H,2-9,13,16,20H2,1H3,(H,31,34)(H,32,36)
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n/an/a 5.99E+3n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas (CSIC)

US Patent


Assay Description
The enzyme inhibition assays were performed using the luminometric methodology of Kinase-GloŽ. The recombinant human GSK3 enzyme (catalogue no. 14-30...

US Patent US9757369 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H5Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM294093
PNG
(1-Benzyl-7-chloro-N′dodecanoyl-4-hydroxy-2-o...)
Show SMILES CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C29H36ClN3O4/c1-2-3-4-5-6-7-8-9-13-16-25(34)31-32-28(36)26-27(35)23-18-17-22(30)19-24(23)33(29(26)37)20-21-14-11-10-12-15-21/h10-12,14-15,17-19,35H,2-9,13,16,20H2,1H3,(H,31,34)(H,32,36)
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Centro de Investigaciones Biol�gicas-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.

Curated by ChEMBL


Assay Description
Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence o...

J Med Chem 60: 4983-5001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00395
BindingDB Entry DOI: 10.7270/Q2NC63B9
More data for this
Ligand-Target Pair
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