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PubMed code 22257026

Compile data set for download or QSAR
Found 31 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))
BDBM50382610
PNG
(CHEMBL2022413)
Show SMILES OCC\N=c1/nc(-c2ccccc2)n(s1)-c1cccc2ccccc12
Show InChI InChI=1S/C20H17N3OS/c24-14-13-21-20-22-19(16-8-2-1-3-9-16)23(25-20)18-12-6-10-15-7-4-5-11-17(15)18/h1-12,24H,13-14H2/b21-20+
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n/an/a 300n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382604
PNG
(CHEMBL2022420 | CHEMBL2024373)
Show SMILES CCCCC\N=c1/nc(-c2ccc(OC)cc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C20H23N3OS/c1-3-4-8-15-21-20-22-19(16-11-13-18(24-2)14-12-16)23(25-20)17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,15H2,1-2H3/b21-20+
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n/an/a 300n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382608
PNG
(CHEMBL2022415)
Show SMILES OCC\N=c1/nc(-c2cccc3ccccc23)n(s1)-c1ccccc1
Show InChI InChI=1S/C20H17N3OS/c24-14-13-21-20-22-19(23(25-20)16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12,24H,13-14H2/b21-20+
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n/an/a 300n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382615
PNG
(CHEMBL2024372)
Show SMILES CCOC(=O)C\N=c1/nc(-c2ccc(OC)cc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C19H19N3O3S/c1-3-25-17(23)13-20-19-21-18(14-9-11-16(24-2)12-10-14)22(26-19)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b20-19+
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n/an/a 500n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382619
PNG
(CHEMBL2022416)
Show SMILES Cc1n\c(=N/Cc2cccnc2)sn1-c1ccccc1
Show InChI InChI=1S/C15H14N4S/c1-12-18-15(17-11-13-6-5-9-16-10-13)20-19(12)14-7-3-2-4-8-14/h2-10H,11H2,1H3/b17-15+
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n/an/a 600n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382606
PNG
(CHEMBL2022418 | CHEMBL2024361)
Show SMILES OCC\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C16H15N3OS/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14/h1-10,20H,11-12H2/b17-16+
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n/an/a 600n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382627
PNG
(CHEMBL2024362)
Show SMILES N=c1nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C14H11N3S/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12/h1-10,15H
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n/an/a 600n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382607
PNG
(CHEMBL2022417)
Show SMILES CCCCCc1n\c(=N/Cc2cccnc2)sn1-c1ccccc1
Show InChI InChI=1S/C19H22N4S/c1-2-3-5-12-18-22-19(21-15-16-9-8-13-20-14-16)24-23(18)17-10-6-4-7-11-17/h4,6-11,13-14H,2-3,5,12,15H2,1H3/b21-19+
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n/an/a 800n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382625
PNG
(CHEMBL558982)
Show SMILES c1ccc(cc1)\N=c1\nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C20H15N3S/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18/h1-15H/b21-20-
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n/an/a 900n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382605
PNG
(CHEMBL2022414 | CHEMBL2022419)
Show SMILES C(\N=c1/nc(-c2cccc3ccccc23)n(s1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H18N4S/c1-2-11-20(12-3-1)28-23(22-14-6-10-19-9-4-5-13-21(19)22)27-24(29-28)26-17-18-8-7-15-25-16-18/h1-16H,17H2/b26-24+
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n/an/a 900n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382603
PNG
(CHEMBL2022421)
Show SMILES C(CN1CCOCC1)\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C20H22N4OS/c1-3-7-17(8-4-1)19-22-20(21-11-12-23-13-15-25-16-14-23)26-24(19)18-9-5-2-6-10-18/h1-10H,11-16H2/b21-20+
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n/an/a 900n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382620
PNG
(CHEMBL2024368)
Show SMILES CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H16N4O4S/c1-2-26-16(23)12-19-18-20-17(13-6-4-3-5-7-13)21(27-18)14-8-10-15(11-9-14)22(24)25/h3-11H,2,12H2,1H3/b19-18+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382621
PNG
(CHEMBL2024367)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1s\c(=N\Cc2cccnc2)nc1-c1ccccc1
Show InChI InChI=1S/C20H15N5O2S/c26-25(27)18-10-8-17(9-11-18)24-19(16-6-2-1-3-7-16)23-20(28-24)22-14-15-5-4-12-21-13-15/h1-13H,14H2/b22-20+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382600
PNG
(CHEMBL2022423)
Show SMILES C(\N=c1/nc(-c2ccccc2)n(Cc2ccccc2)s1)c1cccnc1
Show InChI InChI=1S/C21H18N4S/c1-3-8-17(9-4-1)16-25-20(19-11-5-2-6-12-19)24-21(26-25)23-15-18-10-7-13-22-14-18/h1-14H,15-16H2/b23-21+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382604
PNG
(CHEMBL2022420 | CHEMBL2024373)
Show SMILES CCCCC\N=c1/nc(-c2ccc(OC)cc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C20H23N3OS/c1-3-4-8-15-21-20-22-19(16-11-13-18(24-2)14-12-16)23(25-20)17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,15H2,1-2H3/b21-20+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382613
PNG
(CHEMBL2024374)
Show SMILES COc1ccc(cc1)-c1n\c(=N/c2ccccc2)sn1-c1ccccc1
Show InChI InChI=1S/C21H17N3OS/c1-25-19-14-12-16(13-15-19)20-23-21(22-17-8-4-2-5-9-17)26-24(20)18-10-6-3-7-11-18/h2-15H,1H3/b22-21+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382616
PNG
(CHEMBL2024371)
Show SMILES COc1ccc(cc1)-c1n\c(=N/CCO)sn1-c1ccccc1
Show InChI InChI=1S/C17H17N3O2S/c1-22-15-9-7-13(8-10-15)16-19-17(18-11-12-21)23-20(16)14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3/b18-17+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382617
PNG
(CHEMBL2024370)
Show SMILES COc1ccc(cc1)-c1n\c(=N/Cc2cccnc2)sn1-c1ccccc1
Show InChI InChI=1S/C21H18N4OS/c1-26-19-11-9-17(10-12-19)20-24-21(23-15-16-6-5-13-22-14-16)27-25(20)18-7-3-2-4-8-18/h2-14H,15H2,1H3/b23-21+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382630
PNG
(CHEMBL2024359)
Show SMILES C(\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C20H16N4S/c1-3-9-17(10-4-1)19-23-20(22-15-16-8-7-13-21-14-16)25-24(19)18-11-5-2-6-12-18/h1-14H,15H2/b22-20+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382626
PNG
(CHEMBL2024363)
Show SMILES CCCCC\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C19H21N3S/c1-2-3-10-15-20-19-21-18(16-11-6-4-7-12-16)22(23-19)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3/b20-19+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382612
PNG
(CHEMBL2024375)
Show SMILES FC(F)(F)c1ccc(cc1)-c1n\c(=N/Cc2cccnc2)sn1-c1ccccc1
Show InChI InChI=1S/C21H15F3N4S/c22-21(23,24)17-10-8-16(9-11-17)19-27-20(26-14-15-5-4-12-25-13-15)29-28(19)18-6-2-1-3-7-18/h1-13H,14H2/b26-20+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382601
PNG
(CHEMBL2022422 | CHEMBL2024360)
Show SMILES CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O2S/c1-2-23-16(22)13-19-18-20-17(14-9-5-3-6-10-14)21(24-18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3/b19-18+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382606
PNG
(CHEMBL2022418 | CHEMBL2024361)
Show SMILES OCC\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C16H15N3OS/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14/h1-10,20H,11-12H2/b17-16+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382611
PNG
(CHEMBL2022412)
Show SMILES C(\N=c1/nc(-c2ccccc2)n(s1)-c1cccc2ccccc12)c1cccnc1
Show InChI InChI=1S/C24H18N4S/c1-2-10-20(11-3-1)23-27-24(26-17-18-8-7-15-25-16-18)29-28(23)22-14-6-12-19-9-4-5-13-21(19)22/h1-16H,17H2/b26-24+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382622
PNG
(CHEMBL2024366)
Show SMILES CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccc(OC)cc1
Show InChI InChI=1S/C19H19N3O3S/c1-3-25-17(23)13-20-19-21-18(14-7-5-4-6-8-14)22(26-19)15-9-11-16(24-2)12-10-15/h4-12H,3,13H2,1-2H3/b20-19+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382605
PNG
(CHEMBL2022414 | CHEMBL2022419)
Show SMILES C(\N=c1/nc(-c2cccc3ccccc23)n(s1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H18N4S/c1-2-11-20(12-3-1)28-23(22-14-6-10-19-9-4-5-13-21(19)22)27-24(29-28)26-17-18-8-7-15-25-16-18/h1-16H,17H2/b26-24+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382624
PNG
(CHEMBL2024364)
Show SMILES C1CCC(CC1)\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C20H21N3S/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18/h1,3-5,8-11,14-15,17H,2,6-7,12-13H2/b21-20+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382602
PNG
(CHEMBL1709775)
Show SMILES c1ccc(cc1)\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C20H15N3S/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18/h1-15H/b21-20+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382623
PNG
(CHEMBL2024365)
Show SMILES COc1ccc(cc1)-n1s\c(=N\Cc2cccnc2)nc1-c1ccccc1
Show InChI InChI=1S/C21H18N4OS/c1-26-19-11-9-18(10-12-19)25-20(17-7-3-2-4-8-17)24-21(27-25)23-15-16-6-5-13-22-14-16/h2-14H,15H2,1H3/b23-21+
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n/an/a 4.10E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382618
PNG
(CHEMBL2024369)
Show SMILES COc1ccc(cc1)-n1s\c(=N\CCO)nc1-c1ccccc1
Show InChI InChI=1S/C17H17N3O2S/c1-22-15-9-7-14(8-10-15)20-16(13-5-3-2-4-6-13)19-17(23-20)18-11-12-21/h2-10,21H,11-12H2,1H3/b18-17+
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n/an/a 4.60E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50382601
PNG
(CHEMBL2022422 | CHEMBL2024360)
Show SMILES CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O2S/c1-2-23-16(22)13-19-18-20-17(14-9-5-3-6-10-14)21(24-18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3/b19-18+
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n/an/a 7.00E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP


J Med Chem 55: 1645-61 (2012)


Article DOI: 10.1021/jm201463v
BindingDB Entry DOI: 10.7270/Q2862HGD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%