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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50166940'   
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))
BDBM50166940
PNG
(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3beta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112949
BindingDB Entry DOI: 10.7270/Q22V2KVV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50166940
PNG
(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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n/an/a 60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00931
BindingDB Entry DOI: 10.7270/Q2CF9V25
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50166940
PNG
(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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n/an/a 78n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of GSK-3beta (unknown origin)


Bioorg Med Chem Lett 28: 160-166 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.036
BindingDB Entry DOI: 10.7270/Q2NG4T7X
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50166940
PNG
(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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n/an/a 139n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GSK-3beta preincubated for 3 hrs followed by ATP and substrate addition measured by serial dilution assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116179
BindingDB Entry DOI: 10.7270/Q2H70KMS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50166940
PNG
(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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n/an/a 251n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01511
BindingDB Entry DOI: 10.7270/Q22Z19M2
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50166940
PNG
(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta expressed in Escherichia coli using GS-1 as substrate incubated for 20 mins by gamma[32P]ATP-based scintilla...


Eur J Med Chem 116: 281-289 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.035
BindingDB Entry DOI: 10.7270/Q2BP04P7
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50166940
PNG
(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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n/an/a 1.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GSK-3beta incubated with substrate in presence of ATP measured by serial dilution assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116179
BindingDB Entry DOI: 10.7270/Q2H70KMS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50166940
PNG
(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


Eur J Med Chem 125: 464-477 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.058
BindingDB Entry DOI: 10.7270/Q2CN76CN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50166940
PNG
(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant GSK3beta using GSK3 peptide as substrate preincubated for 15 mins followed by ATP addition and measured after 90 mins...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.115998
BindingDB Entry DOI: 10.7270/Q22F7S2S
More data for this
Ligand-Target Pair