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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM8579'   
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))
BDBM8579
PNG
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24 | N-[6-...)
Show SMILES O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CCCC1
Show InChI InChI=1S/C17H16N4O2/c22-16(11-4-1-2-5-11)21-15-13-8-14(12-6-3-7-18-9-12)23-17(13)20-10-19-15/h3,6-11H,1-2,4-5H2,(H,19,20,21,22)
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Article
PubMed
n/an/a 5n/an/an/an/a7.222



Tsukuba Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


Bioorg Med Chem Lett 14: 3907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.064
BindingDB Entry DOI: 10.7270/Q2XD0ZWC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8579
PNG
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24 | N-[6-...)
Show SMILES O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CCCC1
Show InChI InChI=1S/C17H16N4O2/c22-16(11-4-1-2-5-11)21-15-13-8-14(12-6-3-7-18-9-12)23-17(13)20-10-19-15/h3,6-11H,1-2,4-5H2,(H,19,20,21,22)
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n/an/a 5n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C alpha


Eur J Med Chem 164: 448-470 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8579
PNG
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24 | N-[6-...)
Show SMILES O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CCCC1
Show InChI InChI=1S/C17H16N4O2/c22-16(11-4-1-2-5-11)21-15-13-8-14(12-6-3-7-18-9-12)23-17(13)20-10-19-15/h3,6-11H,1-2,4-5H2,(H,19,20,21,22)
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n/an/a 5n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta by scintillation proximity assay


Eur J Med Chem 144: 843-858 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.103
BindingDB Entry DOI: 10.7270/Q2Q242SG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8579
PNG
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24 | N-[6-...)
Show SMILES O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CCCC1
Show InChI InChI=1S/C17H16N4O2/c22-16(11-4-1-2-5-11)21-15-13-8-14(12-6-3-7-18-9-12)23-17(13)20-10-19-15/h3,6-11H,1-2,4-5H2,(H,19,20,21,22)
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n/an/a 5n/an/an/an/an/an/a



Sterling Road

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 44: 2361-71 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.012
BindingDB Entry DOI: 10.7270/Q2057FZX
More data for this
Ligand-Target Pair