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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 = 'BDBM7287'   
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))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Central University

Curated by ChEMBL


Assay Description
Competitive inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 30 mins by scintillation counting analysis i...


Eur J Med Chem 107: 63-81 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.018
BindingDB Entry DOI: 10.7270/Q2TH8PH8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti...


Bioorg Med Chem Lett 20: 1693-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.038
BindingDB Entry DOI: 10.7270/Q2ZK5HNS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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PubMed
n/an/a 620n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta expressed in insect Sf9 cells


Eur J Med Chem 45: 335-42 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.018
BindingDB Entry DOI: 10.7270/Q26W9C1V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Rattus norvegicus (rat))
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a 620n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


Eur J Biochem 267: 5983-94 (2000)


Article DOI: 10.1046/j.1432-1327.2000.01673.x
BindingDB Entry DOI: 10.7270/Q2CR5RJS
More data for this
Ligand-Target Pair