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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50325986'   
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


(Mus musculus)
BDBM50325986
PNG
(3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1
Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to GSK-3 beta in mouse D3 cells


Nat Chem Biol 1: 74-84 (2006)


Article DOI: 10.1038/nchembio0705-74
BindingDB Entry DOI: 10.7270/Q2MC9118
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50325986
PNG
(3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1
Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C eta expressed in Sf-9 cells


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))
BDBM50325986
PNG
(3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1
Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Trends Pharmacol Sci 25: 471-80 (2004)


Article DOI: 10.1016/j.tips.2004.07.006
BindingDB Entry DOI: 10.7270/Q2VX0HG5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50325986
PNG
(3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1
Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
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n/an/a 30n/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


(Mus musculus)
BDBM50325986
PNG
(3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1
Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 beta in mouse D3 cells assessed as induction of neuron specific marker neurofilament-M by immunofluorescence method


Nat Chem Biol 1: 74-84 (2006)


Article DOI: 10.1038/nchembio0705-74
BindingDB Entry DOI: 10.7270/Q2MC9118
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Mus musculus)
BDBM50325986
PNG
(3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1
Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 beta in mouse D3 cells assessed as induction of neuron specific marker beta3-tubulin by immunofluorescence method


Nat Chem Biol 1: 74-84 (2006)


Article DOI: 10.1038/nchembio0705-74
BindingDB Entry DOI: 10.7270/Q2MC9118
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Mus musculus)
BDBM50325986
PNG
(3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1
Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
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n/an/an/a 126n/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 beta in mouse D3 cells


Nat Chem Biol 1: 74-84 (2006)


Article DOI: 10.1038/nchembio0705-74
BindingDB Entry DOI: 10.7270/Q2MC9118
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Mus musculus)
BDBM50325986
PNG
(3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1
Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
PDB
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PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 beta in mouse D3 cells assessed as induction of neuron specific marker neurofilament-M by immunofluorescence method


Nat Chem Biol 1: 74-84 (2006)


Article DOI: 10.1038/nchembio0705-74
BindingDB Entry DOI: 10.7270/Q2MC9118
More data for this
Ligand-Target Pair