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PDB code 1Q4L

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta

  (419/419 = 100%)
(Homo sapiens (Human))
BDBM8269
PNG
(2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihy...)
Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)ccc1Cl
Show InChI InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)
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n/an/a 76n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta


Bioorg Med Chem 16: 636-43 (2008)


Article DOI: 10.1016/j.bmc.2007.10.047
BindingDB Entry DOI: 10.7270/Q2Q24133
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta

  (419/419 = 100%)
(Homo sapiens (Human))
BDBM8269
PNG
(2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihy...)
Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)ccc1Cl
Show InChI InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)
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n/an/a 76n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta


J Med Chem 51: 2062-77 (2008)


Article DOI: 10.1021/jm7009765
BindingDB Entry DOI: 10.7270/Q20Z744C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta

  (419/419 = 100%)
(Homo sapiens (Human))
BDBM8269
PNG
(2-chloro-5-{[4-(3-chlorophenyl)-2,5-dioxo-2,5-dihy...)
Show SMILES OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)ccc1Cl
Show InChI InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)
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n/an/a 160n/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
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output