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SMILES: COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1

InChI Key: InChIKey=YAEMHJKFIIIULI-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50229962   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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38n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using biotin-AAEELDSRAGS(PO3H2)PQL as substrate after 20 mins by liquid scintillation counting


Bioorg Med Chem Lett 22: 2099-101 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.139
BindingDB Entry DOI: 10.7270/Q2CV4JRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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38n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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770n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of GSK-3beta using phospho-glycogen synthase peptide-2 as substrate after 10 mins by liquid scintillation counting


Bioorg Med Chem Lett 22: 2099-101 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.139
BindingDB Entry DOI: 10.7270/Q2CV4JRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 42n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by scintillation counting


J Med Chem 52: 1853-63 (2009)


Article DOI: 10.1021/jm801317h
BindingDB Entry DOI: 10.7270/Q24M94FZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 100n/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
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 3.30E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 104n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 104n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk2


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk5


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of CDK5 at 10 mM


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))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 104n/an/an/an/an/an/a



Instituto de Quimica Medica-CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta


J Med Chem 54: 8461-70 (2011)


Article DOI: 10.1021/jm200996g
BindingDB Entry DOI: 10.7270/Q2125TPD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 100n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK3beta using biotin-AAEELDSRAGS(PO3H2)PQL as substrate preincubated for 10 to 15 mins followed by [gamma33P]ATP add...


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
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 220n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE substrate peptide and [gamma-33P-ATP] incubated for 40 mins by scintillation count...


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
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Mus musculus)
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 100n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human GSK-3beta in mouse 3T3 fibroblasts stably expressing four-repeat tau protein assessed as reduction in tau S396 phosphorylation af...


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
3D
3D Structure (crystal)
Glycogen synthase kinase-3 alpha/beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 104n/an/an/an/an/an/a



Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK3alpha/beta using biotin-AAEELDSRAGS(PO3H2)PQL as substrate preincubated for 10 to 15 mins followed by [gamma-33P]...


Bioorg Med Chem Lett 29: 1597-1600 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 72n/an/an/an/an/an/a



Stellenbosch University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK3beta using prephosphorylated peptide as substrate measured after 30 mins by Kinase-glo luminescence assay


Bioorg Med Chem Lett 29: 1597-1600 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of CDK2 at 10 mM


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))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 104n/an/an/an/an/an/a



Angelini Pharma S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GSK3beta expressed in Sf21 insect cells using biotinylated-AAEELDSRAGS(PO3H2)PQL peptide as substrate pre...


ACS Med Chem Lett 11: 825-831 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 104n/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)