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Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for entry = 50040323   
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
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM27439
PNG
(8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca...)
Show SMILES Nc1ncnc2c3cccnc3sc12
Show InChI InChI=1S/C9H6N4S/c10-8-7-6(12-4-13-8)5-2-1-3-11-9(5)14-7/h1-4H,(H2,10,12,13)
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n/an/a 680n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma32P]ATP after 30 mins by scin...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392636
PNG
(CHEMBL2153529)
Show SMILES Fc1cc(Br)ccc1Nc1ncnc2c3cccnc3sc12
Show InChI InChI=1S/C15H8BrFN4S/c16-8-3-4-11(10(17)6-8)21-14-13-12(19-7-20-14)9-2-1-5-18-15(9)22-13/h1-7H,(H,19,20,21)
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n/an/a 890n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50392636
PNG
(CHEMBL2153529)
Show SMILES Fc1cc(Br)ccc1Nc1ncnc2c3cccnc3sc12
Show InChI InChI=1S/C15H8BrFN4S/c16-8-3-4-11(10(17)6-8)21-14-13-12(19-7-20-14)9-2-1-5-18-15(9)22-13/h1-7H,(H,19,20,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma32P]ATP after 30 mins by scin...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50392634
PNG
(CHEMBL2153527)
Show SMILES C1Oc2ccc(Nc3ncnc4c5cccnc5sc34)cc2O1
Show InChI InChI=1S/C16H10N4O2S/c1-2-10-13-14(23-16(10)17-5-1)15(19-7-18-13)20-9-3-4-11-12(6-9)22-8-21-11/h1-7H,8H2,(H,18,19,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma32P]ATP after 30 mins by scin...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM27439
PNG
(8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca...)
Show SMILES Nc1ncnc2c3cccnc3sc12
Show InChI InChI=1S/C9H6N4S/c10-8-7-6(12-4-13-8)5-2-1-3-11-9(5)14-7/h1-4H,(H2,10,12,13)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392631
PNG
(CHEMBL2153524)
Show SMILES COc1ccc(Nc2ncnc3c4cccnc4sc23)cc1OC
Show InChI InChI=1S/C17H14N4O2S/c1-22-12-6-5-10(8-13(12)23-2)21-16-15-14(19-9-20-16)11-4-3-7-18-17(11)24-15/h3-9H,1-2H3,(H,19,20,21)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50392630
PNG
(CHEMBL2153523)
Show SMILES COc1ccc(Nc2ncnc3c4cccnc4sc23)cc1
Show InChI InChI=1S/C16H12N4OS/c1-21-11-6-4-10(5-7-11)20-15-14-13(18-9-19-15)12-3-2-8-17-16(12)22-14/h2-9H,1H3,(H,18,19,20)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma32P]ATP after 30 mins by scin...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50392631
PNG
(CHEMBL2153524)
Show SMILES COc1ccc(Nc2ncnc3c4cccnc4sc23)cc1OC
Show InChI InChI=1S/C17H14N4O2S/c1-22-12-6-5-10(8-13(12)23-2)21-16-15-14(19-9-20-16)11-4-3-7-18-17(11)24-15/h3-9H,1-2H3,(H,19,20,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma32P]ATP after 30 mins by scin...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392622
PNG
(CHEMBL2153515)
Show SMILES COc1ccc(Nc2ncnc3c4ccccc4sc23)cc1OC
Show InChI InChI=1S/C18H15N3O2S/c1-22-13-8-7-11(9-14(13)23-2)21-18-17-16(19-10-20-18)12-5-3-4-6-15(12)24-17/h3-10H,1-2H3,(H,19,20,21)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392603
PNG
(CHEMBL2153534)
Show SMILES COc1ccc(Nc2ncnc3c2sc2cccnc32)cc1OC
Show InChI InChI=1S/C17H14N4O2S/c1-22-11-6-5-10(8-12(11)23-2)21-17-16-15(19-9-20-17)14-13(24-16)4-3-7-18-14/h3-9H,1-2H3,(H,19,20,21)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50392629
PNG
(CHEMBL2153522)
Show SMILES N(c1ccccc1)c1ncnc2c3cccnc3sc12
Show InChI InChI=1S/C15H10N4S/c1-2-5-10(6-3-1)19-14-13-12(17-9-18-14)11-7-4-8-16-15(11)20-13/h1-9H,(H,17,18,19)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma32P]ATP after 30 mins by scin...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50354392
PNG
(CHEMBL1836358)
Show SMILES Nc1ncnc2c3ccccc3sc12
Show InChI InChI=1S/C10H7N3S/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H,(H2,11,12,13)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50392600
PNG
(CHEMBL2153531)
Show SMILES Nc1ncnc2c3ncccc3sc12
Show InChI InChI=1S/C9H6N4S/c10-9-8-7(12-4-13-9)6-5(14-8)2-1-3-11-6/h1-4H,(H2,10,12,13)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma32P]ATP after 30 mins by scin...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50354392
PNG
(CHEMBL1836358)
Show SMILES Nc1ncnc2c3ccccc3sc12
Show InChI InChI=1S/C10H7N3S/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H,(H2,11,12,13)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392609
PNG
(CHEMBL2153540)
Show SMILES Oc1ccc(Nc2ncnc3c2sc2cccnc32)cc1[N+]([O-])=O
Show InChI InChI=1S/C15H9N5O3S/c21-10-4-3-8(6-9(10)20(22)23)19-15-14-13(17-7-18-15)12-11(24-14)2-1-5-16-12/h1-7,21H,(H,17,18,19)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392600
PNG
(CHEMBL2153531)
Show SMILES Nc1ncnc2c3ncccc3sc12
Show InChI InChI=1S/C9H6N4S/c10-9-8-7(12-4-13-9)6-5(14-8)2-1-3-11-6/h1-4H,(H2,10,12,13)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392608
PNG
(CHEMBL2153539)
Show SMILES Fc1cc(Br)ccc1Nc1ncnc2c1sc1cccnc21
Show InChI InChI=1S/C15H8BrFN4S/c16-8-3-4-10(9(17)6-8)21-15-14-13(19-7-20-15)12-11(22-14)2-1-5-18-12/h1-7H,(H,19,20,21)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM27439
PNG
(8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca...)
Show SMILES Nc1ncnc2c3cccnc3sc12
Show InChI InChI=1S/C9H6N4S/c10-8-7-6(12-4-13-8)5-2-1-3-11-9(5)14-7/h1-4H,(H2,10,12,13)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392599
PNG
(CHEMBL2153530)
Show SMILES Oc1ccc(Nc2ncnc3c2sc2ncccc32)cc1[N+]([O-])=O
Show InChI InChI=1S/C15H9N5O3S/c21-11-4-3-8(6-10(11)20(22)23)19-14-13-12(17-7-18-14)9-2-1-5-16-15(9)24-13/h1-7,21H,(H,17,18,19)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392600
PNG
(CHEMBL2153531)
Show SMILES Nc1ncnc2c3ncccc3sc12
Show InChI InChI=1S/C9H6N4S/c10-9-8-7(12-4-13-9)6-5(14-8)2-1-3-11-6/h1-4H,(H2,10,12,13)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392601
PNG
(CHEMBL2153532)
Show SMILES N(c1ccccc1)c1ncnc2c3ncccc3sc12
Show InChI InChI=1S/C15H10N4S/c1-2-5-10(6-3-1)19-15-14-13(17-9-18-15)12-11(20-14)7-4-8-16-12/h1-9H,(H,17,18,19)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392602
PNG
(CHEMBL2153533)
Show SMILES COc1ccc(Nc2ncnc3c2sc2cccnc32)cc1
Show InChI InChI=1S/C16H12N4OS/c1-21-11-6-4-10(5-7-11)20-16-15-14(18-9-19-16)13-12(22-15)3-2-8-17-13/h2-9H,1H3,(H,18,19,20)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392603
PNG
(CHEMBL2153534)
Show SMILES COc1ccc(Nc2ncnc3c2sc2cccnc32)cc1OC
Show InChI InChI=1S/C17H14N4O2S/c1-22-11-6-5-10(8-12(11)23-2)21-17-16-15(19-9-20-17)14-13(24-16)4-3-7-18-14/h3-9H,1-2H3,(H,19,20,21)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392604
PNG
(CHEMBL2153535)
Show SMILES COc1cc(Nc2ncnc3c2sc2cccnc32)cc(OC)c1
Show InChI InChI=1S/C17H14N4O2S/c1-22-11-6-10(7-12(8-11)23-2)21-17-16-15(19-9-20-17)14-13(24-16)4-3-5-18-14/h3-9H,1-2H3,(H,19,20,21)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392605
PNG
(CHEMBL2153536)
Show SMILES COc1cc(Nc2ncnc3c2sc2cccnc32)cc(OC)c1OC
Show InChI InChI=1S/C18H16N4O3S/c1-23-11-7-10(8-12(24-2)16(11)25-3)22-18-17-15(20-9-21-18)14-13(26-17)5-4-6-19-14/h4-9H,1-3H3,(H,20,21,22)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392606
PNG
(CHEMBL2153537)
Show SMILES C1Oc2ccc(Nc3ncnc4c3sc3cccnc43)cc2O1
Show InChI InChI=1S/C16H10N4O2S/c1-2-12-13(17-5-1)14-15(23-12)16(19-7-18-14)20-9-3-4-10-11(6-9)22-8-21-10/h1-7H,8H2,(H,18,19,20)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392607
PNG
(CHEMBL2153538)
Show SMILES C1COc2cc(Nc3ncnc4c3sc3cccnc43)ccc2O1
Show InChI InChI=1S/C17H12N4O2S/c1-2-13-14(18-5-1)15-16(24-13)17(20-9-19-15)21-10-3-4-11-12(8-10)23-7-6-22-11/h1-5,8-9H,6-7H2,(H,19,20,21)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392608
PNG
(CHEMBL2153539)
Show SMILES Fc1cc(Br)ccc1Nc1ncnc2c1sc1cccnc21
Show InChI InChI=1S/C15H8BrFN4S/c16-8-3-4-10(9(17)6-8)21-15-14-13(19-7-20-15)12-11(22-14)2-1-5-18-12/h1-7H,(H,19,20,21)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392609
PNG
(CHEMBL2153540)
Show SMILES Oc1ccc(Nc2ncnc3c2sc2cccnc32)cc1[N+]([O-])=O
Show InChI InChI=1S/C15H9N5O3S/c21-10-4-3-8(6-9(10)20(22)23)19-15-14-13(17-7-18-15)12-11(24-14)2-1-5-16-12/h1-7,21H,(H,17,18,19)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392610
PNG
(CHEMBL2153541)
Show SMILES Nc1ncnc2c3nccnc3sc12
Show InChI InChI=1S/C8H5N5S/c9-7-6-4(12-3-13-7)5-8(14-6)11-2-1-10-5/h1-3H,(H2,9,12,13)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392611
PNG
(CHEMBL2153542)
Show SMILES N(c1ccccc1)c1ncnc2c3nccnc3sc12
Show InChI InChI=1S/C14H9N5S/c1-2-4-9(5-3-1)19-13-12-10(17-8-18-13)11-14(20-12)16-7-6-15-11/h1-8H,(H,17,18,19)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392612
PNG
(CHEMBL2153543)
Show SMILES COc1ccc(Nc2ncnc3c2sc2nccnc32)cc1
Show InChI InChI=1S/C15H11N5OS/c1-21-10-4-2-9(3-5-10)20-14-13-11(18-8-19-14)12-15(22-13)17-7-6-16-12/h2-8H,1H3,(H,18,19,20)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392613
PNG
(CHEMBL2153544)
Show SMILES COc1ccc(Nc2ncnc3c2sc2nccnc32)cc1OC
Show InChI InChI=1S/C16H13N5O2S/c1-22-10-4-3-9(7-11(10)23-2)21-15-14-12(19-8-20-15)13-16(24-14)18-6-5-17-13/h3-8H,1-2H3,(H,19,20,21)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392614
PNG
(CHEMBL2153545)
Show SMILES COc1cc(Nc2ncnc3c2sc2nccnc32)cc(OC)c1
Show InChI InChI=1S/C16H13N5O2S/c1-22-10-5-9(6-11(7-10)23-2)21-15-14-12(19-8-20-15)13-16(24-14)18-4-3-17-13/h3-8H,1-2H3,(H,19,20,21)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392615
PNG
(CHEMBL2153546)
Show SMILES COc1cc(Nc2ncnc3c2sc2nccnc32)cc(OC)c1OC
Show InChI InChI=1S/C17H15N5O3S/c1-23-10-6-9(7-11(24-2)14(10)25-3)22-16-15-12(20-8-21-16)13-17(26-15)19-5-4-18-13/h4-8H,1-3H3,(H,20,21,22)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392616
PNG
(CHEMBL2153547)
Show SMILES C1Oc2ccc(Nc3ncnc4c3sc3nccnc43)cc2O1
Show InChI InChI=1S/C15H9N5O2S/c1-2-9-10(22-7-21-9)5-8(1)20-14-13-11(18-6-19-14)12-15(23-13)17-4-3-16-12/h1-6H,7H2,(H,18,19,20)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392617
PNG
(CHEMBL2153548)
Show SMILES C1COc2cc(Nc3ncnc4c3sc3nccnc43)ccc2O1
Show InChI InChI=1S/C16H11N5O2S/c1-2-10-11(23-6-5-22-10)7-9(1)21-15-14-12(19-8-20-15)13-16(24-14)18-4-3-17-13/h1-4,7-8H,5-6H2,(H,19,20,21)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392618
PNG
(CHEMBL2153549)
Show SMILES Fc1cc(Br)ccc1Nc1ncnc2c1sc1nccnc21
Show InChI InChI=1S/C14H7BrFN5S/c15-7-1-2-9(8(16)5-7)21-13-12-10(19-6-20-13)11-14(22-12)18-4-3-17-11/h1-6H,(H,19,20,21)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50392619
PNG
(CHEMBL2153550)
Show SMILES Oc1ccc(Nc2ncnc3c2sc2nccnc32)cc1[N+]([O-])=O
Show InChI InChI=1S/C14H8N6O3S/c21-9-2-1-7(5-8(9)20(22)23)19-13-12-10(17-6-18-13)11-14(24-12)16-4-3-15-11/h1-6,21H,(H,17,18,19)
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Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392620
PNG
(CHEMBL2153411)
Show SMILES N(c1ccccc1)c1ncnc2c3ccccc3sc12
Show InChI InChI=1S/C16H11N3S/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-16)12-8-4-5-9-13(12)20-15/h1-10H,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392621
PNG
(CHEMBL2153412)
Show SMILES COc1ccc(Nc2ncnc3c4ccccc4sc23)cc1
Show InChI InChI=1S/C17H13N3OS/c1-21-12-8-6-11(7-9-12)20-17-16-15(18-10-19-17)13-4-2-3-5-14(13)22-16/h2-10H,1H3,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392623
PNG
(CHEMBL2153516)
Show SMILES COc1cc(Nc2ncnc3c4ccccc4sc23)cc(OC)c1
Show InChI InChI=1S/C18H15N3O2S/c1-22-12-7-11(8-13(9-12)23-2)21-18-17-16(19-10-20-18)14-5-3-4-6-15(14)24-17/h3-10H,1-2H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392624
PNG
(CHEMBL2153517)
Show SMILES COc1cc(Nc2ncnc3c4ccccc4sc23)cc(OC)c1OC
Show InChI InChI=1S/C19H17N3O3S/c1-23-13-8-11(9-14(24-2)17(13)25-3)22-19-18-16(20-10-21-19)12-6-4-5-7-15(12)26-18/h4-10H,1-3H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392625
PNG
(CHEMBL2153518)
Show SMILES C1Oc2ccc(Nc3ncnc4c5ccccc5sc34)cc2O1
Show InChI InChI=1S/C17H11N3O2S/c1-2-4-14-11(3-1)15-16(23-14)17(19-8-18-15)20-10-5-6-12-13(7-10)22-9-21-12/h1-8H,9H2,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392626
PNG
(CHEMBL2153519)
Show SMILES C1COc2cc(Nc3ncnc4c5ccccc5sc34)ccc2O1
Show InChI InChI=1S/C18H13N3O2S/c1-2-4-15-12(3-1)16-17(24-15)18(20-10-19-16)21-11-5-6-13-14(9-11)23-8-7-22-13/h1-6,9-10H,7-8H2,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392627
PNG
(CHEMBL2153520)
Show SMILES Fc1cc(Br)ccc1Nc1ncnc2c3ccccc3sc12
Show InChI InChI=1S/C16H9BrFN3S/c17-9-5-6-12(11(18)7-9)21-16-15-14(19-8-20-16)10-3-1-2-4-13(10)22-15/h1-8H,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392628
PNG
(CHEMBL2153521)
Show SMILES Oc1ccc(Nc2ncnc3c2sc2ccccc32)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H10N4O3S/c21-12-6-5-9(7-11(12)20(22)23)19-16-15-14(17-8-18-16)10-3-1-2-4-13(10)24-15/h1-8,21H,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392629
PNG
(CHEMBL2153522)
Show SMILES N(c1ccccc1)c1ncnc2c3cccnc3sc12
Show InChI InChI=1S/C15H10N4S/c1-2-5-10(6-3-1)19-14-13-12(17-9-18-14)11-7-4-8-16-15(11)20-13/h1-9H,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392630
PNG
(CHEMBL2153523)
Show SMILES COc1ccc(Nc2ncnc3c4cccnc4sc23)cc1
Show InChI InChI=1S/C16H12N4OS/c1-21-11-6-4-10(5-7-11)20-15-14-13(18-9-19-15)12-3-2-8-17-16(12)22-14/h2-9H,1H3,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50392632
PNG
(CHEMBL2153525)
Show SMILES COc1cc(Nc2ncnc3c4cccnc4sc23)cc(OC)c1
Show InChI InChI=1S/C17H14N4O2S/c1-22-11-6-10(7-12(8-11)23-2)21-16-15-14(19-9-20-16)13-4-3-5-18-17(13)24-15/h3-9H,1-2H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by sc...


Eur J Med Chem 58: 171-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.006
BindingDB Entry DOI: 10.7270/Q21G0NCJ
More data for this
Ligand-Target Pair
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