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Compile Data Set for Download or QSAR

Found 162 hits Enz. Inhib. hit(s) with all data for entry = 50042364   
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))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 29n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424711
PNG
(CHEMBL2314163)
Show SMILES COc1ccc2c(c1)oc1c(N)ncnc21
Show InChI InChI=1S/C11H9N3O2/c1-15-6-2-3-7-8(4-6)16-10-9(7)13-5-14-11(10)12/h2-5H,1H3,(H2,12,13,14)
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n/an/a 410n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424676
PNG
(CHEMBL2313912)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc4OCCOc4c3)ncnc21
Show InChI InChI=1S/C19H15N3O3S/c1-23-12-3-4-13-16(9-12)26-18-17(13)20-10-21-19(18)22-11-2-5-14-15(8-11)25-7-6-24-14/h2-5,8-10H,6-7H2,1H3,(H,20,21,22)
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n/an/a 500n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424671
PNG
(CHEMBL2313917)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccccc3Cl)ncnc21
Show InChI InChI=1S/C17H12ClN3OS/c1-22-10-6-7-11-14(8-10)23-16-15(11)19-9-20-17(16)21-13-5-3-2-4-12(13)18/h2-9H,1H3,(H,19,20,21)
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n/an/a 610n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424660
PNG
(CHEMBL2313884)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(cc3)N(C)C)ncnc21
Show InChI InChI=1S/C19H18N4OS/c1-23(2)13-6-4-12(5-7-13)22-19-18-17(20-11-21-19)15-9-8-14(24-3)10-16(15)25-18/h4-11H,1-3H3,(H,20,21,22)
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n/an/a 660n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424676
PNG
(CHEMBL2313912)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc4OCCOc4c3)ncnc21
Show InChI InChI=1S/C19H15N3O3S/c1-23-12-3-4-13-16(9-12)26-18-17(13)20-10-21-19(18)22-11-2-5-14-15(8-11)25-7-6-24-14/h2-5,8-10H,6-7H2,1H3,(H,20,21,22)
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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 CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424663
PNG
(CHEMBL2313925)
Show SMILES COc1ccc(Nc2ncnc3c4ccc(OC)cc4sc23)c(F)c1
Show InChI InChI=1S/C18H14FN3O2S/c1-23-10-4-6-14(13(19)7-10)22-18-17-16(20-9-21-18)12-5-3-11(24-2)8-15(12)25-17/h3-9H,1-2H3,(H,20,21,22)
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n/an/a 710n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424664
PNG
(CHEMBL2313924)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(Br)cc3F)ncnc21
Show InChI InChI=1S/C17H11BrFN3OS/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-13-5-2-9(18)6-12(13)19/h2-8H,1H3,(H,20,21,22)
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n/an/a 710n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424660
PNG
(CHEMBL2313884)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(cc3)N(C)C)ncnc21
Show InChI InChI=1S/C19H18N4OS/c1-23(2)13-6-4-12(5-7-13)22-19-18-17(20-11-21-19)15-9-8-14(24-3)10-16(15)25-18/h4-11H,1-3H3,(H,20,21,22)
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n/an/a 790n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of DYRK3 (unknown origin)


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424707
PNG
(CHEMBL2314167)
Show SMILES COc1ccc(Nc2ncnc3c4ccc(OC)cc4oc23)cc1
Show InChI InChI=1S/C18H15N3O3/c1-22-12-5-3-11(4-6-12)21-18-17-16(19-10-20-18)14-8-7-13(23-2)9-15(14)24-17/h3-10H,1-2H3,(H,19,20,21)
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n/an/a 880n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 900n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of DYRK2 (unknown origin)


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424665
PNG
(CHEMBL2313923)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(F)cc3F)ncnc21
Show InChI InChI=1S/C17H11F2N3OS/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-13-5-2-9(18)6-12(13)19/h2-8H,1H3,(H,20,21,22)
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n/an/a 930n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424680
PNG
(CHEMBL2313908)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(OC)c(OC)c3)ncnc21
Show InChI InChI=1S/C19H17N3O3S/c1-23-12-5-6-13-16(9-12)26-18-17(13)20-10-21-19(18)22-11-4-7-14(24-2)15(8-11)25-3/h4-10H,1-3H3,(H,20,21,22)
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n/an/a 930n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424711
PNG
(CHEMBL2314163)
Show SMILES COc1ccc2c(c1)oc1c(N)ncnc21
Show InChI InChI=1S/C11H9N3O2/c1-15-6-2-3-7-8(4-6)16-10-9(7)13-5-14-11(10)12/h2-5H,1H3,(H2,12,13,14)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424707
PNG
(CHEMBL2314167)
Show SMILES COc1ccc(Nc2ncnc3c4ccc(OC)cc4oc23)cc1
Show InChI InChI=1S/C18H15N3O3/c1-22-12-5-3-11(4-6-12)21-18-17-16(19-10-20-18)14-8-7-13(23-2)9-15(14)24-17/h3-10H,1-2H3,(H,19,20,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424665
PNG
(CHEMBL2313923)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(F)cc3F)ncnc21
Show InChI InChI=1S/C17H11F2N3OS/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-13-5-2-9(18)6-12(13)19/h2-8H,1H3,(H,20,21,22)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424668
PNG
(CHEMBL2313920)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(Cl)cc3Cl)ncnc21
Show InChI InChI=1S/C17H11Cl2N3OS/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-13-5-2-9(18)6-12(13)19/h2-8H,1H3,(H,20,21,22)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424703
PNG
(CHEMBL2313885)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccc4OCOc4c3)ncnc21
Show InChI InChI=1S/C18H13N3O4/c1-22-11-3-4-12-14(7-11)25-17-16(12)19-8-20-18(17)21-10-2-5-13-15(6-10)24-9-23-13/h2-8H,9H2,1H3,(H,19,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424670
PNG
(CHEMBL2313918)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(Cl)c(Cl)c3)ncnc21
Show InChI InChI=1S/C17H11Cl2N3OS/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-9-2-5-12(18)13(19)6-9/h2-8H,1H3,(H,20,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424664
PNG
(CHEMBL2313924)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(Br)cc3F)ncnc21
Show InChI InChI=1S/C17H11BrFN3OS/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-13-5-2-9(18)6-12(13)19/h2-8H,1H3,(H,20,21,22)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424662
PNG
(CHEMBL2313926)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(cc3)C#N)ncnc21
Show InChI InChI=1S/C18H12N4OS/c1-23-13-6-7-14-15(8-13)24-17-16(14)20-10-21-18(17)22-12-4-2-11(9-19)3-5-12/h2-8,10H,1H3,(H,20,21,22)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424680
PNG
(CHEMBL2313908)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(OC)c(OC)c3)ncnc21
Show InChI InChI=1S/C19H17N3O3S/c1-23-12-5-6-13-16(9-12)26-18-17(13)20-10-21-19(18)22-11-4-7-14(24-2)15(8-11)25-3/h4-10H,1-3H3,(H,20,21,22)
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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 human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424703
PNG
(CHEMBL2313885)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccc4OCOc4c3)ncnc21
Show InChI InChI=1S/C18H13N3O4/c1-22-11-3-4-12-14(7-11)25-17-16(12)19-8-20-18(17)21-10-2-5-13-15(6-10)24-9-23-13/h2-8H,9H2,1H3,(H,19,20,21)
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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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424671
PNG
(CHEMBL2313917)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccccc3Cl)ncnc21
Show InChI InChI=1S/C17H12ClN3OS/c1-22-10-6-7-11-14(8-10)23-16-15(11)19-9-20-17(16)21-13-5-3-2-4-12(13)18/h2-9H,1H3,(H,19,20,21)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424694
PNG
(CHEMBL2313894)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccc(Cl)cc3Cl)ncnc21
Show InChI InChI=1S/C17H11Cl2N3O2/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-13-5-2-9(18)6-12(13)19/h2-8H,1H3,(H,20,21,22)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424697
PNG
(CHEMBL2313891)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccccc3Cl)ncnc21
Show InChI InChI=1S/C17H12ClN3O2/c1-22-10-6-7-11-14(8-10)23-16-15(11)19-9-20-17(16)21-13-5-3-2-4-12(13)18/h2-9H,1H3,(H,19,20,21)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424679
PNG
(CHEMBL2313909)
Show SMILES COc1ccc2c(c1)sc1c(Nc3cc(OC)cc(OC)c3)ncnc21
Show InChI InChI=1S/C19H17N3O3S/c1-23-12-4-5-15-16(9-12)26-18-17(15)20-10-21-19(18)22-11-6-13(24-2)8-14(7-11)25-3/h4-10H,1-3H3,(H,20,21,22)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424697
PNG
(CHEMBL2313891)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccccc3Cl)ncnc21
Show InChI InChI=1S/C17H12ClN3O2/c1-22-10-6-7-11-14(8-10)23-16-15(11)19-9-20-17(16)21-13-5-3-2-4-12(13)18/h2-9H,1H3,(H,19,20,21)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424679
PNG
(CHEMBL2313909)
Show SMILES COc1ccc2c(c1)sc1c(Nc3cc(OC)cc(OC)c3)ncnc21
Show InChI InChI=1S/C19H17N3O3S/c1-23-12-4-5-15-16(9-12)26-18-17(15)20-10-21-19(18)22-11-6-13(24-2)8-14(7-11)25-3/h4-10H,1-3H3,(H,20,21,22)
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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 human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424682
PNG
(CHEMBL2313906)
Show SMILES COc1ccc2c(c1)sc1c(Nc3cccc(C)c3)ncnc21
Show InChI InChI=1S/C18H15N3OS/c1-11-4-3-5-12(8-11)21-18-17-16(19-10-20-18)14-7-6-13(22-2)9-15(14)23-17/h3-10H,1-2H3,(H,19,20,21)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424670
PNG
(CHEMBL2313918)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(Cl)c(Cl)c3)ncnc21
Show InChI InChI=1S/C17H11Cl2N3OS/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-9-2-5-12(18)13(19)6-9/h2-8H,1H3,(H,20,21,22)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50424662
PNG
(CHEMBL2313926)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(cc3)C#N)ncnc21
Show InChI InChI=1S/C18H12N4OS/c1-23-13-6-7-14-15(8-13)24-17-16(14)20-10-21-18(17)22-12-4-2-11(9-19)3-5-12/h2-8,10H,1H3,(H,20,21,22)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424681
PNG
(CHEMBL2313907)
Show SMILES COc1ccc(Nc2ncnc3c4ccc(OC)cc4sc23)cc1
Show InChI InChI=1S/C18H15N3O2S/c1-22-12-5-3-11(4-6-12)21-18-17-16(19-10-20-18)14-8-7-13(23-2)9-15(14)24-17/h3-10H,1-2H3,(H,19,20,21)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424669
PNG
(CHEMBL2313919)
Show SMILES COc1ccc2c(c1)sc1c(Nc3cc(Cl)cc(Cl)c3)ncnc21
Show InChI InChI=1S/C17H11Cl2N3OS/c1-23-12-2-3-13-14(7-12)24-16-15(13)20-8-21-17(16)22-11-5-9(18)4-10(19)6-11/h2-8H,1H3,(H,20,21,22)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424698
PNG
(CHEMBL2313890)
Show SMILES COc1ccc2c(c1)oc1c(Nc3cccc(Cl)c3)ncnc21
Show InChI InChI=1S/C17H12ClN3O2/c1-22-12-5-6-13-14(8-12)23-16-15(13)19-9-20-17(16)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424699
PNG
(CHEMBL2313889)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccc(Cl)cc3)ncnc21
Show InChI InChI=1S/C17H12ClN3O2/c1-22-12-6-7-13-14(8-12)23-16-15(13)19-9-20-17(16)21-11-4-2-10(18)3-5-11/h2-9H,1H3,(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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424700
PNG
(CHEMBL2313888)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccc(Br)cc3)ncnc21
Show InChI InChI=1S/C17H12BrN3O2/c1-22-12-6-7-13-14(8-12)23-16-15(13)19-9-20-17(16)21-11-4-2-10(18)3-5-11/h2-9H,1H3,(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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424701
PNG
(CHEMBL2313887)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccc(F)cc3)ncnc21
Show InChI InChI=1S/C17H12FN3O2/c1-22-12-6-7-13-14(8-12)23-16-15(13)19-9-20-17(16)21-11-4-2-10(18)3-5-11/h2-9H,1H3,(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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424702
PNG
(CHEMBL2313886)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccc4OCCOc4c3)ncnc21
Show InChI InChI=1S/C19H15N3O4/c1-23-12-3-4-13-15(9-12)26-18-17(13)20-10-21-19(18)22-11-2-5-14-16(8-11)25-7-6-24-14/h2-5,8-10H,6-7H2,1H3,(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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424704
PNG
(CHEMBL2314170)
Show SMILES COc1ccc2c(c1)oc1c(Nc3cc(OC)c(OC)c(OC)c3)ncnc21
Show InChI InChI=1S/C20H19N3O5/c1-24-12-5-6-13-14(9-12)28-19-17(13)21-10-22-20(19)23-11-7-15(25-2)18(27-4)16(8-11)26-3/h5-10H,1-4H3,(H,21,22,23)
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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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424705
PNG
(CHEMBL2314169)
Show SMILES COc1ccc2c(c1)oc1c(Cc3cc(OC)cc(OC)c3)cccc21
Show InChI InChI=1S/C22H20O4/c1-23-16-7-8-19-20-6-4-5-15(22(20)26-21(19)13-16)9-14-10-17(24-2)12-18(11-14)25-3/h4-8,10-13H,9H2,1-3H3
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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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424706
PNG
(CHEMBL2314168)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccc(OC)c(OC)c3)ncnc21
Show InChI InChI=1S/C19H17N3O4/c1-23-12-5-6-13-15(9-12)26-18-17(13)20-10-21-19(18)22-11-4-7-14(24-2)16(8-11)25-3/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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424708
PNG
(CHEMBL2314166)
Show SMILES COc1ccc2c(c1)oc1c(Nc3cccc(C)c3)ncnc21
Show InChI InChI=1S/C18H15N3O2/c1-11-4-3-5-12(8-11)21-18-17-16(19-10-20-18)14-7-6-13(22-2)9-15(14)23-17/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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424709
PNG
(CHEMBL2314165)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccc(C)cc3)cccc21
Show InChI InChI=1S/C20H17NO2/c1-13-6-8-14(9-7-13)21-18-5-3-4-17-16-11-10-15(22-2)12-19(16)23-20(17)18/h3-12,21H,1-2H3
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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 DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50424710
PNG
(CHEMBL2314164)
Show SMILES COc1ccc2c(c1)oc1c(Nc3ccccc3)ncnc21
Show InChI InChI=1S/C17H13N3O2/c1-21-12-7-8-13-14(9-12)22-16-15(13)18-10-19-17(16)20-11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19,20)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50424676
PNG
(CHEMBL2313912)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc4OCCOc4c3)ncnc21
Show InChI InChI=1S/C19H15N3O3S/c1-23-12-3-4-13-16(9-12)26-18-17(13)20-10-21-19(18)22-11-2-5-14-15(8-11)25-7-6-24-14/h2-5,8-10H,6-7H2,1H3,(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 human recombinant CDK5/p25 after 30 mins by scintillation counting


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50424677
PNG
(CHEMBL2313911)
Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc4OCOc4c3)ncnc21
Show InChI InChI=1S/C18H13N3O3S/c1-22-11-3-4-12-15(7-11)25-17-16(12)19-8-20-18(17)21-10-2-5-13-14(6-10)24-9-23-13/h2-8H,9H2,1H3,(H,19,20,21)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 after 30 mins by scintillation counting


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
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