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Compile Data Set for Download or QSAR

Found 200 hits Enz. Inhib. hit(s) with all data for entry = 50048220   
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))
BDBM50140932
PNG
(CHEMBL3753668)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H10N4/c16-8-12(7-11-3-1-5-17-9-11)14-10-19-15-13(14)4-2-6-18-15/h1-7,9-10H,(H,18,19)/b12-7+
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n/an/a 16n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208626
PNG
(CHEMBL3884821)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C#N
Show InChI InChI=1S/C18H13N3O2/c1-22-12-3-4-13-14(6-12)21-18-16(13)10(7-19)5-11-8-20-9-15(23-2)17(11)18/h3-6,8-9,21H,1-2H3
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n/an/a 18n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50140932
PNG
(CHEMBL3753668)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H10N4/c16-8-12(7-11-3-1-5-17-9-11)14-10-19-15-13(14)4-2-6-18-15/h1-7,9-10H,(H,18,19)/b12-7+
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n/an/a 21n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208628
PNG
(CHEMBL3885036)
Show SMILES COc1ccc2[nH]c3c(c(C#N)c([nH]c3=O)-c3cccnc3)c2c1
Show InChI InChI=1S/C18H12N4O2/c1-24-11-4-5-14-12(7-11)15-13(8-19)16(10-3-2-6-20-9-10)22-18(23)17(15)21-14/h2-7,9,21H,1H3,(H,22,23)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208711
PNG
(CHEMBL3885335)
Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1
Show InChI InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208626
PNG
(CHEMBL3884821)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C#N
Show InChI InChI=1S/C18H13N3O2/c1-22-12-3-4-13-14(6-12)21-18-16(13)10(7-19)5-11-8-20-9-15(23-2)17(11)18/h3-6,8-9,21H,1-2H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208635
PNG
(CHEMBL3883660)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208635
PNG
(CHEMBL3883660)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
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



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208625
PNG
(CHEMBL3885431)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-14-4-2-3-13-15-10(8-18)7-11-9-19-6-5-12(11)17(15)20-16(13)14/h2-7,9,20H,1H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50208625
PNG
(CHEMBL3885431)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-14-4-2-3-13-15-10(8-18)7-11-9-19-6-5-12(11)17(15)20-16(13)14/h2-7,9,20H,1H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
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 29n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208626
PNG
(CHEMBL3884821)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C#N
Show InChI InChI=1S/C18H13N3O2/c1-22-12-3-4-13-14(6-12)21-18-16(13)10(7-19)5-11-8-20-9-15(23-2)17(11)18/h3-6,8-9,21H,1-2H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
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 30n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DYRK1A (1 to 499 residues) expressed in Escherichia coli using woodtide as substrate incubated for 30 mins in presenc...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208635
PNG
(CHEMBL3883660)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50208635
PNG
(CHEMBL3883660)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3
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n/an/a 34n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208711
PNG
(CHEMBL3885335)
Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1
Show InChI InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208625
PNG
(CHEMBL3885431)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-14-4-2-3-13-15-10(8-18)7-11-9-19-6-5-12(11)17(15)20-16(13)14/h2-7,9,20H,1H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208625
PNG
(CHEMBL3885431)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-14-4-2-3-13-15-10(8-18)7-11-9-19-6-5-12(11)17(15)20-16(13)14/h2-7,9,20H,1H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50208626
PNG
(CHEMBL3884821)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C#N
Show InChI InChI=1S/C18H13N3O2/c1-22-12-3-4-13-14(6-12)21-18-16(13)10(7-19)5-11-8-20-9-15(23-2)17(11)18/h3-6,8-9,21H,1-2H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50208625
PNG
(CHEMBL3885431)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-14-4-2-3-13-15-10(8-18)7-11-9-19-6-5-12(11)17(15)20-16(13)14/h2-7,9,20H,1H3
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n/an/a 44n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208628
PNG
(CHEMBL3885036)
Show SMILES COc1ccc2[nH]c3c(c(C#N)c([nH]c3=O)-c3cccnc3)c2c1
Show InChI InChI=1S/C18H12N4O2/c1-24-11-4-5-14-12(7-11)15-13(8-19)16(10-3-2-6-20-9-10)22-18(23)17(15)21-14/h2-7,9,21H,1H3,(H,22,23)
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n/an/a 47n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208627
PNG
(CHEMBL3885316)
Show SMILES COc1ccc2c(n1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C16H10N4O/c1-21-13-3-2-12-14-9(7-17)6-10-8-18-5-4-11(10)15(14)20-16(12)19-13/h2-6,8H,1H3,(H,19,20)
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n/an/a 47n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50140932
PNG
(CHEMBL3753668)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H10N4/c16-8-12(7-11-3-1-5-17-9-11)14-10-19-15-13(14)4-2-6-18-15/h1-7,9-10H,(H,18,19)/b12-7+
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n/an/a 47n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208729
PNG
(CHEMBL3883764)
Show SMILES N#Cc1cc2cnccc2c2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H9N3/c17-8-10-7-11-9-18-6-5-12(11)16-15(10)13-3-1-2-4-14(13)19-16/h1-7,9,19H
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n/an/a 50n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208709
PNG
(CHEMBL3883639)
Show SMILES COc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-15-14(7-12)16-10(8-18)6-11-9-19-5-4-13(11)17(16)20-15/h2-7,9,20H,1H3
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n/an/a 51n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208636
PNG
(CHEMBL3884932)
Show SMILES COc1ccc2[nH]c3c(c(cc4cncc(OC)c34)C#N)c2c1
Show InChI InChI=1S/C18H13N3O2/c1-22-12-3-4-14-13(6-12)16-10(7-19)5-11-8-20-9-15(23-2)17(11)18(16)21-14/h3-6,8-9,21H,1-2H3
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n/an/a 56n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208709
PNG
(CHEMBL3883639)
Show SMILES COc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-15-14(7-12)16-10(8-18)6-11-9-19-5-4-13(11)17(16)20-15/h2-7,9,20H,1H3
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n/an/a 57n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208715
PNG
(CHEMBL3884570)
Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+
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n/an/a 71n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50208635
PNG
(CHEMBL3883660)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3
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n/an/a 80n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208627
PNG
(CHEMBL3885316)
Show SMILES COc1ccc2c(n1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C16H10N4O/c1-21-13-3-2-12-14-9(7-17)6-10-8-18-5-4-11(10)15(14)20-16(12)19-13/h2-6,8H,1H3,(H,19,20)
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n/an/a 86n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50208627
PNG
(CHEMBL3885316)
Show SMILES COc1ccc2c(n1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C16H10N4O/c1-21-13-3-2-12-14-9(7-17)6-10-8-18-5-4-11(10)15(14)20-16(12)19-13/h2-6,8H,1H3,(H,19,20)
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n/an/a 93n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208724
PNG
(CHEMBL3884250)
Show SMILES COc1cccc2[nH]c3c(c(cc4cnccc34)C#N)c12
Show InChI InChI=1S/C17H11N3O/c1-21-14-4-2-3-13-16(14)15-10(8-18)7-11-9-19-6-5-12(11)17(15)20-13/h2-7,9,20H,1H3
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n/an/a 100n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50208715
PNG
(CHEMBL3884570)
Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208710
PNG
(CHEMBL3884627)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O
Show InChI InChI=1S/C17H13N3O2/c1-22-13-4-2-3-11-14-12(17(18)21)7-9-8-19-6-5-10(9)16(14)20-15(11)13/h2-8,20H,1H3,(H2,18,21)
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n/an/a 110n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208640
PNG
(CHEMBL3883448)
Show SMILES COc1ccc2c(c[nH]c2n1)-c1ccncc1
Show InChI InChI=1S/C13H11N3O/c1-17-12-3-2-10-11(8-15-13(10)16-12)9-4-6-14-7-5-9/h2-8H,1H3,(H,15,16)
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n/an/a 110n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50208709
PNG
(CHEMBL3883639)
Show SMILES COc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-15-14(7-12)16-10(8-18)6-11-9-19-5-4-13(11)17(16)20-15/h2-7,9,20H,1H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208633
PNG
(CHEMBL3884015)
Show SMILES N#Cc1cc2cnccc2c2[nH]c3ncccc3c12
Show InChI InChI=1S/C15H8N4/c16-7-9-6-10-8-17-5-3-11(10)14-13(9)12-2-1-4-18-15(12)19-14/h1-6,8H,(H,18,19)
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n/an/a 130n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50140932
PNG
(CHEMBL3753668)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H10N4/c16-8-12(7-11-3-1-5-17-9-11)14-10-19-15-13(14)4-2-6-18-15/h1-7,9-10H,(H,18,19)/b12-7+
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n/an/a 130n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate after 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50208626
PNG
(CHEMBL3884821)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C#N
Show InChI InChI=1S/C18H13N3O2/c1-22-12-3-4-13-14(6-12)21-18-16(13)10(7-19)5-11-8-20-9-15(23-2)17(11)18/h3-6,8-9,21H,1-2H3
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CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208633
PNG
(CHEMBL3884015)
Show SMILES N#Cc1cc2cnccc2c2[nH]c3ncccc3c12
Show InChI InChI=1S/C15H8N4/c16-7-9-6-10-8-17-5-3-11(10)14-13(9)12-2-1-4-18-15(12)19-14/h1-6,8H,(H,18,19)
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n/an/a 160n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50208633
PNG
(CHEMBL3884015)
Show SMILES N#Cc1cc2cnccc2c2[nH]c3ncccc3c12
Show InChI InChI=1S/C15H8N4/c16-7-9-6-10-8-17-5-3-11(10)14-13(9)12-2-1-4-18-15(12)19-14/h1-6,8H,(H,18,19)
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n/an/a 160n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208638
PNG
(CHEMBL3883820)
Show SMILES N#Cc1cc2ccncc2c2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H9N3/c17-8-11-7-10-5-6-18-9-13(10)16-15(11)12-3-1-2-4-14(12)19-16/h1-7,9,19H
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n/an/a 170n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208715
PNG
(CHEMBL3884570)
Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+
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n/an/a 180n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208638
PNG
(CHEMBL3883820)
Show SMILES N#Cc1cc2ccncc2c2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H9N3/c17-8-11-7-10-5-6-18-9-13(10)16-15(11)12-3-1-2-4-14(12)19-16/h1-7,9,19H
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n/an/a 180n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM50208625
PNG
(CHEMBL3885431)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-14-4-2-3-13-15-10(8-18)7-11-9-19-6-5-12(11)17(15)20-16(13)14/h2-7,9,20H,1H3
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n/an/a 180n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK3 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM50208635
PNG
(CHEMBL3883660)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3
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n/an/a 190n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK3 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208627
PNG
(CHEMBL3885316)
Show SMILES COc1ccc2c(n1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C16H10N4O/c1-21-13-3-2-12-14-9(7-17)6-10-8-18-5-4-11(10)15(14)20-16(12)19-13/h2-6,8H,1H3,(H,19,20)
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n/an/a 200n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208639
PNG
(CHEMBL3883414)
Show SMILES Fc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
Show InChI InChI=1S/C16H8FN3/c17-11-1-2-14-13(6-11)15-9(7-18)5-10-8-19-4-3-12(10)16(15)20-14/h1-6,8,20H
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n/an/a 200n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50208709
PNG
(CHEMBL3883639)
Show SMILES COc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-15-14(7-12)16-10(8-18)6-11-9-19-5-4-13(11)17(16)20-15/h2-7,9,20H,1H3
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n/an/a 220n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
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