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Compile Data Set for Download or QSAR

Found 113 hits Enz. Inhib. hit(s) with all data for entry = 50047209   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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n/an/a 2.20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 2.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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n/an/a 2.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 2.60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 8n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged PI3K-gamma (39 to 1102 residues) expressed n baculovirus infected TN5 cells using phosphatidyli...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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n/an/a 12n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 13n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of STK17A (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 16n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110delta (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 18n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged CLK4 expressed in baculovirus expression system by lantha screen kinase binding assay


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50154341
PNG
(CHEMBL3775754)
Show SMILES O=C1NC(=S)N\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H7N3OS2/c15-10-8(13-11(16)14-10)3-6-1-2-7-9(4-6)17-5-12-7/h1-5H,(H2,13,14,15,16)/b8-3-
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n/an/a 20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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n/an/a 32n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged CLK4 expressed in baculovirus expression system by lantha screen kinase binding assay


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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n/an/a 40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50154348
PNG
(CHEMBL3774704)
Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+
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n/an/a 60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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n/an/a 70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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n/an/a 70n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 87n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK3 expressed in baculovirus expression system by lantha screen kinase binding assay


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154344
PNG
(CHEMBL3774830)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2OCCc2c1
Show InChI InChI=1S/C12H9NO2S2/c14-11-10(17-12(16)13-11)6-7-1-2-9-8(5-7)3-4-15-9/h1-2,5-6H,3-4H2,(H,13,14,16)/b10-6-
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n/an/a 100n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50324735
PNG
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 103n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
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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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154348
PNG
(CHEMBL3774704)
Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
myosin light chain kinase 2


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 157n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged MLCK expressed in baculovirus expression system by lantha screen kinase binding ass...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154349
PNG
(CHEMBL3775111)
Show SMILES CC1C\C(=C/c2ccc3OCCc3c2)C(=O)O1
Show InChI InChI=1/C14H14O3/c1-9-6-12(14(15)17-9)8-10-2-3-13-11(7-10)4-5-16-13/h2-3,7-9H,4-6H2,1H3/b12-8+
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50154345
PNG
(CHEMBL3775538)
Show SMILES CC1C\C(=C/c2ccc3ncsc3c2)C(=O)O1
Show InChI InChI=1/C13H11NO2S/c1-8-4-10(13(15)16-8)5-9-2-3-11-12(6-9)17-7-14-11/h2-3,5-8H,4H2,1H3/b10-5+
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(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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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154348
PNG
(CHEMBL3774704)
Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+
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n/an/a 200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-inducible EGFP-DYRK1A (unknown origin) expressed in HEK293 cells coexpressing full length human EGFP-tau protein assessed ...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificty 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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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154351
PNG
(CHEMBL3775949)
Show SMILES COc1ccc(\C=C2\SC(=S)NC2=O)cc1
Show InChI InChI=1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6+
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50154343
PNG
(CHEMBL3775393)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H6N2OS3/c14-10-9(17-11(15)13-10)4-6-1-2-7-8(3-6)16-5-12-7/h1-5H,(H,13,14,15)/b9-4-
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Haspin (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50154342
PNG
(CHEMBL3774448)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-8-3-4-10-9(6-8)2-1-5-14-10/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 259n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Haspin (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50154344
PNG
(CHEMBL3774830)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2OCCc2c1
Show InChI InChI=1S/C12H9NO2S2/c14-11-10(17-12(16)13-11)6-7-1-2-9-8(5-7)3-4-15-9/h1-2,5-6H,3-4H2,(H,13,14,16)/b10-6-
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
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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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-inducible EGFP-DYRK1A (unknown origin) expressed in HEK293 cells coexpressing full length human EGFP-tau protein assessed ...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50154349
PNG
(CHEMBL3775111)
Show SMILES CC1C\C(=C/c2ccc3OCCc3c2)C(=O)O1
Show InChI InChI=1/C14H14O3/c1-9-6-12(14(15)17-9)8-10-2-3-13-11(7-10)4-5-16-13/h2-3,7-9H,4-6H2,1H3/b12-8+
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50154344
PNG
(CHEMBL3774830)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2OCCc2c1
Show InChI InChI=1S/C12H9NO2S2/c14-11-10(17-12(16)13-11)6-7-1-2-9-8(5-7)3-4-15-9/h1-2,5-6H,3-4H2,(H,13,14,16)/b10-6-
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154346
PNG
(CHEMBL3193172)
Show SMILES O=C1OCC\C1=C/c1ccc2OCOc2c1
Show InChI InChI=1S/C12H10O4/c13-12-9(3-4-14-12)5-8-1-2-10-11(6-8)16-7-15-10/h1-2,5-6H,3-4,7H2/b9-5+
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50154349
PNG
(CHEMBL3775111)
Show SMILES CC1C\C(=C/c2ccc3OCCc3c2)C(=O)O1
Show InChI InChI=1/C14H14O3/c1-9-6-12(14(15)17-9)8-10-2-3-13-11(7-10)4-5-16-13/h2-3,7-9H,4-6H2,1H3/b12-8+
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n/an/a 650n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154341
PNG
(CHEMBL3775754)
Show SMILES O=C1NC(=S)N\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H7N3OS2/c15-10-8(13-11(16)14-10)3-6-1-2-7-9(4-6)17-5-12-7/h1-5H,(H2,13,14,15,16)/b8-3-
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n/an/a 700n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50154350
PNG
(CHEMBL3775821)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCc2c1
Show InChI InChI=1S/C13H12O3/c14-13-11(4-6-16-13)8-9-1-2-12-10(7-9)3-5-15-12/h1-2,7-8H,3-6H2/b11-8+
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n/an/a 820n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154347
PNG
(CHEMBL3774696)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCOc2c1
Show InChI InChI=1S/C13H12O4/c14-13-10(3-4-17-13)7-9-1-2-11-12(8-9)16-6-5-15-11/h1-2,7-8H,3-6H2/b10-7+
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n/an/a 880n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50154341
PNG
(CHEMBL3775754)
Show SMILES O=C1NC(=S)N\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C11H7N3OS2/c15-10-8(13-11(16)14-10)3-6-1-2-7-9(4-6)17-5-12-7/h1-5H,(H2,13,14,15,16)/b8-3-
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n/an/a 900n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154354
PNG
(CHEMBL3775193)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCCc2c1
Show InChI InChI=1S/C14H14O3/c15-14-12(5-7-17-14)9-10-3-4-13-11(8-10)2-1-6-16-13/h3-4,8-9H,1-2,5-7H2/b12-9+
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n/an/a 930n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154350
PNG
(CHEMBL3775821)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCc2c1
Show InChI InChI=1S/C13H12O3/c14-13-11(4-6-16-13)8-9-1-2-12-10(7-9)3-5-15-12/h1-2,7-8H,3-6H2/b11-8+
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n/an/a 960n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
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