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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'mariano' and Initial = 'm'   
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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


(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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta 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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity 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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50026598
PNG
(CHEMBL3335356)
Show SMILES Cc1ccc(cc1O)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C16H12O3S/c1-9-2-3-10(7-13(9)18)16(19)15-8-11-6-12(17)4-5-14(11)20-15/h2-8,17-18H,1H3
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n/an/a 50n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50026608
PNG
(CHEMBL3335358)
Show SMILES Oc1ccc(F)c(c1)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C15H9FO3S/c16-12-3-1-10(18)7-11(12)15(19)14-6-8-5-9(17)2-4-13(8)20-14/h1-7,17-18H
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n/an/a 50n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50026620
PNG
(CHEMBL3335363)
Show SMILES CC(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C10H8O2S/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-5,12H,1H3
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n/an/a 60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity 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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 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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n/an/a 80n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity protein kinase 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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50026621
PNG
(CHEMBL3335365)
Show SMILES CON(C)C(=O)c1cc2cc(OC)ccc2s1
Show InChI InChI=1S/C12H13NO3S/c1-13(16-3)12(14)11-7-8-6-9(15-2)4-5-10(8)17-11/h4-7H,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificity 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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n/an/a 100n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50026599
PNG
(CHEMBL3335350)
Show SMILES Oc1cccc(c1)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C15H10O3S/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17)4-5-13(10)19-14/h1-8,16-17H
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
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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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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))		BDBM50026620
PNG
(CHEMBL3335363)
Show SMILES CC(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C10H8O2S/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-5,12H,1H3
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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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n/an/a 130n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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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n/an/a 130n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Myosin light chain kinase 2, skeletal/cardiac muscle


(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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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=1S/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 170n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50026622
PNG
(CHEMBL408982)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O
Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
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n/an/a 170n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50154345
PNG
(CHEMBL3775538)
Show SMILES CC1C\C(=C/c2ccc3ncsc3c2)C(=O)O1
Show InChI InChI=1S/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 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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n/an/a 180n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))		BDBM50026598
PNG
(CHEMBL3335356)
Show SMILES Cc1ccc(cc1O)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C16H12O3S/c1-9-2-3-10(7-13(9)18)16(19)15-8-11-6-12(17)4-5-14(11)20-15/h2-8,17-18H,1H3
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n/an/a 195n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17-betaHSD1 (unknown origin)

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
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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n/an/a 200n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM50026598
PNG
(CHEMBL3335356)
Show SMILES Cc1ccc(cc1O)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C16H12O3S/c1-9-2-3-10(7-13(9)18)16(19)15-8-11-6-12(17)4-5-14(11)20-15/h2-8,17-18H,1H3
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n/an/a 200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1A (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM50026620
PNG
(CHEMBL3335363)
Show SMILES CC(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C10H8O2S/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-5,12H,1H3
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n/an/a 200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1A (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50026611
PNG
(CHEMBL3335361)
Show SMILES Oc1ccc2sc(cc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10O2S/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9,16H
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n/an/a 200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))		BDBM50026599
PNG
(CHEMBL3335350)
Show SMILES Oc1cccc(c1)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C15H10O3S/c16-11-3-1-2-9(6-11)15(18)14-8-10-7-12(17)4-5-13(10)19-14/h1-8,16-17H
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n/an/a 200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))		BDBM50026598
PNG
(CHEMBL3335356)
Show SMILES Cc1ccc(cc1O)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C16H12O3S/c1-9-2-3-10(7-13(9)18)16(19)15-8-11-6-12(17)4-5-14(11)20-15/h2-8,17-18H,1H3
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n/an/a 200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate

ACS Med Chem Lett 5: 963-7 (2014)


Article DOI: 10.1021/ml500059y
BindingDB Entry DOI: 10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificity 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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n/an/a 200n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
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 220n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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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n/an/a 250n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
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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n/an/a 255n/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)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
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