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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 263.2
BDBM50443641

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 11 hits in this display   
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 CLK3


(Mus musculus)
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK3 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma-33P]-ATP after 30 mins by scintillation counting


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3


(Homo sapiens (Human))
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK3 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1B expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using [gamma-33P]-ATP after 30 mins by scintillation counting


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50443641
PNG
(CHEMBL3092860)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
Show InChI InChI=1S/C16H13N3O/c20-15-14(11-12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 62: 728-37 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.035
BindingDB Entry DOI: 10.7270/Q2T1553Q
More data for this
Ligand-Target Pair