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BDBM50443641 CHEMBL3092860

SMILES: O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1

InChI Key: InChIKey=PBNKEANYJCQEQI-UHFFFAOYSA-N

Data: 11 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50443641   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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-Dependent Kinase 9 (CDK9)


(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 (CDK5)


(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-regulated kinases 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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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
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
Cyclin-Dependent Kinase 2 (CDK2)


(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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NCI pathway
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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