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BDBM50443637 CHEMBL3092864

SMILES: NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1

InChI Key: InChIKey=CQNULDWOIXHYFM-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 = 50443637   
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)
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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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)
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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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)
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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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))
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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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))
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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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)
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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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))
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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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))
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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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))
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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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))
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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n/an/a 8.50E+3n/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))
BDBM50443637
PNG
(CHEMBL3092864)
Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
Show InChI InChI=1S/C22H26N4O4/c23-10-11-28-12-13-29-14-15-30-19-8-6-18(7-9-19)24-22-25-20(21(27)26-22)16-17-4-2-1-3-5-17/h1-9,16H,10-15,23H2,(H2,24,25,26,27)
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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