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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.4
BDBM50021391

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

Found 5 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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50021391
PNG
(CHEMBL3289596)
Show SMILES O=C(\C=C\c1cccc2c3CC(=O)Nc4ncccc4-c3[nH]c12)c1ccccc1
Show InChI InChI=1S/C24H17N3O2/c28-20(15-6-2-1-3-7-15)12-11-16-8-4-9-17-19-14-21(29)26-24-18(10-5-13-25-24)23(19)27-22(16)17/h1-13,27H,14H2,(H,25,26,29)/b12-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin E


Eur J Med Chem 83: 274-83 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.020
BindingDB Entry DOI: 10.7270/Q2WW7K8X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50021391
PNG
(CHEMBL3289596)
Show SMILES O=C(\C=C\c1cccc2c3CC(=O)Nc4ncccc4-c3[nH]c12)c1ccccc1
Show InChI InChI=1S/C24H17N3O2/c28-20(15-6-2-1-3-7-15)12-11-16-8-4-9-17-19-14-21(29)26-24-18(10-5-13-25-24)23(19)27-22(16)17/h1-13,27H,14H2,(H,25,26,29)/b12-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Eur J Med Chem 83: 274-83 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.020
BindingDB Entry DOI: 10.7270/Q2WW7K8X
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50021391
PNG
(CHEMBL3289596)
Show SMILES O=C(\C=C\c1cccc2c3CC(=O)Nc4ncccc4-c3[nH]c12)c1ccccc1
Show InChI InChI=1S/C24H17N3O2/c28-20(15-6-2-1-3-7-15)12-11-16-8-4-9-17-19-14-21(29)26-24-18(10-5-13-25-24)23(19)27-22(16)17/h1-13,27H,14H2,(H,25,26,29)/b12-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A


Eur J Med Chem 83: 274-83 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.020
BindingDB Entry DOI: 10.7270/Q2WW7K8X
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50021391
PNG
(CHEMBL3289596)
Show SMILES O=C(\C=C\c1cccc2c3CC(=O)Nc4ncccc4-c3[nH]c12)c1ccccc1
Show InChI InChI=1S/C24H17N3O2/c28-20(15-6-2-1-3-7-15)12-11-16-8-4-9-17-19-14-21(29)26-24-18(10-5-13-25-24)23(19)27-22(16)17/h1-13,27H,14H2,(H,25,26,29)/b12-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1


Eur J Med Chem 83: 274-83 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.020
BindingDB Entry DOI: 10.7270/Q2WW7K8X
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50021391
PNG
(CHEMBL3289596)
Show SMILES O=C(\C=C\c1cccc2c3CC(=O)Nc4ncccc4-c3[nH]c12)c1ccccc1
Show InChI InChI=1S/C24H17N3O2/c28-20(15-6-2-1-3-7-15)12-11-16-8-4-9-17-19-14-21(29)26-24-18(10-5-13-25-24)23(19)27-22(16)17/h1-13,27H,14H2,(H,25,26,29)/b12-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T


Eur J Med Chem 83: 274-83 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.020
BindingDB Entry DOI: 10.7270/Q2WW7K8X
More data for this
Ligand-Target Pair