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BDBM50097863 CHEMBL3589674

SMILES: COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1

InChI Key: InChIKey=VCFPJHJKTXRDGD-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 = 50097863   
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 CLK1


(Mus musculus)
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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n/an/a 220n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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n/an/a 510n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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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 CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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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 CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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UniChem
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n/an/a 1.90E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


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


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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n/an/a 41n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


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


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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n/an/a 79n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


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


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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n/an/a 30n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


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


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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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 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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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 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9 expressed in insect cells using CDK7/9 tide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair