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SMILES: CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1

InChI Key: InChIKey=NMUDZNRXZXDYEQ-UHFFFAOYSA-N

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 24 hits for monomerid = 50530417   
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


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 20n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin) by TR-FRET assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/an/a 9.59E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 9n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) by ADP assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 6n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) by TR-FRET assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 6n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) by TR-FRET assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 9n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) by ADP assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 273n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 37n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 1.19E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 9.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 7.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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n/an/a 4.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 4


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50530417
PNG
(CHEMBL4441878)
Show SMILES CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H18N6/c1-8(2)21-9(3)18-12-5-4-11(19-15(12)21)10-6-13(16)20-14(17)7-10/h4-8H,1-3H3,(H4,16,17,20)
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Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin) by TR-FRET assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair