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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 240.2
BDBM50567047
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 33 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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 76n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 219n/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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 220n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length GST-tagged human DYRK1A phosphorylation expressed in baculovirus expression system in presence of [gamma-33P]ATP by radiome...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 236n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 319n/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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 464n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 590n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DYRK1A-mediated tau phosphorylation expressed in HEK293 cells incubated for 2 hrs by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 1.33E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 2.97E+3n/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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 3.27E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 4.45E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 4


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 9.59E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 9.67E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a>1.00E+4n/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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/an/a 0.240n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/an/a 5.40n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WNK2


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/an/a 1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length WNK2 (V47 to D482 residues) expressed in mammalian expression system measured after 1 hr by compet...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
STE20/SPS1-related proline-alanine-rich protein kinase


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/an/a 1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length STK39 (P43 to I357 residues) expressed in mammalian expression system measured after 1 hr by compe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/an/a 1.80E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length JAK3 JH1 catalytic domain (I781 to S1124 residues) expressed in mammalian expression system measur...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1B


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/an/a 1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length CAMK1B (W9 to A311 residues) expressed in mammalian expression system measured after 1 hr by compe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/an/a 1.80E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length MKNK2 (G63 to S388 residues) expressed in mammalian expression system measured after 1 hr by compe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 2


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/an/a 1.20E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length HIPK2 (M153 to S564 residues) expressed in mammalian expression system measured after 1 hr by comp...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/an/a 360n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human full length DYRK2 (M1 to S528 residues) expressed in mammalian expression system measured after 1 hr by competiti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/an/a 220n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length CLK2 (D144 to R498 residues) expressed in bacterial expression system measured after 1 hr by compe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/an/a 70n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human full length CLK1 (M1 to I484 residues) expressed in bacterial expression system measured after 1 hr by competitiv...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/an/a 61n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length CLK4 (R135 to K481 residues) expressed in bacterial expression system measured after 1 hr by compe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/an/a 56n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human full length DYRK1B (M1 to S629 residues) expressed in bacterial expression system measured after 1 hr by competit...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/an/a 15n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length HASPIN (I452 to K798 residues) expressed in mammalian expression system measured after 1 hr by com...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/an/a 3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system measured after 1 hr by com...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/an/a 85n/an/an/an/an/a


TBA

Assay Description
Binding affinity to biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant measured up to 5 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
MMDB

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n/an/an/a>1.00E+4n/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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/an/an/an/a 0.240n/an/an/a


TBA

Assay Description
Binding affinity to biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate constant measured up ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)