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Compile Data Set for Download or QSAR

Found 1258 hits with Last Name = 'villiers' and Initial = 'b'   
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))
BDBM50594797
PNG
(CHEMBL5195216)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/C3=COc4ccccc4O3)C(=O)N2)cc1 |t:13,17|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50594797
PNG
(CHEMBL5195216)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/C3=COc4ccccc4O3)C(=O)N2)cc1 |t:13,17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3


(Homo sapiens (Human))
BDBM50594790
PNG
(CHEMBL5200518)
Show SMILES COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)ccc1O |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50347746
PNG
(CHEMBL1803085)
Show SMILES Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C17H13N3O4/c21-12-4-2-11(3-5-12)18-17-19-13(16(22)20-17)7-10-1-6-14-15(8-10)24-9-23-14/h1-8,21H,9H2,(H2,18,19,20,22)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50594785
PNG
(CHEMBL5181008)
Show SMILES Oc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1F |t:6|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594790
PNG
(CHEMBL5200518)
Show SMILES COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)ccc1O |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50594796
PNG
(CHEMBL5179655)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:13|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50594785
PNG
(CHEMBL5181008)
Show SMILES Oc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1F |t:6|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50594790
PNG
(CHEMBL5200518)
Show SMILES COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)ccc1O |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50347746
PNG
(CHEMBL1803085)
Show SMILES Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C17H13N3O4/c21-12-4-2-11(3-5-12)18-17-19-13(16(22)20-17)7-10-1-6-14-15(8-10)24-9-23-14/h1-8,21H,9H2,(H2,18,19,20,22)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50594790
PNG
(CHEMBL5200518)
Show SMILES COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)ccc1O |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3


(Homo sapiens (Human))
BDBM50594797
PNG
(CHEMBL5195216)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/C3=COc4ccccc4O3)C(=O)N2)cc1 |t:13,17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50594796
PNG
(CHEMBL5179655)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:13|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50594790
PNG
(CHEMBL5200518)
Show SMILES COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)ccc1O |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50594785
PNG
(CHEMBL5181008)
Show SMILES Oc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1F |t:6|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594796
PNG
(CHEMBL5179655)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:13|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50594797
PNG
(CHEMBL5195216)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/C3=COc4ccccc4O3)C(=O)N2)cc1 |t:13,17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50347745
PNG
(CHEMBL1803084)
Show SMILES Cc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C18H15N3O3/c1-11-2-5-13(6-3-11)19-18-20-14(17(22)21-18)8-12-4-7-15-16(9-12)24-10-23-15/h2-9H,10H2,1H3,(H2,19,20,21,22)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50347746
PNG
(CHEMBL1803085)
Show SMILES Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C17H13N3O4/c21-12-4-2-11(3-5-12)18-17-19-13(16(22)20-17)7-10-1-6-14-15(8-10)24-9-23-14/h1-8,21H,9H2,(H2,18,19,20,22)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594785
PNG
(CHEMBL5181008)
Show SMILES Oc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1F |t:6|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50594784
PNG
(CHEMBL5196066)
Show SMILES Fc1cccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c1 |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594797
PNG
(CHEMBL5195216)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/C3=COc4ccccc4O3)C(=O)N2)cc1 |t:13,17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50594790
PNG
(CHEMBL5200518)
Show SMILES COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)ccc1O |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50594769
PNG
(CHEMBL5199422)
Show SMILES [2H]C1([2H])Oc2ccc(\C=C3/N=C(Nc4ccccc4)NC3=O)cc2O1 |t:10|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50594797
PNG
(CHEMBL5195216)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/C3=COc4ccccc4O3)C(=O)N2)cc1 |t:13,17|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50594768
PNG
(CHEMBL5195122)
Show SMILES COc1cc(\C=C2/N=C(Nc3ccccc3)NC2=O)ccc1O |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50594765
PNG
(CHEMBL5208980)
Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594774
PNG
(CHEMBL5194491)
Show SMILES CCCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:4|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50594788
PNG
(CHEMBL5179457)
Show SMILES Cc1ccc(C)c(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c1 |t:8|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347746
PNG
(CHEMBL1803085)
Show SMILES Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C17H13N3O4/c21-12-4-2-11(3-5-12)18-17-19-13(16(22)20-17)7-10-1-6-14-15(8-10)24-9-23-14/h1-8,21H,9H2,(H2,18,19,20,22)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594788
PNG
(CHEMBL5179457)
Show SMILES Cc1ccc(C)c(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c1 |t:8|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50594796
PNG
(CHEMBL5179655)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:13|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50594785
PNG
(CHEMBL5181008)
Show SMILES Oc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1F |t:6|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50259589
PNG
(CHEMBL4065432)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1 |r|
Show InChI InChI=1S/C17H19N5O2/c1-2-14(11-23)20-16-6-7-17-18-10-15(22(17)21-16)13-5-3-4-12(8-13)9-19-24/h3-10,14,23-24H,2,11H2,1H3,(H,20,21)/b19-9+/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594768
PNG
(CHEMBL5195122)
Show SMILES COc1cc(\C=C2/N=C(Nc3ccccc3)NC2=O)ccc1O |t:7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594771
PNG
(CHEMBL5181355)
Show SMILES CCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:3|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50594784
PNG
(CHEMBL5196066)
Show SMILES Fc1cccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c1 |t:7|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50594788
PNG
(CHEMBL5179457)
Show SMILES Cc1ccc(C)c(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c1 |t:8|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50347746
PNG
(CHEMBL1803085)
Show SMILES Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C17H13N3O4/c21-12-4-2-11(3-5-12)18-17-19-13(16(22)20-17)7-10-1-6-14-15(8-10)24-9-23-14/h1-8,21H,9H2,(H2,18,19,20,22)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50259589
PNG
(CHEMBL4065432)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1 |r|
Show InChI InChI=1S/C17H19N5O2/c1-2-14(11-23)20-16-6-7-17-18-10-15(22(17)21-16)13-5-3-4-12(8-13)9-19-24/h3-10,14,23-24H,2,11H2,1H3,(H,20,21)/b19-9+/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3


(Homo sapiens (Human))
BDBM50594796
PNG
(CHEMBL5179655)
Show SMILES CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:13|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50259415
PNG
(CHEMBL4061526)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50594773
PNG
(CHEMBL5206143)
Show SMILES CCCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:4|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50594783
PNG
(CHEMBL5180765)
Show SMILES Fc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:6|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50259415
PNG
(CHEMBL4061526)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
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