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PubMed code 26701387

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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 protein kinase CLK1


(Homo sapiens (Human))
BDBM181050
PNG
(3A5)
Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1
Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)
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n/an/a 51n/an/an/an/an/an/a



University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM181050
PNG
(3A5)
Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1
Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)
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n/an/a 68n/an/an/an/an/an/a



University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM181052
PNG
(5F4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1
Show InChI InChI=1S/C20H18N4O4S4/c1-29-20-22-15-7-6-14-16(17(15)31-20)30-19(21-14)23-18(25)12-2-4-13(5-3-12)32(26,27)24-8-10-28-11-9-24/h2-7H,8-11H2,1H3,(H,21,23,25)
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University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM181051
PNG
(5E4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1
Show InChI InChI=1S/C14H9N3O2S3/c1-20-14-16-8-5-4-7-10(11(8)22-14)21-13(15-7)17-12(18)9-3-2-6-19-9/h2-6H,1H3,(H,15,17,18)
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University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM181052
PNG
(5F4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1
Show InChI InChI=1S/C20H18N4O4S4/c1-29-20-22-15-7-6-14-16(17(15)31-20)30-19(21-14)23-18(25)12-2-4-13(5-3-12)32(26,27)24-8-10-28-11-9-24/h2-7H,8-11H2,1H3,(H,21,23,25)
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University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM181050
PNG
(3A5)
Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1
Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)
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University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM181052
PNG
(5F4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1
Show InChI InChI=1S/C20H18N4O4S4/c1-29-20-22-15-7-6-14-16(17(15)31-20)30-19(21-14)23-18(25)12-2-4-13(5-3-12)32(26,27)24-8-10-28-11-9-24/h2-7H,8-11H2,1H3,(H,21,23,25)
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Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM181051
PNG
(5E4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1
Show InChI InChI=1S/C14H9N3O2S3/c1-20-14-16-8-5-4-7-10(11(8)22-14)21-13(15-7)17-12(18)9-3-2-6-19-9/h2-6H,1H3,(H,15,17,18)
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Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM181051
PNG
(5E4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1
Show InChI InChI=1S/C14H9N3O2S3/c1-20-14-16-8-5-4-7-10(11(8)22-14)21-13(15-7)17-12(18)9-3-2-6-19-9/h2-6H,1H3,(H,15,17,18)
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University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM181050
PNG
(3A5)
Show SMILES Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1
Show InChI InChI=1S/C17H10N4OS3/c1-8-19-11-4-5-12-14(15(11)24-8)20-17(25-12)21-16(22)9-2-3-10-13(6-9)23-7-18-10/h2-7H,1H3,(H,20,21,22)
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University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM181049
PNG
(NR9)
Show SMILES O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
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Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM181049
PNG
(NR9)
Show SMILES O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
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Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM181049
PNG
(NR9)
Show SMILES O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
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University College London



Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM181051
PNG
(5E4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1
Show InChI InChI=1S/C14H9N3O2S3/c1-20-14-16-8-5-4-7-10(11(8)22-14)21-13(15-7)17-12(18)9-3-2-6-19-9/h2-6H,1H3,(H,15,17,18)
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Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM181049
PNG
(NR9)
Show SMILES O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
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Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM181052
PNG
(5F4)
Show SMILES CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1
Show InChI InChI=1S/C20H18N4O4S4/c1-29-20-22-15-7-6-14-16(17(15)31-20)30-19(21-14)23-18(25)12-2-4-13(5-3-12)32(26,27)24-8-10-28-11-9-24/h2-7H,8-11H2,1H3,(H,21,23,25)
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Assay Description
For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, c...


Biochemistry 55: 608-17 (2016)


Article DOI: 10.1021/acs.biochem.5b01128
BindingDB Entry DOI: 10.7270/Q2N58K5J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%