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PubMed code 28561591

Compile data set for download or QSAR
Found 20 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 CLK4


(Mus musculus)
BDBM50239782
PNG
(CHEMBL4082113)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged mouse CLK4 using GRSRSRSRSRSR as substrate after 30 mins in presence of [gamma-32P]-ATP by scintillation countin...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50239782
PNG
(CHEMBL4082113)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3
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n/an/a 6.90n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged Clk1 expressed in Escherichia coli using RS repeat substrate peptide after 15 mins in presence of [gamma-3...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50026622
PNG
(CHEMBL408982)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O
Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
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n/an/a 15n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse CLK4 expressed in Escherichia coli using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH as substrate after 10 mins in presence o...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50239782
PNG
(CHEMBL4082113)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged mouse CLK2 using GRSRSRSRSRSR as substrate after 30 mins in presence of [gamma-32P]-ATP by scintillation countin...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50239783
PNG
(CHEMBL4085557)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C18H17NO2S/c1-19(12-13-6-4-3-5-7-13)18(20)17-11-14-10-15(21-2)8-9-16(14)22-17/h3-11H,12H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged Clk1 expressed in Escherichia coli using RS repeat substrate peptide after 15 mins in presence of [gamma-3...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50026622
PNG
(CHEMBL408982)
Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O
Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
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n/an/a 49n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human C-terminus CLK1 (148 to 484 residues) expressed in Escherichia coli BL21(DE3) using AFRREWSPGKEAKK as substrate preincubated for ...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50239788
PNG
(CHEMBL4070477)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccnc1
Show InChI InChI=1S/C17H16N2O2S/c1-19(11-12-4-3-7-18-10-12)17(20)16-9-13-8-14(21-2)5-6-15(13)22-16/h3-10H,11H2,1-2H3
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n/an/a 82n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged Clk1 expressed in Escherichia coli using RS repeat substrate peptide after 15 mins in presence of [gamma-3...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50239785
PNG
(CHEMBL4103654)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H15NO2S/c1-20-14-7-8-15-13(9-14)10-16(21-15)17(19)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,19)
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n/an/a 84n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged Clk1 expressed in Escherichia coli using RS repeat substrate peptide after 15 mins in presence of [gamma-3...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50239786
PNG
(CHEMBL4064016)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H17NO2S/c1-21-15-7-8-16-14(11-15)12-17(22-16)18(20)19-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,19,20)
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n/an/a 107n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged Clk1 expressed in Escherichia coli using RS repeat substrate peptide after 15 mins in presence of [gamma-3...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50239782
PNG
(CHEMBL4082113)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3
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n/an/a 206n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant GST-tagged human DYRK1B expressed in baculovirus using KKISGRLSPIMTEQ-NH2 as substrate after 15 mins


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50239782
PNG
(CHEMBL4082113)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3
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n/an/a 340n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human Dyrk1A expressed in Escherichia coli BL21 (DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50239783
PNG
(CHEMBL4085557)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C18H17NO2S/c1-19(12-13-6-4-3-5-7-13)18(20)17-11-14-10-15(21-2)8-9-16(14)22-17/h3-11H,12H2,1-2H3
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n/an/a 520n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human Dyrk1A expressed in Escherichia coli BL21 (DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15...


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50239782
PNG
(CHEMBL4082113)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of CLK1/4 in human T24 cells assessed as down regulation of EGFR expression after 3 days by Western blot analysis


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50239782
PNG
(CHEMBL4082113)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of CLK1/4 in human MDA-MB-231 cells assessed as down regulation of EGFR expression after 3 days by Western blot analysis


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50239782
PNG
(CHEMBL4082113)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3
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n/an/a 9.50E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of CLK1/4 in human T24 cells assessed as down regulation of HDAC1 expression after 3 days by Western blot analysis


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50239787
PNG
(CHEMBL4094143)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C17H14FNO2S/c1-21-14-5-6-15-12(8-14)9-16(22-15)17(20)19-10-11-3-2-4-13(18)7-11/h2-9H,10H2,1H3,(H,19,20)
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n/an/a>1.50E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of CLK1/4 in human T24 cells assessed as down regulation of HDAC1 expression after 3 days by Western blot analysis


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50239787
PNG
(CHEMBL4094143)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C17H14FNO2S/c1-21-14-5-6-15-12(8-14)9-16(22-15)17(20)19-10-11-3-2-4-13(18)7-11/h2-9H,10H2,1H3,(H,19,20)
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German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of CLK1/4 in human T24 cells assessed as down regulation of EGFR expression after 3 days by Western blot analysis


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50239787
PNG
(CHEMBL4094143)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C17H14FNO2S/c1-21-14-5-6-15-12(8-14)9-16(22-15)17(20)19-10-11-3-2-4-13(18)7-11/h2-9H,10H2,1H3,(H,19,20)
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n/an/a>2.00E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of CLK1/4 in human MDA-MB-231 cells assessed as down regulation of S6 kinase expression after 3 days by Western blot analysis


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50239787
PNG
(CHEMBL4094143)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C17H14FNO2S/c1-21-14-5-6-15-12(8-14)9-16(22-15)17(20)19-10-11-3-2-4-13(18)7-11/h2-9H,10H2,1H3,(H,19,20)
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German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of CLK1/4 in human MDA-MB-231 cells assessed as down regulation of EGFR expression after 3 days by Western blot analysis


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50239782
PNG
(CHEMBL4082113)
Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1
Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of CLK1/4 in human MDA-MB-231 cells assessed as down regulation of S6 kinase expression after 3 days by Western blot analysis


J Med Chem 60: 5377-5391 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%