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PubMed code 19837585

Compile data set for download or QSAR
Found 46 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


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/a 63n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302984
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-3-ylmethyl)q...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ccoc1
Show InChI InChI=1S/C20H15N3O3/c1-3-17-16(20(23-11-22-17)21-9-13-5-6-24-10-13)7-14(1)15-2-4-18-19(8-15)26-12-25-18/h1-8,10-11H,9,12H2,(H,21,22,23)
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n/an/a 63n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302982
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(pyridin-3-ylmethyl...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccnc1
Show InChI InChI=1S/C21H16N4O2/c1-2-14(10-22-7-1)11-23-21-17-8-15(3-5-18(17)24-12-25-21)16-4-6-19-20(9-16)27-13-26-19/h1-10,12H,11,13H2,(H,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302994
PNG
(6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-am...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccco1)c1ccoc1
Show InChI InChI=1S/C17H13N3O2/c1-2-16(22-6-1)13-3-4-15-14(8-13)17(20-11-19-15)18-9-12-5-7-21-10-12/h1-8,10-11H,9H2,(H,18,19,20)
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n/an/a 111n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302983
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(3-fluorobenzyl)qui...)
Show SMILES Fc1cccc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C22H16FN3O2/c23-17-3-1-2-14(8-17)11-24-22-18-9-15(4-6-19(18)25-12-26-22)16-5-7-20-21(10-16)28-13-27-20/h1-10,12H,11,13H2,(H,24,25,26)
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n/an/a 126n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302981
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(3-methylbenzyl)qui...)
Show SMILES Cc1cccc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C23H19N3O2/c1-15-3-2-4-16(9-15)12-24-23-19-10-17(5-7-20(19)25-13-26-23)18-6-8-21-22(11-18)28-14-27-21/h2-11,13H,12,14H2,1H3,(H,24,25,26)
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n/an/a 126n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302993
PNG
(CHEMBL566914 | N-(3-fluorobenzyl)-6-(furan-2-yl)qu...)
Show SMILES Fc1cccc(CNc2ncnc3ccc(cc23)-c2ccco2)c1
Show InChI InChI=1S/C19H14FN3O/c20-15-4-1-3-13(9-15)11-21-19-16-10-14(18-5-2-8-24-18)6-7-17(16)22-12-23-19/h1-10,12H,11H2,(H,21,22,23)
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n/an/a 141n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302990
PNG
(6-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-(thiophe...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCCOc2c1)c1cccs1
Show InChI InChI=1S/C21H17N3O2S/c1-2-16(27-9-1)12-22-21-17-10-14(3-5-18(17)23-13-24-21)15-4-6-19-20(11-15)26-8-7-25-19/h1-6,9-11,13H,7-8,12H2,(H,22,23,24)
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n/an/a 141n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50303000
PNG
(6-(3,5-dimethylisoxazol-4-yl)-N-(thiophen-2-ylmeth...)
Show SMILES Cc1noc(C)c1-c1ccc2ncnc(NCc3cccs3)c2c1
Show InChI InChI=1S/C18H16N4OS/c1-11-17(12(2)23-22-11)13-5-6-16-15(8-13)18(21-10-20-16)19-9-14-4-3-7-24-14/h3-8,10H,9H2,1-2H3,(H,19,20,21)
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n/an/a 158n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302998
PNG
(6-(3,5-dimethylisoxazol-4-yl)-N-(3-fluorobenzyl)qu...)
Show SMILES Cc1noc(C)c1-c1ccc2ncnc(NCc3cccc(F)c3)c2c1
Show InChI InChI=1S/C20H17FN4O/c1-12-19(13(2)26-25-12)15-6-7-18-17(9-15)20(24-11-23-18)22-10-14-4-3-5-16(21)8-14/h3-9,11H,10H2,1-2H3,(H,22,23,24)
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n/an/a 178n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302985
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((4-methylthiophen-...)
Show SMILES Cc1csc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C21H17N3O2S/c1-13-6-16(27-10-13)9-22-21-17-7-14(2-4-18(17)23-11-24-21)15-3-5-19-20(8-15)26-12-25-19/h2-8,10-11H,9,12H2,1H3,(H,22,23,24)
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n/an/a 178n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302991
PNG
(6-(furan-2-yl)-N-(3-methylbenzyl)quinazolin-4-amin...)
Show SMILES Cc1cccc(CNc2ncnc3ccc(cc23)-c2ccco2)c1
Show InChI InChI=1S/C20H17N3O/c1-14-4-2-5-15(10-14)12-21-20-17-11-16(19-6-3-9-24-19)7-8-18(17)22-13-23-20/h2-11,13H,12H2,1H3,(H,21,22,23)
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n/an/a 224n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302995
PNG
(6-(furan-2-yl)-N-(thiophen-2-ylmethyl)quinazolin-4...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccco1)c1cccs1
Show InChI InChI=1S/C17H13N3OS/c1-4-16(21-7-1)12-5-6-15-14(9-12)17(20-11-19-15)18-10-13-3-2-8-22-13/h1-9,11H,10H2,(H,18,19,20)
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n/an/a 250n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302996
PNG
(6-(3,5-dimethylisoxazol-4-yl)-N-(3-methylbenzyl)qu...)
Show SMILES Cc1noc(C)c1-c1ccc2ncnc(NCc3cccc(C)c3)c2c1
Show InChI InChI=1S/C21H20N4O/c1-13-5-4-6-16(9-13)11-22-21-18-10-17(7-8-19(18)23-12-24-21)20-14(2)25-26-15(20)3/h4-10,12H,11H2,1-3H3,(H,22,23,24)
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n/an/a 282n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302988
PNG
(6-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-(pyridin...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCCOc2c1)c1cccnc1
Show InChI InChI=1S/C22H18N4O2/c1-2-15(12-23-7-1)13-24-22-18-10-16(3-5-19(18)25-14-26-22)17-4-6-20-21(11-17)28-9-8-27-20/h1-7,10-12,14H,8-9,13H2,(H,24,25,26)
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n/an/a 447n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302999
PNG
(6-(3,5-dimethylisoxazol-4-yl)-N-((4-methylthiophen...)
Show SMILES Cc1csc(CNc2ncnc3ccc(cc23)-c2c(C)noc2C)c1
Show InChI InChI=1S/C19H18N4OS/c1-11-6-15(25-9-11)8-20-19-16-7-14(4-5-17(16)21-10-22-19)18-12(2)23-24-13(18)3/h4-7,9-10H,8H2,1-3H3,(H,20,21,22)
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n/an/a 501n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302989
PNG
(6-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-((4-meth...)
Show SMILES Cc1csc(CNc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)c1
Show InChI InChI=1S/C22H19N3O2S/c1-14-8-17(28-12-14)11-23-22-18-9-15(2-4-19(18)24-13-25-22)16-3-5-20-21(10-16)27-7-6-26-20/h2-5,8-10,12-13H,6-7,11H2,1H3,(H,23,24,25)
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n/an/a 501n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302987
PNG
(6-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-(3-methy...)
Show SMILES Cc1cccc(CNc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)c1
Show InChI InChI=1S/C24H21N3O2/c1-16-3-2-4-17(11-16)14-25-24-20-12-18(5-7-21(20)26-15-27-24)19-6-8-22-23(13-19)29-10-9-28-22/h2-8,11-13,15H,9-10,14H2,1H3,(H,25,26,27)
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n/an/a 631n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302977
PNG
(CHEMBL568169 | N-(3-fluorobenzyl)-6-(3-methoxyphen...)
Show SMILES COc1cccc(c1)-c1ccc2ncnc(NCc3cccc(F)c3)c2c1
Show InChI InChI=1S/C22H18FN3O/c1-27-19-7-3-5-16(11-19)17-8-9-21-20(12-17)22(26-14-25-21)24-13-15-4-2-6-18(23)10-15/h2-12,14H,13H2,1H3,(H,24,25,26)
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n/an/a 708n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302992
PNG
(6-(furan-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccco1)c1cccnc1
Show InChI InChI=1S/C18H14N4O/c1-3-13(10-19-7-1)11-20-18-15-9-14(17-4-2-8-23-17)5-6-16(15)21-12-22-18/h1-10,12H,11H2,(H,20,21,22)
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n/an/a 794n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302980
PNG
(6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazo...)
Show SMILES COc1cccc(c1)-c1ccc2ncnc(NCc3cccs3)c2c1
Show InChI InChI=1S/C20H17N3OS/c1-24-16-5-2-4-14(10-16)15-7-8-19-18(11-15)20(23-13-22-19)21-12-17-6-3-9-25-17/h2-11,13H,12H2,1H3,(H,21,22,23)
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n/an/a 891n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302997
PNG
(6-(3,5-dimethylisoxazol-4-yl)-N-(pyridin-3-ylmethy...)
Show SMILES Cc1noc(C)c1-c1ccc2ncnc(NCc3cccnc3)c2c1
Show InChI InChI=1S/C19H17N5O/c1-12-18(13(2)25-24-12)15-5-6-17-16(8-15)19(23-11-22-17)21-10-14-4-3-7-20-9-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)
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n/an/a 891n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302978
PNG
(CHEMBL582794 | N-(furan-3-ylmethyl)-6-(3-methoxyph...)
Show SMILES COc1cccc(c1)-c1ccc2ncnc(NCc3ccoc3)c2c1
Show InChI InChI=1S/C20H17N3O2/c1-24-17-4-2-3-15(9-17)16-5-6-19-18(10-16)20(23-13-22-19)21-11-14-7-8-25-12-14/h2-10,12-13H,11H2,1H3,(H,21,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302979
PNG
(6-(3-methoxyphenyl)-N-((4-methylthiophen-2-yl)meth...)
Show SMILES COc1cccc(c1)-c1ccc2ncnc(NCc3cc(C)cs3)c2c1
Show InChI InChI=1S/C21H19N3OS/c1-14-8-18(26-12-14)11-22-21-19-10-16(6-7-20(19)23-13-24-21)15-4-3-5-17(9-15)25-2/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302975
PNG
(6-(3-methoxyphenyl)-N-(3-methylbenzyl)quinazolin-4...)
Show SMILES COc1cccc(c1)-c1ccc2ncnc(NCc3cccc(C)c3)c2c1
Show InChI InChI=1S/C23H21N3O/c1-16-5-3-6-17(11-16)14-24-23-21-13-19(9-10-22(21)25-15-26-23)18-7-4-8-20(12-18)27-2/h3-13,15H,14H2,1-2H3,(H,24,25,26)
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n/an/a 1.12E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302976
PNG
(6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazol...)
Show SMILES COc1cccc(c1)-c1ccc2ncnc(NCc3cccnc3)c2c1
Show InChI InChI=1S/C21H18N4O/c1-26-18-6-2-5-16(10-18)17-7-8-20-19(11-17)21(25-14-24-20)23-13-15-4-3-9-22-12-15/h2-12,14H,13H2,1H3,(H,23,24,25)
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n/an/a 3.55E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/an/a 430n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Dyrk1B assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 130n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to PIM1 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 130n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Dyrk1B assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/an/a 27n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Dyrk1A assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 280n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to PIM3 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 3.00E+3n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk3 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 30n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk4 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/an/a 680n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk2 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 150n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CSNK1D assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/an/a 50n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk4 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/an/a 37n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk1 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Casein kinase I isoform gamma-3


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 290n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CSNK1G3 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 19n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk1 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/an/a 470n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk3 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 12n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Dyrk1A assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 270n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CSNK1G2 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 300n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CSNK1E assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
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n/an/an/a 95n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk2 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
SPS1/STE20-related protein kinase YSK4


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
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
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 290n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Ysk4 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 230n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to EGFR assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%