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Compile Data Set for Download or QSAR

Found 378 hits with Last Name = 'rosenthal' and Initial = 'as'   
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 specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342926
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-(thiophen-...)
Show SMILES CN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O2S/c1-24(11-16-3-2-8-27-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)26-13-25-19/h2-10,12H,11,13H2,1H3
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n/an/a 11n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342916
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...)
Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342926
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-(thiophen-...)
Show SMILES CN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O2S/c1-24(11-16-3-2-8-27-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)26-13-25-19/h2-10,12H,11,13H2,1H3
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n/an/a 12n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
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/a 12n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342927
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-ethyl-N-(thiophen-2...)
Show SMILES CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-2-25(12-17-4-3-9-28-17)22-18-10-15(5-7-19(18)23-13-24-22)16-6-8-20-21(11-16)27-14-26-20/h3-11,13H,2,12,14H2,1H3
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n/an/a 14n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342916
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...)
Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342927
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-ethyl-N-(thiophen-2...)
Show SMILES CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-2-25(12-17-4-3-9-28-17)22-18-10-15(5-7-19(18)23-13-24-22)16-6-8-20-21(11-16)27-14-26-20/h3-11,13H,2,12,14H2,1H3
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n/an/a 14n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342900
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((5-methylfuran-2-y...)
Show SMILES Cc1ccc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)o1
Show InChI InChI=1S/C21H17N3O3/c1-13-2-5-16(27-13)10-22-21-17-8-14(3-6-18(17)23-11-24-21)15-4-7-19-20(9-15)26-12-25-19/h2-9,11H,10,12H2,1H3,(H,22,23,24)
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n/an/a 15n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342896
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-neopentylquinazolin...)
Show SMILES CC(C)(C)CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H21N3O2/c1-20(2,3)10-21-19-15-8-13(4-6-16(15)22-11-23-19)14-5-7-17-18(9-14)25-12-24-17/h4-9,11H,10,12H2,1-3H3,(H,21,22,23)
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n/an/a 17n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323 | US9802904, 87)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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US Patent
n/an/a 17n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342916
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...)
Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342897
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-(thiazol-2...)
Show SMILES CN(Cc1nccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H16N4O2S/c1-24(10-19-21-6-7-27-19)20-15-8-13(2-4-16(15)22-11-23-20)14-3-5-17-18(9-14)26-12-25-17/h2-9,11H,10,12H2,1H3
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n/an/a 20n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342901
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)-...)
Show SMILES CN(Cc1ccco1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-24(11-16-3-2-8-25-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)27-13-26-19/h2-10,12H,11,13H2,1H3
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n/an/a 22n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50342916
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...)
Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1B kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342919
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((4-methyl...)
Show SMILES CN(Cc1nc(C)cs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H18N4O2S/c1-13-10-28-20(24-13)9-25(2)21-16-7-14(3-5-17(16)22-11-23-21)15-4-6-18-19(8-15)27-12-26-18/h3-8,10-11H,9,12H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
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/a 27n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342897
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-(thiazol-2...)
Show SMILES CN(Cc1nccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H16N4O2S/c1-24(10-19-21-6-7-27-19)20-15-8-13(2-4-16(15)22-11-23-20)14-3-5-17-18(9-14)26-12-25-17/h2-9,11H,10,12H2,1H3
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n/an/a 28n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342915
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydrofuran-2...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCO1
Show InChI InChI=1S/C20H19N3O3/c1-2-15(24-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)26-12-25-18/h3-6,8-9,11,15H,1-2,7,10,12H2,(H,21,22,23)
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n/an/a 29n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342907
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((3-methyl...)
Show SMILES CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-14-7-8-28-21(14)11-25(2)22-17-9-15(3-5-18(17)23-12-24-22)16-4-6-19-20(10-16)27-13-26-19/h3-10,12H,11,13H2,1-2H3
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n/an/a 29n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342915
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydrofuran-2...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCO1
Show InChI InChI=1S/C20H19N3O3/c1-2-15(24-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)26-12-25-18/h3-6,8-9,11,15H,1-2,7,10,12H2,(H,21,22,23)
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n/an/a 30n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342926
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-(thiophen-...)
Show SMILES CN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O2S/c1-24(11-16-3-2-8-27-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)26-13-25-19/h2-10,12H,11,13H2,1H3
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n/an/a 31n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352028
PNG
(US9802904, 89)
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US Patent
n/an/a 34n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342908
PNG
(CHEMBL1407164 | N-((1H-imidazol-2-yl)methyl)-6-(be...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ncc[nH]1
Show InChI InChI=1S/C19H15N5O2/c1-3-15-14(19(24-10-23-15)22-9-18-20-5-6-21-18)7-12(1)13-2-4-16-17(8-13)26-11-25-16/h1-8,10H,9,11H2,(H,20,21)(H,22,23,24)
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n/an/a 34n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342891
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((3-methylthiophen-...)
Show SMILES Cc1ccsc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O2S/c1-13-6-7-27-20(13)10-22-21-16-8-14(2-4-17(16)23-11-24-21)15-3-5-18-19(9-15)26-12-25-18/h2-9,11H,10,12H2,1H3,(H,22,23,24)
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n/an/a 35n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342891
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((3-methylthiophen-...)
Show SMILES Cc1ccsc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O2S/c1-13-6-7-27-20(13)10-22-21-16-8-14(2-4-17(16)23-11-24-21)15-3-5-18-19(9-15)26-12-25-18/h2-9,11H,10,12H2,1H3,(H,22,23,24)
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n/an/a 35n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342901
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)-...)
Show SMILES CN(Cc1ccco1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-24(11-16-3-2-8-25-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)27-13-26-19/h2-10,12H,11,13H2,1H3
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n/an/a 36n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342919
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((4-methyl...)
Show SMILES CN(Cc1nc(C)cs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H18N4O2S/c1-13-10-28-20(24-13)9-25(2)21-16-7-14(3-5-17(16)22-11-23-21)15-4-6-18-19(8-15)27-12-26-18/h3-8,10-11H,9,12H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342927
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-ethyl-N-(thiophen-2...)
Show SMILES CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O2S/c1-2-25(12-17-4-3-9-28-17)22-18-10-15(5-7-19(18)23-13-24-22)16-6-8-20-21(11-16)27-14-26-20/h3-11,13H,2,12,14H2,1H3
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n/an/a 38n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
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 38n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
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/a 39n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342900
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((5-methylfuran-2-y...)
Show SMILES Cc1ccc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)o1
Show InChI InChI=1S/C21H17N3O3/c1-13-2-5-16(27-13)10-22-21-17-8-14(3-6-18(17)23-11-24-21)15-4-7-19-20(9-15)26-12-25-19/h2-9,11H,10,12H2,1H3,(H,22,23,24)
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n/an/a 39n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/a 40n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342903
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(2-(furan-2-yl)ethy...)
Show SMILES C(Cc1ccco1)Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-2-16(25-9-1)7-8-22-21-17-10-14(3-5-18(17)23-12-24-21)15-4-6-19-20(11-15)27-13-26-19/h1-6,9-12H,7-8,13H2,(H,22,23,24)
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n/an/a 42n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352011
PNG
(US9802904, 72)
PDB
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US Patent
n/an/a 43n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350387
PNG
(US9802904, 60)
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n/an/a 43n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342912
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((5-methyl...)
Show SMILES CN(Cc1nnc(C)o1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H17N5O3/c1-12-23-24-19(28-12)9-25(2)20-15-7-13(3-5-16(15)21-10-22-20)14-4-6-17-18(8-14)27-11-26-17/h3-8,10H,9,11H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342918
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylfuran-3-y...)
Show SMILES Cc1occc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-13-16(6-7-25-13)10-22-21-17-8-14(2-4-18(17)23-11-24-21)15-3-5-19-20(9-15)27-12-26-19/h2-9,11H,10,12H2,1H3,(H,22,23,24)
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n/an/a 47n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352013
PNG
(US9802904, 74)
PDB
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n/an/a 48n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50342919
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((4-methyl...)
Show SMILES CN(Cc1nc(C)cs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H18N4O2S/c1-13-10-28-20(24-13)9-25(2)21-16-7-14(3-5-17(16)22-11-23-21)15-4-6-18-19(8-15)27-12-26-18/h3-8,10-11H,9,12H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1B kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342921
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiazol-2-ylmethyl...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1nccs1
Show InChI InChI=1S/C19H14N4O2S/c1-3-15-14(19(23-10-22-15)21-9-18-20-5-6-26-18)7-12(1)13-2-4-16-17(8-13)25-11-24-16/h1-8,10H,9,11H2,(H,21,22,23)
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n/an/a 50n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342897
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-(thiazol-2...)
Show SMILES CN(Cc1nccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H16N4O2S/c1-24(10-19-21-6-7-27-19)20-15-8-13(2-4-16(15)22-11-23-20)14-3-5-17-18(9-14)26-12-25-17/h2-9,11H,10,12H2,1H3
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n/an/a 51n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342918
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylfuran-3-y...)
Show SMILES Cc1occc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O3/c1-13-16(6-7-25-13)10-22-21-17-8-14(2-4-18(17)23-11-24-21)15-3-5-19-20(9-15)27-12-26-19/h2-9,11H,10,12H2,1H3,(H,22,23,24)
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n/an/a 57n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
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/a 59n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352025
PNG
(US9802904, 86)
PDB
MMDB

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US Patent
n/an/a 61n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM352018
PNG
(US9802904, 79)
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n/an/a 61n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM351737
PNG
(US9802904, 61)
PDB
MMDB

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n/an/a 61n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
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/a 62n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
USP1/UAF1


(Homo sapiens (Human))
BDBM350386
PNG
(US9802904, 59)
PDB
MMDB

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n/an/a 68n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware

US Patent




US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50342891
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((3-methylthiophen-...)
Show SMILES Cc1ccsc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O2S/c1-13-6-7-27-20(13)10-22-21-16-8-14(2-4-17(16)23-11-24-21)15-3-5-18-19(9-15)26-12-25-18/h2-9,11H,10,12H2,1H3,(H,22,23,24)
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n/an/a 69n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50342921
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiazol-2-ylmethyl...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1nccs1
Show InChI InChI=1S/C19H14N4O2S/c1-3-15-14(19(23-10-22-15)21-9-18-20-5-6-26-18)7-12(1)13-2-4-16-17(8-13)25-11-24-16/h1-8,10H,9,11H2,(H,21,22,23)
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n/an/a 70n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
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