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Compile Data Set for Download or QSAR

Found 1270 hits Enz. Inhib. hit(s) with Target = 'Cdc2'   
Target
(Institution)
LigandTarget
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
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM107109
PNG
(US8592425, 8)
Show SMILES [NH3+][C@@H]1CCCC(F)(F)C1NC(=O)c1cc(cs1)-c1cnc2cc(cnn12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20F3N5OS/c24-16-5-3-13(4-6-16)14-9-20-28-11-18(31(20)29-10-14)15-8-19(33-12-15)22(32)30-21-17(27)2-1-7-23(21,25)26/h3-6,8-12,17,21H,1-2,7,27H2,(H,30,32)/p+1/t17-,21?/m1/s1
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US Patent
n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
MARK3 activity was assayed in vitro using a Cdc25C biotinylated peptide substrate (Cell Signalling Technologies). The phosphopeptide product was quan...


US Patent US8592425 (2013)

More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435449
PNG
(CHEMBL2392364)
Show SMILES Clc1cc(Cl)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
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n/an/a 2n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM50397589
PNG
(CHEMBL2171517)
Show SMILES Cc1cc(C)cc(c1)-c1ccc2nc(NC(=O)C3CCCCCC3)n(C)c2c1
Show InChI InChI=1S/C24H29N3O/c1-16-12-17(2)14-20(13-16)19-10-11-21-22(15-19)27(3)24(25-21)26-23(28)18-8-6-4-5-7-9-18/h10-15,18H,4-9H2,1-3H3,(H,25,26,28)
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n/an/a 5n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435433
PNG
(CHEMBL1898197)
Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3OCOc3c2)cc1Cl
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-1-11(7-14(13)20)9-22-18-21-6-5-15(23-18)12-2-4-16-17(8-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
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n/an/a 8n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435426
PNG
(CHEMBL1877990)
Show SMILES C(Nc1nccc(n1)-c1ccc2OCOc2c1)c1cccnc1
Show InChI InChI=1S/C17H14N4O2/c1-2-12(9-18-6-1)10-20-17-19-7-5-14(21-17)13-3-4-15-16(8-13)23-11-22-15/h1-9H,10-11H2,(H,19,20,21)
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n/an/a 11n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM50401900
PNG
(CHEMBL2207198)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)
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n/an/a 12n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of MARK3


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435436
PNG
(CHEMBL2392365)
Show SMILES Brc1cc(Br)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Br2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
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n/an/a 13n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM107110
PNG
(US8592425, 14)
Show SMILES N[C@H]1CCCC(F)(F)C1NC(=O)c1cc(cs1)-c1cnc2cccnn12
Show InChI InChI=1S/C17H17F2N5OS/c18-17(19)5-1-3-11(20)15(17)23-16(25)13-7-10(9-26-13)12-8-21-14-4-2-6-22-24(12)14/h2,4,6-9,11,15H,1,3,5,20H2,(H,23,25)/t11-,15?/m0/s1
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US Patent
n/an/a 15n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
MARK3 activity was assayed in vitro using a Cdc25C biotinylated peptide substrate (Cell Signalling Technologies). The phosphopeptide product was quan...


US Patent US8592425 (2013)

More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435425
PNG
(CHEMBL1904905)
Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3OCCOc3c2)cc1Cl
Show InChI InChI=1S/C19H15Cl2N3O2/c20-14-3-1-12(9-15(14)21)11-23-19-22-6-5-16(24-19)13-2-4-17-18(10-13)26-8-7-25-17/h1-6,9-10H,7-8,11H2,(H,22,23,24)
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n/an/a 16n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435473
PNG
(CHEMBL1236620)
Show SMILES CCOC(=O)c1c(C(C=N)C#N)c2ccc(Cl)c(Cl)c2n1C
Show InChI InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6,8,18H,3H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1 (148 to 484 amino acids) expressed in Escherichia coli BL21(DE3) using AFRREWSPGKEAKK as substrate preincubated ...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM50401899
PNG
(CHEMBL2207208)
Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)
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n/an/a 20n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of MARK3


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM107108
PNG
(US8592425, 1)
Show SMILES Cc1sc(cc1-c1cnc2cccnn12)C(=O)NC1[C@H](N)CCCC1(F)F
Show InChI InChI=1S/C18H19F2N5OS/c1-10-11(13-9-22-15-5-3-7-23-25(13)15)8-14(27-10)17(26)24-16-12(21)4-2-6-18(16,19)20/h3,5,7-9,12,16H,2,4,6,21H2,1H3,(H,24,26)/t12-,16?/m1/s1
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US Patent
n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
MARK3 activity was assayed in vitro using a Cdc25C biotinylated peptide substrate (Cell Signalling Technologies). The phosphopeptide product was quan...


US Patent US8592425 (2013)

More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50154341
PNG
(CHEMBL3775754)
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n/an/a 20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50435433
PNG
(CHEMBL1898197)
Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3OCOc3c2)cc1Cl
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-1-11(7-14(13)20)9-22-18-21-6-5-15(23-18)12-2-4-16-17(8-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
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n/an/a 20n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM50397590
PNG
(CHEMBL2171516)
Show SMILES Cc1cc(C)cc(c1)-c1ccc2nc(NC(=O)C3CCCCC3)nn2c1
Show InChI InChI=1S/C21H24N4O/c1-14-10-15(2)12-18(11-14)17-8-9-19-22-21(24-25(19)13-17)23-20(26)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,23,24,26)
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n/an/a 20n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50435449
PNG
(CHEMBL2392364)
Show SMILES Clc1cc(Cl)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
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n/an/a 23n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435469
PNG
(CHEMBL1899256)
Show SMILES Brc1ccc(CNc2nccc(n2)-c2ccc3OCOc3c2)cc1Br
Show InChI InChI=1S/C18H13Br2N3O2/c19-13-3-1-11(7-14(13)20)9-22-18-21-6-5-15(23-18)12-2-4-16-17(8-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
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n/an/a 24n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50347798
PNG
(CHEMBL1802410)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(N)cccc12
Show InChI InChI=1S/C12H10IN5/c13-8-5-17-12(15)18-10(8)7-4-16-11-6(7)2-1-3-9(11)14/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 26n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50347802
PNG
(CHEMBL1802406)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H9IN4/c13-9-6-16-12(14)17-11(9)8-5-15-10-4-2-1-3-7(8)10/h1-6,15H,(H2,14,16,17)
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n/an/a 30n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50435469
PNG
(CHEMBL1899256)
Show SMILES Brc1ccc(CNc2nccc(n2)-c2ccc3OCOc3c2)cc1Br
Show InChI InChI=1S/C18H13Br2N3O2/c19-13-3-1-11(7-14(13)20)9-22-18-21-6-5-15(23-18)12-2-4-16-17(8-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
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n/an/a 30n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50347793
PNG
(CHEMBL1802966)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-7-8(4-16-10(7)3-6)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 32n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435441
PNG
(CHEMBL1868723)
Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(H,22,23,24)
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n/an/a 34n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50435425
PNG
(CHEMBL1904905)
Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3OCCOc3c2)cc1Cl
Show InChI InChI=1S/C19H15Cl2N3O2/c20-14-3-1-12(9-15(14)21)11-23-19-22-6-5-16(24-19)13-2-4-17-18(10-13)26-8-7-25-17/h1-6,9-10H,7-8,11H2,(H,22,23,24)
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n/an/a 39n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cdc2


(Asterina pectinifera)
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 150 M [gamma32P]ATP


Science 281: 533-538 (1998)

More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435488
PNG
(CHEMBL1892019)
Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C18H13Cl2N5/c19-14-3-1-11(7-15(14)20)9-22-18-21-6-5-16(24-18)12-2-4-17-13(8-12)10-23-25-17/h1-8,10H,9H2,(H,23,25)(H,21,22,24)
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n/an/a 41n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50435436
PNG
(CHEMBL2392365)
Show SMILES Brc1cc(Br)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Br2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
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n/an/a 41n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 41n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK3 by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50347815
PNG
(CHEMBL1802405)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-8-5-16-12(14)17-10(8)7-4-15-11-6(7)2-1-3-9(11)18(19)20/h1-5,15H,(H2,14,16,17)
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n/an/a 41n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50347792
PNG
(CHEMBL1802967)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H8BrIN4/c13-8-3-1-2-6-7(4-16-10(6)8)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 42n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50443934
PNG
(CHEMBL3091797)
Show SMILES Nc1ncnc2c1oc1cc(cnc21)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H8Cl2N4O/c16-8-1-2-9(10(17)4-8)7-3-11-12(19-5-7)13-14(22-11)15(18)21-6-20-13/h1-6H,(H2,18,20,21)
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n/an/a 49n/an/an/an/an/an/a



UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026598
PNG
(CHEMBL3335356)
Show SMILES Cc1ccc(cc1O)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C16H12O3S/c1-9-2-3-10(7-13(9)18)16(19)15-8-11-6-12(17)4-5-14(11)20-15/h2-8,17-18H,1H3
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n/an/a 50n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026608
PNG
(CHEMBL3335358)
Show SMILES Oc1ccc(F)c(c1)C(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C15H9FO3S/c16-12-3-1-10(18)7-11(12)15(19)14-6-8-5-9(17)2-4-13(8)20-14/h1-7,17-18H
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n/an/a 50n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


Citation and Details
More data for this
Ligand-Target Pair
Cdc2


(Asterina pectinifera)
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 150 M [gamma32P]ATP


Science 281: 533-538 (1998)

More data for this
Ligand-Target Pair
Dual specificty 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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50435441
PNG
(CHEMBL1868723)
Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(H,22,23,24)
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n/an/a 52n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/a 56.9n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25C


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50026620
PNG
(CHEMBL3335363)
Show SMILES CC(=O)c1cc2cc(O)ccc2s1
Show InChI InChI=1S/C10H8O2S/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-5,12H,1H3
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n/an/a 60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate


Citation and Details
More data for this
Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM50397588
PNG
(CHEMBL2171518)
Show SMILES Cc1cccc(c1)-c1ccc2nc(NC(=O)C3CCCCC3)nn2c1
Show InChI InChI=1S/C20H22N4O/c1-14-6-5-9-16(12-14)17-10-11-18-21-20(23-24(18)13-17)22-19(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,22,23,25)
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n/an/a 60n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50435426
PNG
(CHEMBL1877990)
Show SMILES C(Nc1nccc(n1)-c1ccc2OCOc2c1)c1cccnc1
Show InChI InChI=1S/C17H14N4O2/c1-2-12(9-18-6-1)10-20-17-19-7-5-14(21-17)13-3-4-15-16(8-13)23-11-22-15/h1-9H,10-11H2,(H,19,20,21)
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n/an/a 60n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin)


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More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50347796
PNG
(CHEMBL1802963)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H9BrN4/c13-9-3-1-2-7-8(6-16-11(7)9)10-4-5-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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KEGG

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n/an/a 65n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50347803
PNG
(CHEMBL1802404)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-9-5-16-12(14)17-11(9)8-4-15-10-3-6(18(19)20)1-2-7(8)10/h1-5,15H,(H2,14,16,17)
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KEGG

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antibodypedia
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PubMed
n/an/a 67n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


Citation and Details
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
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...


Citation and Details
More data for this
Ligand-Target Pair
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