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Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'debiton' and Initial = 'e'   
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
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Pim3 using RSRHSSYPAGT as substrate


Eur J Med Chem 56: 225-236 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.029
BindingDB Entry DOI: 10.7270/Q2XK8GTF
More data for this
Ligand-Target Pair
Dual specificity 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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity 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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity 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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
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 34n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
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 39n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity 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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50385115
PNG
(CHEMBL2036116)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3n(CCCCC#N)c21
Show InChI InChI=1S/C20H17N3O/c21-10-4-1-5-11-23-18-7-3-2-6-16(18)17-9-8-15-14(13-24)12-22-19(15)20(17)23/h2-3,6-9,12-13,22H,1,4-5,11H2
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n/an/a 41n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-3 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem Lett 22: 3807-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.098
BindingDB Entry DOI: 10.7270/Q2HX1DQB
More data for this
Ligand-Target Pair
Dual specificity 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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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50385115
PNG
(CHEMBL2036116)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3n(CCCCC#N)c21
Show InChI InChI=1S/C20H17N3O/c21-10-4-1-5-11-23-18-7-3-2-6-16(18)17-9-8-15-14(13-24)12-22-19(15)20(17)23/h2-3,6-9,12-13,22H,1,4-5,11H2
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n/an/a 46n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-1 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem Lett 22: 3807-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.098
BindingDB Entry DOI: 10.7270/Q2HX1DQB
More data for this
Ligand-Target Pair
Dual specificity 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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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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
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 66n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity 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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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
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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n/an/a 68n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347806
PNG
(CHEMBL1802401)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H9N5O2/c13-12-14-5-4-9(16-12)8-6-15-11-7(8)2-1-3-10(11)17(18)19/h1-6,15H,(H2,13,14,16)
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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50385117
PNG
(CHEMBL2036118)
Show SMILES CN(C)CCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c12
Show InChI InChI=1S/C21H23N3O/c1-23(2)11-5-6-12-24-19-8-4-3-7-17(19)18-10-9-16-15(14-25)13-22-20(16)21(18)24/h3-4,7-10,13-14,22H,5-6,11-12H2,1-2H3
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Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-1 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem Lett 22: 3807-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.098
BindingDB Entry DOI: 10.7270/Q2HX1DQB
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347799
PNG
(CHEMBL1802409)
Show SMILES Nc1ccc2c(c[nH]c2c1)-c1nc(N)ncc1I
Show InChI InChI=1S/C12H10IN5/c13-9-5-17-12(15)18-11(9)8-4-16-10-3-6(14)1-2-7(8)10/h1-5,16H,14H2,(H2,15,17,18)
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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50385117
PNG
(CHEMBL2036118)
Show SMILES CN(C)CCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c12
Show InChI InChI=1S/C21H23N3O/c1-23(2)11-5-6-12-24-19-8-4-3-7-17(19)18-10-9-16-15(14-25)13-22-20(16)21(18)24/h3-4,7-10,13-14,22H,5-6,11-12H2,1-2H3
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Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-3 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem Lett 22: 3807-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.098
BindingDB Entry DOI: 10.7270/Q2HX1DQB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347806
PNG
(CHEMBL1802401)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H9N5O2/c13-12-14-5-4-9(16-12)8-6-15-11-7(8)2-1-3-10(11)17(18)19/h1-6,15H,(H2,13,14,16)
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n/an/a 85n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347814
PNG
(CHEMBL1802391)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-13-7-5-12(6-8-13)15-9-24-20(22)26-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)
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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
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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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
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 110n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347804
PNG
(CHEMBL1802403)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-9-5-16-12(14)17-11(9)8-4-15-10-2-1-6(18(19)20)3-7(8)10/h1-5,15H,(H2,14,16,17)
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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM10841
PNG
(4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using RSRHSSYPAGT as substrate


Eur J Med Chem 56: 225-236 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.029
BindingDB Entry DOI: 10.7270/Q2XK8GTF
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM10841
PNG
(4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347794
PNG
(CHEMBL1802965)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-10-7(3-6)8(4-16-10)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347814
PNG
(CHEMBL1802391)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-13-7-5-12(6-8-13)15-9-24-20(22)26-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50385116
PNG
(CHEMBL2036117)
Show SMILES CC(C)(C)OC(=O)NCCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c12
Show InChI InChI=1S/C24H27N3O3/c1-24(2,3)30-23(29)25-12-6-7-13-27-20-9-5-4-8-18(20)19-11-10-17-16(15-28)14-26-21(17)22(19)27/h4-5,8-11,14-15,26H,6-7,12-13H2,1-3H3,(H,25,29)
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Curated by ChEMBL


Assay Description
Inhibition of Pim-3 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem Lett 22: 3807-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.098
BindingDB Entry DOI: 10.7270/Q2HX1DQB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347799
PNG
(CHEMBL1802409)
Show SMILES Nc1ccc2c(c[nH]c2c1)-c1nc(N)ncc1I
Show InChI InChI=1S/C12H10IN5/c13-9-5-17-12(15)18-11(9)8-4-16-10-3-6(14)1-2-7(8)10/h1-5,16H,14H2,(H2,15,17,18)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM10840
PNG
(4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)
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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347804
PNG
(CHEMBL1802403)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-9-5-16-12(14)17-11(9)8-4-15-10-2-1-6(18(19)20)3-7(8)10/h1-5,15H,(H2,14,16,17)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347788
PNG
(CHEMBL1802971)
Show SMILES CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H15BrN4O/c1-11(26)12-5-7-13(8-6-12)15-9-24-20(22)25-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H2,22,24,25)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347794
PNG
(CHEMBL1802965)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-10-7(3-6)8(4-16-10)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM10840
PNG
(4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347788
PNG
(CHEMBL1802971)
Show SMILES CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H15BrN4O/c1-11(26)12-5-7-13(8-6-12)15-9-24-20(22)25-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H2,22,24,25)
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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347807
PNG
(CHEMBL1802400)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H9N5O2/c13-12-14-4-3-10(16-12)9-6-15-11-5-7(17(18)19)1-2-8(9)11/h1-6,15H,(H2,13,14,16)
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Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50295872
PNG
(5-Iodo-4-(1-Methyl-1H-indol-3-yl)pyrimidin-2-amine...)
Show SMILES Cn1cc(-c2nc(N)ncc2I)c2ccccc12
Show InChI InChI=1S/C13H11IN4/c1-18-7-9(8-4-2-3-5-11(8)18)12-10(14)6-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17)
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Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50420295
PNG
(CHEMBL2088998)
Show SMILES COC(=O)c1cc2c([nH]c3cccc(N)c23)c2[nH]ccc12
Show InChI InChI=1S/C16H13N3O2/c1-21-16(20)9-7-10-13-11(17)3-2-4-12(13)19-15(10)14-8(9)5-6-18-14/h2-7,18-19H,17H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human Pim3 using RSRHSSYPAGT as substrate


Eur J Med Chem 56: 225-236 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.029
BindingDB Entry DOI: 10.7270/Q2XK8GTF
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
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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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50385116
PNG
(CHEMBL2036117)
Show SMILES CC(C)(C)OC(=O)NCCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c12
Show InChI InChI=1S/C24H27N3O3/c1-24(2,3)30-23(29)25-12-6-7-13-27-20-9-5-4-8-18(20)19-11-10-17-16(15-28)14-26-21(17)22(19)27/h4-5,8-11,14-15,26H,6-7,12-13H2,1-3H3,(H,25,29)
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Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of Pim-1 using RSRHSSYPAGT as substrate after 30 mins


Bioorg Med Chem Lett 22: 3807-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.098
BindingDB Entry DOI: 10.7270/Q2HX1DQB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50420296
PNG
(CHEMBL2089000)
Show SMILES COC(=O)c1cc2c3ccccc3[nH]c2c2[nH]ccc12
Show InChI InChI=1S/C16H12N2O2/c1-20-16(19)12-8-11-9-4-2-3-5-13(9)18-15(11)14-10(12)6-7-17-14/h2-8,17-18H,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human Pim3 using RSRHSSYPAGT as substrate


Eur J Med Chem 56: 225-236 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.029
BindingDB Entry DOI: 10.7270/Q2XK8GTF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using RSRHSSYPAGT as substrate


Eur J Med Chem 56: 225-236 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.029
BindingDB Entry DOI: 10.7270/Q2XK8GTF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347785
PNG
(CHEMBL1802390)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-14-5-2-12(3-6-14)16-9-24-20(22)26-19(16)17-10-23-18-8-13(21)4-7-15(17)18/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)
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PubMed
n/an/a 530n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM10844
PNG
(4-(1H-indol-3-yl)pyrimidin-2-amine | Meridianin G)
Show SMILES Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H10N4/c13-12-14-6-5-11(16-12)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H2,13,14,16)
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n/an/a 530n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Rattus norvegicus (rat))
BDBM50295874
PNG
(4-(1H-indol-3-yl)-5-(4-(trifluoromethyl)phenyl)pyr...)
Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H13F3N4/c20-19(21,22)12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26)
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n/an/a 580n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50295873
PNG
(4-[2-Amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzami...)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H15N5O/c20-18(25)12-7-5-11(6-8-12)14-9-23-19(21)24-17(14)15-10-22-16-4-2-1-3-13(15)16/h1-10,22H,(H2,20,25)(H2,21,23,24)
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n/an/a 580n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50295875
PNG
(4-(1H-Indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-a...)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H16N4O/c1-24-13-6-4-5-12(9-13)15-10-22-19(20)23-18(15)16-11-21-17-8-3-2-7-14(16)17/h2-11,21H,1H3,(H2,20,22,23)
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n/an/a 600n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347800
PNG
(CHEMBL1802408)
Show SMILES Nc1ccc2[nH]cc(-c3nc(N)ncc3I)c2c1
Show InChI InChI=1S/C12H10IN5/c13-9-5-17-12(15)18-11(9)8-4-16-10-2-1-6(14)3-7(8)10/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 610n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50295876
PNG
(4-(1H-Indol-3-yl)-5-(3-aminophenyl)pyrimidin-2-ami...)
Show SMILES Nc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H15N5/c19-12-5-3-4-11(8-12)14-9-22-18(20)23-17(14)15-10-21-16-7-2-1-6-13(15)16/h1-10,21H,19H2,(H2,20,22,23)
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n/an/a 640n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
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