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Compile Data Set for Download or QSAR

Found 592 hits Enz. Inhib. hit(s) with Target = 'Dual-specificity tyrosine-phosphorylation regulated kinase 1A' AND taxid = 9606   
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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-$b-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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33n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged DYRK1A (unknown origin) expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis in presence of ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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3.40E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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>6.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant DYRK1A after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human DYRK1A


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434356
PNG
(CHEMBL2386744)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1
Show InChI InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434353
PNG
(CHEMBL2386747)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.220n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434355
PNG
(CHEMBL2386745)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4OC)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-13-7-9(19)3-4-10(13)23-17-14-11(21-8-22-17)5-6-12-15(14)27-18(24-12)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
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n/an/a 0.360n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434352
PNG
(CHEMBL2386748)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4F)c3c2s1
Show InChI InChI=1S/C17H11F2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.940n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434364
PNG
(CHEMBL2386764)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(C)cc4)c3c2s1
Show InChI InChI=1S/C18H15N5OS/c1-10-3-5-11(6-4-10)22-17-14-12(20-9-21-17)7-8-13-15(14)25-18(23-13)16(19)24-2/h3-9,19H,1-2H3,(H,20,21,22)
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n/an/a 0.980n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434354
PNG
(CHEMBL2386746)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11ClFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(19)6-9(10)18/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.990n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434338
PNG
(CHEMBL2386762)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4)c3c2s1
Show InChI InChI=1S/C17H12ClN5OS/c1-24-15(19)17-23-12-7-6-11-13(14(12)25-17)16(21-8-20-11)22-10-4-2-9(18)3-5-10/h2-8,19H,1H3,(H,20,21,22)
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434347
PNG
(CHEMBL2386753)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc5OCOc5c4)c3c2s1
Show InChI InChI=1S/C18H13N5O3S/c1-24-16(19)18-23-11-4-3-10-14(15(11)27-18)17(21-7-20-10)22-9-2-5-12-13(6-9)26-8-25-12/h2-7,19H,8H2,1H3,(H,20,21,22)
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434365
PNG
(CHEMBL2386763)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccccc4)c3c2s1
Show InChI InChI=1S/C17H13N5OS/c1-23-15(18)17-22-12-8-7-11-13(14(12)24-17)16(20-9-19-11)21-10-5-3-2-4-6-10/h2-9,18H,1H3,(H,19,20,21)
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434358
PNG
(CHEMBL2386770)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4Br)c3c2s1
Show InChI InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(19)6-9(10)18/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434362
PNG
(CHEMBL2386766)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(cc4)C#N)c3c2s1
Show InChI InChI=1S/C18H12N6OS/c1-25-16(20)18-24-13-7-6-12-14(15(13)26-18)17(22-9-21-12)23-11-4-2-10(8-19)3-5-11/h2-7,9,20H,1H3,(H,21,22,23)
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(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 4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434351
PNG
(CHEMBL2386749)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(O)c(c4)[N+]([O-])=O)c3c2s1
Show InChI InChI=1S/C17H12N6O4S/c1-27-15(18)17-22-10-4-3-9-13(14(10)28-17)16(20-7-19-9)21-8-2-5-12(24)11(6-8)23(25)26/h2-7,18,24H,1H3,(H,19,20,21)
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n/an/a 4.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50444358
PNG
(CHEMBL3094437)
Show SMILES NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CC3CCC(C2)O3)c1)c1ccccc1
Show InChI InChI=1S/C30H30ClN7O4/c31-23-9-6-18(27(39)34-24(10-11-32)17-4-2-1-3-5-17)13-25(23)35-28(40)22-12-19-14-33-30(37-26(19)36-29(22)41)38-15-20-7-8-21(16-38)42-20/h1-6,9,12-14,20-21,24H,7-8,10-11,15-16,32H2,(H,34,39)(H,35,40)(H,33,36,37,41)
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434340
PNG
(CHEMBL2386760)
Show SMILES COC(=O)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H10Cl2N4O2S/c1-25-17(24)16-23-12-5-4-11-13(14(12)26-16)15(21-7-20-11)22-10-3-2-8(18)6-9(10)19/h2-7H,1H3,(H,20,21,22)
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n/an/a 5.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50444361
PNG
(CHEMBL3094434)
Show SMILES CN1CCN(CCCNc2ncc3cc(C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c4ccccc4)c(=O)[nH]c3n2)CC1
Show InChI InChI=1S/C32H38ClN9O3/c1-41-14-16-42(17-15-41)13-5-12-35-32-36-20-23-18-24(31(45)39-28(23)40-32)30(44)38-27-19-22(8-9-25(27)33)29(43)37-26(10-11-34)21-6-3-2-4-7-21/h2-4,6-9,18-20,26H,5,10-17,34H2,1H3,(H,37,43)(H,38,44)(H2,35,36,39,40,45)
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n/an/a 6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50097869
PNG
(CHEMBL3589662)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



?Institut für Medizinische und Pharmazeutische Chemie, Technische Universität Braunschweig, Beethovenstraße 55, 38106 Braunschweig, Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434346
PNG
(CHEMBL2386754)
Show SMILES CCOC(=N)c1nc2ccc3ncnc(Nc4ccc5OCOc5c4)c3c2s1
Show InChI InChI=1S/C19H15N5O3S/c1-2-25-17(20)19-24-12-5-4-11-15(16(12)28-19)18(22-8-21-11)23-10-3-6-13-14(7-10)27-9-26-13/h3-8,20H,2,9H2,1H3,(H,21,22,23)
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434363
PNG
(CHEMBL2386765)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4)c3c2s1
Show InChI InChI=1S/C17H12FN5OS/c1-24-15(19)17-23-12-7-6-11-13(14(12)25-17)16(21-8-20-11)22-10-4-2-9(18)3-5-10/h2-8,19H,1H3,(H,20,21,22)
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n/an/a 6.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(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 7n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50444373
PNG
(CHEMBL3094454)
Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CN)c3ccccc3)c(=O)[nH]c2n1
Show InChI InChI=1S/C24H21ClN6O4/c1-35-24-27-12-15-9-16(23(34)30-20(15)31-24)22(33)28-18-10-14(7-8-17(18)25)21(32)29-19(11-26)13-5-3-2-4-6-13/h2-10,12,19H,11,26H2,1H3,(H,28,33)(H,29,32)(H,27,30,31,34)
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n/an/a 8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434348
PNG
(CHEMBL2386752)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(O)c(F)c4)c3c2s1
Show InChI InChI=1S/C17H12FN5O2S/c1-25-15(19)17-23-11-4-3-10-13(14(11)26-17)16(21-7-20-10)22-8-2-5-12(24)9(18)6-8/h2-7,19,24H,1H3,(H,20,21,22)
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n/an/a 8.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50444367
PNG
(CHEMBL3094460)
Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c3ccccc3)c(=O)[nH]c2n1
Show InChI InChI=1S/C25H23ClN6O4/c1-36-25-28-13-16-11-17(24(35)31-21(16)32-25)23(34)30-20-12-15(7-8-18(20)26)22(33)29-19(9-10-27)14-5-3-2-4-6-14/h2-8,11-13,19H,9-10,27H2,1H3,(H,29,33)(H,30,34)(H,28,31,32,35)/t19-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50444359
PNG
(CHEMBL3094436)
Show SMILES NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CCC(N)CC2)c1)c1ccccc1
Show InChI InChI=1S/C29H31ClN8O3/c30-22-7-6-18(26(39)34-23(8-11-31)17-4-2-1-3-5-17)15-24(22)35-27(40)21-14-19-16-33-29(37-25(19)36-28(21)41)38-12-9-20(32)10-13-38/h1-7,14-16,20,23H,8-13,31-32H2,(H,34,39)(H,35,40)(H,33,36,37,41)
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50444372
PNG
(CHEMBL3094455)
Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c3ccccc3)c(=O)[nH]c2n1
Show InChI InChI=1S/C25H23ClN6O4/c1-36-25-28-13-16-11-17(24(35)31-21(16)32-25)23(34)30-20-12-15(7-8-18(20)26)22(33)29-19(9-10-27)14-5-3-2-4-6-14/h2-8,11-13,19H,9-10,27H2,1H3,(H,29,33)(H,30,34)(H,28,31,32,35)
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434357
PNG
(CHEMBL2386743)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4OC)c3c2s1
Show InChI InChI=1S/C19H17N5O3S/c1-25-10-4-5-11(14(8-10)26-2)23-18-15-12(21-9-22-18)6-7-13-16(15)28-19(24-13)17(20)27-3/h4-9,20H,1-3H3,(H,21,22,23)
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n/an/a 9.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(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 10n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(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 11n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50444365
PNG
(CHEMBL3094462)
Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c3cccc(Cl)c3)c(=O)[nH]c2n1
Show InChI InChI=1S/C25H22Cl2N6O4/c1-37-25-29-12-15-10-17(24(36)32-21(15)33-25)23(35)31-20-11-14(5-6-18(20)27)22(34)30-19(7-8-28)13-3-2-4-16(26)9-13/h2-6,9-12,19H,7-8,28H2,1H3,(H,30,34)(H,31,35)(H,29,32,33,36)
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n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50444360
PNG
(CHEMBL3094435)
Show SMILES CN1CCN(CCNc2ncc3cc(C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c4ccccc4)c(=O)[nH]c3n2)CC1
Show InChI InChI=1S/C31H36ClN9O3/c1-40-13-15-41(16-14-40)12-11-34-31-35-19-22-17-23(30(44)38-27(22)39-31)29(43)37-26-18-21(7-8-24(26)32)28(42)36-25(9-10-33)20-5-3-2-4-6-20/h2-8,17-19,25H,9-16,33H2,1H3,(H,36,42)(H,37,43)(H2,34,35,38,39,44)
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n/an/a 13n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434339
PNG
(CHEMBL2386761)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4)c3c2s1
Show InChI InChI=1S/C18H15N5O2S/c1-24-11-5-3-10(4-6-11)22-17-14-12(20-9-21-17)7-8-13-15(14)26-18(23-13)16(19)25-2/h3-9,19H,1-2H3,(H,20,21,22)
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434349
PNG
(CHEMBL2386751)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2s1
Show InChI InChI=1S/C17H12ClN5OS/c1-24-15(19)17-23-12-6-5-11-13(14(12)25-17)16(21-8-20-11)22-10-4-2-3-9(18)7-10/h2-8,19H,1H3,(H,20,21,22)
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50444371
PNG
(CHEMBL3094456)
Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCCN)c3ccccc3)c(=O)[nH]c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-37-26-29-14-17-12-18(25(36)32-22(17)33-26)24(35)31-21-13-16(9-10-19(21)27)23(34)30-20(8-5-11-28)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-14,20H,5,8,11,28H2,1H3,(H,30,34)(H,31,35)(H,29,32,33,36)
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n/an/a 15n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 18n/an/an/an/an/an/a



?Institut für Medizinische und Pharmazeutische Chemie, Technische Universität Braunschweig, Beethovenstraße 55, 38106 Braunschweig, Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50434359
PNG
(CHEMBL2386769)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(cc4)C(F)(F)F)c3c2s1
Show InChI InChI=1S/C18H12F3N5OS/c1-27-15(22)17-26-12-7-6-11-13(14(12)28-17)16(24-8-23-11)25-10-4-2-9(3-5-10)18(19,20)21/h2-8,22H,1H3,(H,23,24,25)
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(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 18n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 20n/an/an/an/an/an/a



?Institut für Medizinische und Pharmazeutische Chemie, Technische Universität Braunschweig, Beethovenstraße 55, 38106 Braunschweig, Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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n/an/a 21n/an/an/an/an/an/a



Universit£ de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50444379
PNG
(CHEMBL3094448)
Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccc(Cl)c3)c(=O)[nH]c2n1
Show InChI InChI=1S/C23H17Cl2N5O4/c1-34-23-27-11-14-8-16(22(33)29-19(14)30-23)21(32)28-18-9-13(5-6-17(18)25)20(31)26-10-12-3-2-4-15(24)7-12/h2-9,11H,10H2,1H3,(H,26,31)(H,28,32)(H,27,29,30,33)
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n/an/a 22n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50097856
PNG
(CHEMBL3589667)
Show SMILES COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11IN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 22n/an/an/an/an/an/a



?Institut für Medizinische und Pharmazeutische Chemie, Technische Universität Braunschweig, Beethovenstraße 55, 38106 Braunschweig, Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50097854
PNG
(CHEMBL3589665)
Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 23n/an/an/an/an/an/a



?Institut für Medizinische und Pharmazeutische Chemie, Technische Universität Braunschweig, Beethovenstraße 55, 38106 Braunschweig, Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50435468
PNG
(CHEMBL1885536)
Show SMILES C1Oc2ccc(Nc3nccc(n3)-c3ccc4OCOc4c3)cc2O1
Show InChI InChI=1S/C18H13N3O4/c1-3-14-16(24-9-22-14)7-11(1)13-5-6-19-18(21-13)20-12-2-4-15-17(8-12)25-10-23-15/h1-8H,9-10H2,(H,19,20,21)
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n/an/a 25n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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