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Compile Data Set for Download or QSAR

Found 809 hits of ic50 data for polymerid = 1216,50003555   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50434356
PNG
(CHEMBL2386744 | US9446044, 44)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434358
PNG
(CHEMBL2386770 | US9446044, 68)
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 0.160n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434353
PNG
(CHEMBL2386747 | US9446044, 72)
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/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434353
PNG
(CHEMBL2386747 | US9446044, 72)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM246383
PNG
(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)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/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434352
PNG
(CHEMBL2386748 | US9446044, 78)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434352
PNG
(CHEMBL2386748 | US9446044, 78)
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/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434364
PNG
(CHEMBL2386764 | US9446044, 65)
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/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434364
PNG
(CHEMBL2386764 | US9446044, 65)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM246384
PNG
(US9446044, 71)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4F)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(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.990n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434338
PNG
(CHEMBL2386762 | US9446044, 56)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434338
PNG
(CHEMBL2386762 | US9446044, 56)
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 1.13n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434347
PNG
(CHEMBL2386753 | US9446044, 48)
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 1.65n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434347
PNG
(CHEMBL2386753 | US9446044, 48)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434365
PNG
(CHEMBL2386763 | US9446044, 64)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434365
PNG
(CHEMBL2386763 | US9446044, 64)
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 1.81n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM246372
PNG
(US9446044, 47)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4cc5OCOc5c(Br)c4)c3c2s1
Show InChI InChI=1S/C18H12BrN5O3S/c1-25-16(20)18-24-11-3-2-10-13(15(11)28-18)17(22-6-21-10)23-8-4-9(19)14-12(5-8)26-7-27-14/h2-6,20H,7H2,1H3,(H,21,22,23)
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n/an/a 2.76n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434356
PNG
(CHEMBL2386744 | US9446044, 44)
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 3.60n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434358
PNG
(CHEMBL2386770 | US9446044, 68)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434362
PNG
(CHEMBL2386766 | US9446044, 70)
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 3.89n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434362
PNG
(CHEMBL2386766 | US9446044, 70)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
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)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM246377
PNG
(US9446044, 54)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)c(O)c4)c3c2s1
Show InChI InChI=1S/C18H15N5O3S/c1-25-13-6-3-9(7-12(13)24)22-17-14-10(20-8-21-17)4-5-11-15(14)27-18(23-11)16(19)26-2/h3-8,19,24H,1-2H3,(H,20,21,22)
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n/an/a 4.25n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM246381
PNG
(US9446044, 59)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc5nc[nH]c5c4)c3c2s1
Show InChI InChI=1S/C18H13N7OS/c1-26-16(19)18-25-12-5-4-11-14(15(12)27-18)17(23-8-21-11)24-9-2-3-10-13(6-9)22-7-20-10/h2-8,19H,1H3,(H,20,22)(H,21,23,24)
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n/an/a 4.44n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434351
PNG
(CHEMBL2386749 | US9446044, 60)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434351
PNG
(CHEMBL2386749 | US9446044, 60)
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 4.91n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
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)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434340
PNG
(CHEMBL2386760 | US9446044, 89)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434340
PNG
(CHEMBL2386760 | US9446044, 89)
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/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434346
PNG
(CHEMBL2386754 | US9446044, 82)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
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



Technische Universit£t Braunschweig

Curated by ChEMBL


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


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434346
PNG
(CHEMBL2386754 | US9446044, 82)
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 6.02n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434363
PNG
(CHEMBL2386765 | US9446044, 66)
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 6.06n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434363
PNG
(CHEMBL2386765 | US9446044, 66)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50234990
PNG
(CHEMBL4062453)
Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36)
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n/an/a 6.5n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 126: 1083-1106 (2017)

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


(Homo sapiens (Human))
BDBM50236543
PNG
(CHEMBL4078550)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
Show InChI InChI=1S/C21H17N3O2/c1-13(25)24-17-6-2-14(3-7-17)16-10-19-20(12-23-21(19)22-11-16)15-4-8-18(26)9-5-15/h2-12,26H,1H3,(H,22,23)(H,24,25)
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n/an/a 6.60n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting


J Med Chem 60: 2052-2070 (2017)

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)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50234807
PNG
(CHEMBL1738733)
Show SMILES O=C1N=C(Nc2ccccc2)N=C1Cc1ccc2OCOc2c1
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/h1-7,9H,8,10H2,(H,18,20,21)
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n/an/a 7.60n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM246373
PNG
(US9446044, 49)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc5OCCOc5c4)c3c2s1
Show InChI InChI=1S/C19H15N5O3S/c1-25-17(20)19-24-12-4-3-11-15(16(12)28-19)18(22-9-21-11)23-10-2-5-13-14(8-10)27-7-6-26-13/h2-5,8-9,20H,6-7H2,1H3,(H,21,22,23)
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US Patent
n/an/a 8n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
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)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434348
PNG
(CHEMBL2386752 | US9446044, 79)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434348
PNG
(CHEMBL2386752 | US9446044, 79)
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 8.63n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
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)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
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)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
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)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434357
PNG
(CHEMBL2386743 | US9446044, 62)
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



Dart Neuroscience LLC

Curated by ChEMBL


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


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434357
PNG
(CHEMBL2386743 | US9446044, 62)
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 9.53n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
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