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Compile Data Set for Download or QSAR

Found 7107 hits Enz. Inhib. hit(s) with Target = 'Dual specificity tyrosine-phosphorylation-regulated kinase 1A'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445231
PNG
(CHEMBL3102950)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)
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2.30n/an/an/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50081174
PNG
(CHEMBL3421968)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)
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4.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445230
PNG
(CHEMBL3102951)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1O
Show InChI InChI=1S/C19H14N2O3/c22-13-3-1-11(2-4-13)17-10-21-19-16(17)7-12(9-20-19)15-6-5-14(23)8-18(15)24/h1-10,22-24H,(H,20,21)
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5.5n/an/an/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445229
PNG
(CHEMBL3102953)
Show SMILES Oc1ccc(c(O)c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C19H14N2O4/c22-12-2-3-13(17(24)7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-4-16(23)18(25)6-10/h1-9,22-25H,(H,20,21)
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7.60n/an/an/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600512
PNG
(CHEMBL5203374)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccccc1O
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9.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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<10n/an/an/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system assessed as residual activity at...


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581228
PNG
(CHEMBL5081341)
Show SMILES COc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445227
PNG
(CHEMBL3102955)
Show SMILES Oc1ccc(cc1O)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H14N2O4/c22-15-3-1-10(6-17(15)24)12-5-13-14(9-21-19(13)20-8-12)11-2-4-16(23)18(25)7-11/h1-9,22-25H,(H,20,21)
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10n/an/an/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445228
PNG
(CHEMBL3102954)
Show SMILES Oc1ccc(O)c(c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C19H14N2O4/c22-12-2-4-16(23)13(7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-3-17(24)18(25)6-10/h1-9,22-25H,(H,20,21)
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12n/an/an/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581227
PNG
(CHEMBL5083242)
Show SMILES COc1nc(C)nc2[nH]cc(-c3ccncc3)c12
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581229
PNG
(CHEMBL5092245)
Show SMILES COc1nc(C)nc2[nH]cc(-c3ccnc(C)c3)c12
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600521
PNG
(CHEMBL5199700)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccc(N)cc1
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27n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581225
PNG
(CHEMBL5091344)
Show SMILES Cc1nc(N)c2c(C#N)c([nH]c2n1)-c1cccnc1
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


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


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
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600517
PNG
(CHEMBL5176835)
Show SMILES NC(=O)c1cc2c(-c3ccc(s3)C(=O)NCc3ccccc3N)c(Cl)ccc2s1
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36n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600505
PNG
(CHEMBL5177156)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccccc1
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57n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581222
PNG
(CHEMBL5091537)
Show SMILES Cc1nc(N)c2c(C#N)c(-c3cccc(F)c3F)n(C)c2n1 |(67.73,-22.18,;66.4,-21.41,;65.06,-22.19,;63.72,-21.41,;62.38,-22.19,;63.72,-19.87,;62.58,-18.84,;61.07,-19.16,;59.55,-19.48,;63.2,-17.43,;62.43,-16.1,;60.9,-16.1,;60.13,-14.78,;60.9,-13.43,;62.44,-13.43,;63.2,-12.1,;63.21,-14.76,;64.74,-14.76,;64.74,-17.59,;65.77,-16.44,;65.06,-19.1,;66.4,-19.87,)|
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600516
PNG
(CHEMBL5186861)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccccc1N
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68n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600514
PNG
(CHEMBL5180428)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1cccc(O)c1
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73n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600513
PNG
(CHEMBL5173413)
Show SMILES NC(=O)c1cc2c(-c3ccc(s3)C(=O)NCc3ccccc3O)c(Cl)ccc2s1
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85n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM213236
PNG
(4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thio...)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccnc(Cl)c1
Show InChI InChI=1S/C20H16ClN3O3S2/c21-18-8-11(6-7-23-18)10-24-19(25)15-5-4-14(28-15)12-2-1-3-16-13(12)9-17(20(26)27)29(16)22/h1-9,29H,10,22H2,(H,24,25)(H,26,27)
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86n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600507
PNG
(CHEMBL5173510)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1cc(N)c(s1)C(=O)NC1CC1
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90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600519
PNG
(CHEMBL5190686)
Show SMILES NC(=O)c1cc2c(-c3ccc(s3)C(=O)NCc3cccc(N)c3)c(Cl)ccc2s1
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93n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600508
PNG
(CHEMBL5202356)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCC1CC1
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95n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50381865
PNG
(CHEMBL2023701)
Show SMILES COc1ccc(cc1)-c1cc(N)nc(N)n1
Show InChI InChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15)
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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600510
PNG
(CHEMBL5173386)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)N[C@H](CO)Cc1ccccc1 |r|
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101n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50368984
PNG
(CHEMBL4164814)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccnc3)c2c1
Show InChI InChI=1S/C18H14N4O2S/c19-25(23,24)15-5-3-12(4-6-15)14-8-16-17(11-22-18(16)21-10-14)13-2-1-7-20-9-13/h1-11H,(H,21,22)(H2,19,23,24)
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104n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regenerative NADH consuming assay


J Med Chem 61: 7560-7572 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01847
BindingDB Entry DOI: 10.7270/Q27H1N40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600515
PNG
(CHEMBL5172326)
Show SMILES NC(=O)c1cc2c(-c3ccc(s3)C(=O)NCc3cccc(O)c3)c(Cl)ccc2s1
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105n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600511
PNG
(CHEMBL5189902)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCCn1cc(CO)nn1
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118n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600518
PNG
(CHEMBL5191496)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1cccc(N)c1
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119n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581231
PNG
(CHEMBL5090400)
Show SMILES COc1nc(C)nc2[nH]cc(-c3ccnc(F)c3)c12
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120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581221
PNG
(CHEMBL5076663)
Show SMILES CCn1c(c(C#N)c2c(N)nc(C)nc12)-c1cccc(F)c1F |(54.34,-17.21,;52.83,-16.89,;51.8,-18.03,;50.27,-17.87,;49.64,-19.29,;48.13,-19.61,;46.62,-19.93,;50.78,-20.31,;50.78,-21.86,;49.44,-22.64,;52.12,-22.64,;53.46,-21.86,;54.8,-22.63,;53.46,-20.31,;52.12,-19.55,;49.5,-16.54,;47.97,-16.55,;47.19,-15.22,;47.96,-13.88,;49.5,-13.88,;50.27,-12.55,;50.27,-15.21,;51.81,-15.21,)|
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120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50391956
PNG
(CHEMBL2152265)
Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccnc3)c2c1
Show InChI InChI=1S/C18H14N4/c19-15-5-1-3-12(7-15)14-8-16-17(11-22-18(16)21-10-14)13-4-2-6-20-9-13/h1-11H,19H2,(H,21,22)
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158n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regenerative NADH consuming assay


J Med Chem 61: 7560-7572 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01847
BindingDB Entry DOI: 10.7270/Q27H1N40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600506
PNG
(CHEMBL5203368)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NC1CC1
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160n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600509
PNG
(CHEMBL5170875)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NC1CCOCC1
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178n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50445253
PNG
(CHEMBL1232500)
Show SMILES CCN1C(Sc2ccc(O)cc12)=CC(C)=O |w:12.14|
Show InChI InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3
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180n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50581224
PNG
(CHEMBL5086979)
Show SMILES Cc1nc(N)c2c(C#N)c(-c3cccnc3)n(C)c2n1
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190n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50341228
PNG
(1-(4-fluoro-2-(trifluoromethyl)phenyl)-9-(1H-pyraz...)
Show SMILES Fc1ccc(c(c1)C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1 |(23.22,-16.91,;24.55,-17.69,;24.53,-19.24,;25.86,-20.02,;27.19,-19.26,;27.22,-17.72,;25.89,-16.93,;28.56,-16.97,;28.58,-15.43,;30.09,-16.96,;29.64,-15.86,;28.52,-20.05,;28.5,-21.58,;29.82,-22.37,;31.16,-21.62,;31.18,-20.09,;29.86,-19.3,;29.87,-17.76,;29.8,-23.92,;28.45,-24.67,;27.12,-23.88,;25.77,-24.62,;24.46,-23.82,;24.49,-22.28,;25.84,-21.54,;27.15,-22.33,;23.18,-21.48,;21.69,-21.89,;20.85,-20.6,;21.81,-19.41,;23.24,-19.95,)|
Show InChI InChI=1S/C22H12F4N4O/c23-15-3-5-19(17(8-15)22(24,25)26)30-20(31)6-2-13-9-27-18-4-1-12(7-16(18)21(13)30)14-10-28-29-11-14/h1-11H,(H,28,29)
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252n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regenerative NADH consuming assay


J Med Chem 61: 7560-7572 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01847
BindingDB Entry DOI: 10.7270/Q27H1N40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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300n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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330n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600504
PNG
(CHEMBL5208317)
Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1cccc(Cl)c1
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359n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50368980
PNG
(CHEMBL4171089)
Show SMILES COc1cc(ccc1Nc1nc(N)c(s1)C(=O)c1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C22H25N5O2S/c1-26-10-12-27(13-11-26)16-8-9-17(18(14-16)29-2)24-22-25-21(23)20(30-22)19(28)15-6-4-3-5-7-15/h3-9,14H,10-13,23H2,1-2H3,(H,24,25)
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383n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regenerative NADH consuming assay


J Med Chem 61: 7560-7572 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01847
BindingDB Entry DOI: 10.7270/Q27H1N40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50600520
PNG
(CHEMBL5174426)
Show SMILES NC(=O)c1cc2c(ccc(F)c2s1)-c1ccc(s1)C(=O)NCc1cccc(N)c1
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491n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50368981
PNG
(CHEMBL4168671)
Show SMILES COc1cc(ccc1Nc1nc(N)c(s1)C(=O)c1ccc(NC(=O)C=C)cc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H28N6O3S/c1-4-21(32)27-17-7-5-16(6-8-17)22(33)23-24(26)29-25(35-23)28-19-10-9-18(15-20(19)34-3)31-13-11-30(2)12-14-31/h4-10,15H,1,11-14,26H2,2-3H3,(H,27,32)(H,28,29)
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575n/an/an/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regenerative NADH consuming assay


J Med Chem 61: 7560-7572 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01847
BindingDB Entry DOI: 10.7270/Q27H1N40
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581220
PNG
(CHEMBL5085619)
Show SMILES CCn1c(c(C#N)c2c(N)nc(C)nc12)-c1cccnc1
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890n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
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 |r|
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


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50028122
PNG
(2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...)
Show SMILES Nc1nc2[nH]ccc2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
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1.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581223
PNG
(CHEMBL5077073)
Show SMILES COc1cccc(-c2c(C#N)c3c(N)nc(C)nc3n2C)c1C |(75.98,-11.92,;74.44,-11.92,;73.67,-13.25,;72.13,-13.25,;71.36,-14.59,;72.14,-15.92,;73.67,-15.92,;74.44,-17.25,;73.81,-18.66,;72.3,-18.98,;70.79,-19.3,;74.96,-19.69,;74.96,-21.23,;73.62,-22.01,;76.3,-22.01,;77.64,-21.23,;78.97,-22,;77.64,-19.69,;76.3,-18.92,;75.98,-17.41,;77.01,-16.26,;74.44,-14.58,;75.98,-14.58,)|
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B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581218
PNG
(CHEMBL5089793)
Show SMILES Nc1ncc(Cl)c2sccc12
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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