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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50048220   
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


(Homo sapiens (Human))
BDBM50208626
PNG
(CHEMBL3884821)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C#N
Show InChI InChI=1S/C18H13N3O2/c1-22-12-3-4-13-14(6-12)21-18-16(13)10(7-19)5-11-8-20-9-15(23-2)17(11)18/h3-6,8-9,21H,1-2H3
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n/an/a 18n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50140932
PNG
(CHEMBL3753668)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H10N4/c16-8-12(7-11-3-1-5-17-9-11)14-10-19-15-13(14)4-2-6-18-15/h1-7,9-10H,(H,18,19)/b12-7+
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n/an/a 21n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208635
PNG
(CHEMBL3883660)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3
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n/an/a 25n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208625
PNG
(CHEMBL3885431)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C17H11N3O/c1-21-14-4-2-3-13-15-10(8-18)7-11-9-19-6-5-12(11)17(15)20-16(13)14/h2-7,9,20H,1H3
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n/an/a 27n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
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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n/an/a 29n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208729
PNG
(CHEMBL3883764)
Show SMILES N#Cc1cc2cnccc2c2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H9N3/c17-8-10-7-11-9-18-6-5-12(11)16-15(10)13-3-1-2-4-14(13)19-16/h1-7,9,19H
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n/an/a 50n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208715
PNG
(CHEMBL3884570)
Show SMILES COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C16H12N4O/c1-21-15-5-4-13-14(10-19-16(13)20-15)12(8-17)7-11-3-2-6-18-9-11/h2-7,9-10H,1H3,(H,19,20)/b12-7+
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n/an/a 180n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208627
PNG
(CHEMBL3885316)
Show SMILES COc1ccc2c(n1)[nH]c1c2c(cc2cnccc12)C#N
Show InChI InChI=1S/C16H10N4O/c1-21-13-3-2-12-14-9(7-17)6-10-8-18-5-4-11(10)15(14)20-16(12)19-13/h2-6,8H,1H3,(H,19,20)
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n/an/a 200n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208639
PNG
(CHEMBL3883414)
Show SMILES Fc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
Show InChI InChI=1S/C16H8FN3/c17-11-1-2-14-13(6-11)15-9(7-18)5-10-8-19-4-3-12(10)16(15)20-14/h1-6,8,20H
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n/an/a 310n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208709
PNG
(CHEMBL3883639)
Show SMILES COc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
Show InChI InChI=1S/C17H11N3O/c1-21-12-2-3-15-14(7-12)16-10(8-18)6-11-9-19-5-4-13(11)17(16)20-15/h2-7,9,20H,1H3
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n/an/a 370n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208638
PNG
(CHEMBL3883820)
Show SMILES N#Cc1cc2ccncc2c2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H9N3/c17-8-11-7-10-5-6-18-9-13(10)16-15(11)12-3-1-2-4-14(12)19-16/h1-7,9,19H
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n/an/a 370n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208633
PNG
(CHEMBL3884015)
Show SMILES N#Cc1cc2cnccc2c2[nH]c3ncccc3c12
Show InChI InChI=1S/C15H8N4/c16-7-9-6-10-8-17-5-3-11(10)14-13(9)12-2-1-4-18-15(12)19-14/h1-6,8H,(H,18,19)
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n/an/a 440n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208710
PNG
(CHEMBL3884627)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O
Show InChI InChI=1S/C17H13N3O2/c1-22-13-4-2-3-11-14-12(17(18)21)7-9-8-19-6-5-10(9)16(14)20-15(11)13/h2-8,20H,1H3,(H2,18,21)
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n/an/a 600n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208636
PNG
(CHEMBL3884932)
Show SMILES COc1ccc2[nH]c3c(c(cc4cncc(OC)c34)C#N)c2c1
Show InChI InChI=1S/C18H13N3O2/c1-22-12-3-4-14-13(6-12)16-10(7-19)5-11-8-20-9-15(23-2)17(11)18(16)21-14/h3-6,8-9,21H,1-2H3
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n/an/a 600n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208637
PNG
(CHEMBL3884845)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(CN(C)C)cc2cnccc12
Show InChI InChI=1S/C19H19N3O/c1-22(2)11-13-8-12-10-20-7-6-15(12)19-18(13)16-5-4-14(23-3)9-17(16)21-19/h4-10,21H,11H2,1-3H3
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n/an/a 670n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208724
PNG
(CHEMBL3884250)
Show SMILES COc1cccc2[nH]c3c(c(cc4cnccc34)C#N)c12
Show InChI InChI=1S/C17H11N3O/c1-21-14-4-2-3-13-16(14)15-10(8-18)7-11-9-19-6-5-12(11)17(15)20-13/h2-7,9,20H,1H3
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n/an/a 850n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208711
PNG
(CHEMBL3885335)
Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1
Show InChI InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)
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n/an/a 850n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208716
PNG
(CHEMBL3885328)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(CN)cc2cnccc12
Show InChI InChI=1S/C17H15N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,8,18H2,1H3
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n/an/a 870n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208624
PNG
(CHEMBL3885360)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(CNC(C)=O)cc2cnccc12
Show InChI InChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23)
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n/an/a 970n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208630
PNG
(CHEMBL3751934)
Show SMILES COc1cccc2c(c[nH]c12)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C17H13N3O/c1-21-16-6-2-5-14-15(11-20-17(14)16)13(9-18)8-12-4-3-7-19-10-12/h2-8,10-11,20H,1H3/b13-8+
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n/an/a 1.20E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50140930
PNG
(CHEMBL3753970)
Show SMILES COc1ccc2c(c[nH]c2c1)C(=C\c1cccnc1)\C#N
Show InChI InChI=1S/C17H13N3O/c1-21-14-4-5-15-16(11-20-17(15)8-14)13(9-18)7-12-3-2-6-19-10-12/h2-8,10-11,20H,1H3/b13-7+
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n/an/a 1.60E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208641
PNG
(CHEMBL3884086)
Show SMILES Fc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1
Show InChI InChI=1S/C16H10FN3/c17-13-3-4-16-14(7-13)15(10-20-16)12(8-18)6-11-2-1-5-19-9-11/h1-7,9-10,20H/b12-6+
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n/an/a 1.80E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208634
PNG
(CHEMBL3884861)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C(N)=O
Show InChI InChI=1S/C17H13N3O2/c1-22-10-2-3-12-14(7-10)20-16-11-4-5-19-8-9(11)6-13(15(12)16)17(18)21/h2-8,20H,1H3,(H2,18,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208632
PNG
(CHEMBL3883541)
Show SMILES N#Cc1cc2ccccc2c2[nH]c3ccccc3c12
Show InChI InChI=1S/C17H10N2/c18-10-12-9-11-5-1-2-6-13(11)17-16(12)14-7-3-4-8-15(14)19-17/h1-9,19H
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n/an/a 2.30E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208726
PNG
(CHEMBL3885043)
Show SMILES Clc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1
Show InChI InChI=1S/C16H10ClN3/c17-13-3-4-16-14(7-13)15(10-20-16)12(8-18)6-11-2-1-5-19-9-11/h1-7,9-10,20H/b12-6+
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n/an/a 3.30E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208720
PNG
(CHEMBL3884583)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C(N)=O
Show InChI InChI=1S/C18H15N3O3/c1-23-10-3-4-11-13(6-10)21-17-15-9(7-20-8-14(15)24-2)5-12(16(11)17)18(19)22/h3-8,21H,1-2H3,(H2,19,22)
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n/an/a 3.30E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208725
PNG
(CHEMBL3883458)
Show SMILES Clc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
Show InChI InChI=1S/C16H8ClN3/c17-11-1-2-14-13(6-11)15-9(7-18)5-10-8-19-4-3-12(10)16(15)20-14/h1-6,8,20H
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n/an/a 4.00E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208628
PNG
(CHEMBL3885036)
Show SMILES COc1ccc2[nH]c3c(c(C#N)c([nH]c3=O)-c3cccnc3)c2c1
Show InChI InChI=1S/C18H12N4O2/c1-24-11-4-5-14-12(7-11)15-13(8-19)16(10-3-2-6-20-9-10)22-18(23)17(15)21-14/h2-7,9,21H,1H3,(H,22,23)
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n/an/a 4.30E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208643
PNG
(CHEMBL3885021)
Show SMILES COc1ccc2[nH]cc3C(C#N)=C(NC(C)c1c23)c1cccnc1 |c:11|
Show InChI InChI=1S/C19H16N4O/c1-11-17-16(24-2)6-5-15-18(17)14(10-22-15)13(8-20)19(23-11)12-4-3-7-21-9-12/h3-7,9-11,22-23H,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208719
PNG
(CHEMBL3885333)
Show SMILES COc1ccc2[nH]cc(\C(=C\c3cnccc3C)C#N)c2c1
Show InChI InChI=1S/C18H15N3O/c1-12-5-6-20-10-14(12)7-13(9-19)17-11-21-18-4-3-15(22-2)8-16(17)18/h3-8,10-11,21H,1-2H3/b13-7+
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n/an/a 5.50E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50140923
PNG
(CHEMBL3753955)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+
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n/an/a 5.50E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208640
PNG
(CHEMBL3883448)
Show SMILES COc1ccc2c(c[nH]c2n1)-c1ccncc1
Show InChI InChI=1S/C13H11N3O/c1-17-12-3-2-10-11(8-15-13(10)16-12)9-4-6-14-7-5-9/h2-8H,1H3,(H,15,16)
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n/an/a 5.80E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50140931
PNG
(CHEMBL3753782)
Show SMILES COc1cccc2[nH]cc(\C(=C\c3cccnc3)C#N)c12
Show InChI InChI=1S/C17H13N3O/c1-21-16-6-2-5-15-17(16)14(11-20-15)13(9-18)8-12-4-3-7-19-10-12/h2-8,10-11,20H,1H3/b13-8+
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n/an/a 6.00E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50140929
PNG
(CHEMBL3754608)
Show SMILES COc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1
Show InChI InChI=1S/C17H13N3O/c1-21-14-4-5-17-15(8-14)16(11-20-17)13(9-18)7-12-3-2-6-19-10-12/h2-8,10-11,20H,1H3/b13-7+
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n/an/a 6.30E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208714
PNG
(CHEMBL3884031)
Show SMILES COc1ccc2c(CC#N)c([nH]c2n1)-c1ccncc1
Show InChI InChI=1S/C15H12N4O/c1-20-13-3-2-12-11(4-7-16)14(19-15(12)18-13)10-5-8-17-9-6-10/h2-3,5-6,8-9H,4H2,1H3,(H,18,19)
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n/an/a 7.30E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208631
PNG
(CHEMBL3884764)
Show SMILES COc1ccc2[nH]cc(\C(C#N)=C(/N)c3cccnc3)c2c1
Show InChI InChI=1S/C17H14N4O/c1-22-12-4-5-16-13(7-12)15(10-21-16)14(8-18)17(19)11-3-2-6-20-9-11/h2-7,9-10,21H,19H2,1H3/b17-14-
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208629
PNG
(CHEMBL3884241)
Show SMILES N#C\C(=C/c1ccccn1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-10-12(9-13-5-3-4-8-18-13)15-11-19-16-7-2-1-6-14(15)16/h1-9,11,19H/b12-9+
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208723
PNG
(CHEMBL3883580)
Show SMILES N#Cc1cc2ncccc2c2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H9N3/c17-9-10-8-14-12(5-3-7-18-14)16-15(10)11-4-1-2-6-13(11)19-16/h1-8,19H
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n/an/a 1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208708
PNG
(CHEMBL3883813)
Show SMILES COc1ccc2cc([nH]c2n1)-c1ccncc1
Show InChI InChI=1S/C13H11N3O/c1-17-12-3-2-10-8-11(15-13(10)16-12)9-4-6-14-7-5-9/h2-8H,1H3,(H,15,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208713
PNG
(CHEMBL3885092)
Show SMILES N#C\C(=C/c1ccncc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-10-13(9-12-5-7-18-8-6-12)15-11-19-16-4-2-1-3-14(15)16/h1-9,11,19H/b13-9+
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208718
PNG
(CHEMBL3885482)
Show SMILES N#Cc1cc2ccccn2c2nc3ccccc3c12
Show InChI InChI=1S/C16H9N3/c17-10-11-9-12-5-3-4-8-19(12)16-15(11)13-6-1-2-7-14(13)18-16/h1-9H
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208728
PNG
(CHEMBL3885267)
Show SMILES N#Cc1cc2cccnc2c2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H9N3/c17-9-11-8-10-4-3-7-18-15(10)16-14(11)12-5-1-2-6-13(12)19-16/h1-8,19H
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208712
PNG
(CHEMBL3883356)
Show SMILES N#C\C(=C\c1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8-
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208642
PNG
(CHEMBL3883943)
Show SMILES COc1ccc2[nH]cc(\C(=C\c3cncc(OC)c3)C#N)c2c1
Show InChI InChI=1S/C18H15N3O2/c1-22-14-3-4-18-16(7-14)17(11-21-18)13(8-19)5-12-6-15(23-2)10-20-9-12/h3-7,9-11,21H,1-2H3/b13-5+
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208722
PNG
(CHEMBL3884113)
Show SMILES Nc1nc2ccccc2c2cc3cnccc3cc12
Show InChI InChI=1S/C16H11N3/c17-16-14-7-10-5-6-18-9-11(10)8-13(14)12-3-1-2-4-15(12)19-16/h1-9H,(H2,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208727
PNG
(CHEMBL3884027)
Show SMILES N#C\C(=C/c1ccccc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H12N2/c18-11-14(10-13-6-2-1-3-7-13)16-12-19-17-9-5-4-8-15(16)17/h1-10,12,19H/b14-10+
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair