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Compile Data Set for Download or QSAR

Found 27 hits from CNRS UMR 7311   
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))
BDBM50114782
PNG
(CHEMBL3609671)
Show SMILES Cc1cccnc1NC(=O)Nc1cccc2C(=O)N3CC[C@@H](O)C[C@H]3c12
Show InChI InChI=1S/C19H20N4O3/c1-11-4-3-8-20-17(11)22-19(26)21-14-6-2-5-13-16(14)15-10-12(24)7-9-23(15)18(13)25/h2-6,8,12,15,24H,7,9-10H2,1H3,(H2,20,21,22,26)/t12-,15+/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114696
PNG
(CHEMBL3609662)
Show SMILES Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CC[C@@H](O)C[C@H]4c23)n1
Show InChI InChI=1S/C19H20N4O3/c1-11-4-2-7-16(20-11)22-19(26)21-14-6-3-5-13-17(14)15-10-12(24)8-9-23(15)18(13)25/h2-7,12,15,24H,8-10H2,1H3,(H2,20,21,22,26)/t12-,15+/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114788
PNG
(CHEMBL3609745)
Show SMILES Brc1cccc(NC(=O)Nc2cccc3C(=O)N4CCC5(CC4c23)SCCS5)n1
Show InChI InChI=1S/C20H19BrN4O2S2/c21-15-5-2-6-16(23-15)24-19(27)22-13-4-1-3-12-17(13)14-11-20(28-9-10-29-20)7-8-25(14)18(12)26/h1-6,14H,7-11H2,(H2,22,23,24,27)
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n/an/a 8.70E+3n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114577
PNG
(CHEMBL3609566)
Show SMILES CO[C@@H]1CCN2[C@@H](C1)c1c(cccc1NC(=O)Nc1ccccn1)C2=O
Show InChI InChI=1S/C19H20N4O3/c1-26-12-8-10-23-15(11-12)17-13(18(23)24)5-4-6-14(17)21-19(25)22-16-7-2-3-9-20-16/h2-7,9,12,15H,8,10-11H2,1H3,(H2,20,21,22,25)/t12-,15+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114576
PNG
(CHEMBL3609565)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC4(CC3c12)SCCS4
Show InChI InChI=1S/C20H20N4O2S2/c25-18-13-4-3-5-14(22-19(26)23-16-6-1-2-8-21-16)17(13)15-12-20(7-9-24(15)18)27-10-11-28-20/h1-6,8,15H,7,9-12H2,(H2,21,22,23,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114787
PNG
(CHEMBL3609744)
Show SMILES CO[C@@H]1CCN2[C@@H](C1)c1c(cccc1NC(=O)Nc1cc(C)ccn1)C2=O
Show InChI InChI=1S/C20H22N4O3/c1-12-6-8-21-17(10-12)23-20(26)22-15-5-3-4-14-18(15)16-11-13(27-2)7-9-24(16)19(14)25/h3-6,8,10,13,16H,7,9,11H2,1-2H3,(H2,21,22,23,26)/t13-,16+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114786
PNG
(CHEMBL3609675)
Show SMILES CO[C@@H]1CCN2[C@@H](C1)c1c(cccc1NC(=O)Nc1cnc(C)cn1)C2=O
Show InChI InChI=1S/C19H21N5O3/c1-11-9-21-16(10-20-11)23-19(26)22-14-5-3-4-13-17(14)15-8-12(27-2)6-7-24(15)18(13)25/h3-5,9-10,12,15H,6-8H2,1-2H3,(H2,21,22,23,26)/t12-,15+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114785
PNG
(CHEMBL3609674)
Show SMILES Cc1cnc(NC(=O)Nc2cccc3C(=O)N4CCC5(CC4c23)SCCS5)cn1
Show InChI InChI=1S/C20H21N5O2S2/c1-12-10-22-16(11-21-12)24-19(27)23-14-4-2-3-13-17(14)15-9-20(28-7-8-29-20)5-6-25(15)18(13)26/h2-4,10-11,15H,5-9H2,1H3,(H2,22,23,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114784
PNG
(CHEMBL3609673)
Show SMILES CO[C@@H]1CCN2[C@@H](C1)c1c(cccc1NC(=O)Nc1ccn(C)n1)C2=O
Show InChI InChI=1S/C18H21N5O3/c1-22-8-7-15(21-22)20-18(25)19-13-5-3-4-12-16(13)14-10-11(26-2)6-9-23(14)17(12)24/h3-5,7-8,11,14H,6,9-10H2,1-2H3,(H2,19,20,21,25)/t11-,14+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114581
PNG
(CHEMBL3609654)
Show SMILES O=C(Nc1cnccn1)Nc1cccc2C(=O)N3CCC4(CC3c12)SCCS4
Show InChI InChI=1S/C19H19N5O2S2/c25-17-12-2-1-3-13(22-18(26)23-15-11-20-5-6-21-15)16(12)14-10-19(4-7-24(14)17)27-8-9-28-19/h1-3,5-6,11,14H,4,7-10H2,(H2,21,22,23,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114663
PNG
(CHEMBL3609655)
Show SMILES CO[C@@H]1CCN2[C@@H](C1)c1c(cccc1NC(=O)Nc1cnccn1)C2=O
Show InChI InChI=1S/C18H19N5O3/c1-26-11-5-8-23-14(9-11)16-12(17(23)24)3-2-4-13(16)21-18(25)22-15-10-19-6-7-20-15/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H2,20,21,22,25)/t11-,14+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114689
PNG
(CHEMBL3609657)
Show SMILES O[C@@H]1CCN2[C@@H](C1)c1c(cccc1NC(=O)Nc1cnccn1)C2=O
Show InChI InChI=1S/C17H17N5O3/c23-10-4-7-22-13(8-10)15-11(16(22)24)2-1-3-12(15)20-17(25)21-14-9-18-5-6-19-14/h1-3,5-6,9-10,13,23H,4,7-8H2,(H2,19,20,21,25)/t10-,13+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114692
PNG
(CHEMBL3609658)
Show SMILES Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCC5(CC4c23)OCCO5)n1
Show InChI InChI=1S/C21H22N4O4/c1-13-4-2-7-17(22-13)24-20(27)23-15-6-3-5-14-18(15)16-12-21(28-10-11-29-21)8-9-25(16)19(14)26/h2-7,16H,8-12H2,1H3,(H2,22,23,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114694
PNG
(CHEMBL3609659)
Show SMILES Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCC5(CC4c23)SCCS5)n1
Show InChI InChI=1S/C21H22N4O2S2/c1-13-4-2-7-17(22-13)24-20(27)23-15-6-3-5-14-18(15)16-12-21(28-10-11-29-21)8-9-25(16)19(14)26/h2-7,16H,8-12H2,1H3,(H2,22,23,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114695
PNG
(CHEMBL3609660)
Show SMILES CO[C@@H]1CCN2[C@@H](C1)c1c(cccc1NC(=O)Nc1cccc(C)n1)C2=O
Show InChI InChI=1S/C20H22N4O3/c1-12-5-3-8-17(21-12)23-20(26)22-15-7-4-6-14-18(15)16-11-13(27-2)9-10-24(16)19(14)25/h3-8,13,16H,9-11H2,1-2H3,(H2,21,22,23,26)/t13-,16+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114697
PNG
(CHEMBL3609663)
Show SMILES COc1cc(NC(=O)Nc2cccc3C(=O)N4CCC5(CC4c23)OCCO5)nc2ccccc12
Show InChI InChI=1S/C25H24N4O5/c1-32-20-13-21(26-17-7-3-2-5-15(17)20)28-24(31)27-18-8-4-6-16-22(18)19-14-25(33-11-12-34-25)9-10-29(19)23(16)30/h2-8,13,19H,9-12,14H2,1H3,(H2,26,27,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114698
PNG
(CHEMBL3609664)
Show SMILES COc1cc(NC(=O)Nc2cccc3C(=O)N4CCC5(CC4c23)SCCS5)nc2ccccc12
Show InChI InChI=1S/C25H24N4O3S2/c1-32-20-13-21(26-17-7-3-2-5-15(17)20)28-24(31)27-18-8-4-6-16-22(18)19-14-25(33-11-12-34-25)9-10-29(19)23(16)30/h2-8,13,19H,9-12,14H2,1H3,(H2,26,27,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114699
PNG
(CHEMBL3609665)
Show SMILES CO[C@@H]1CCN2[C@@H](C1)c1c(cccc1NC(=O)Nc1cc(OC)c3ccccc3n1)C2=O
Show InChI InChI=1S/C24H24N4O4/c1-31-14-10-11-28-19(12-14)22-16(23(28)29)7-5-9-18(22)26-24(30)27-21-13-20(32-2)15-6-3-4-8-17(15)25-21/h3-9,13-14,19H,10-12H2,1-2H3,(H2,25,26,27,30)/t14-,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114779
PNG
(CHEMBL3609667)
Show SMILES COc1cc(NC(=O)Nc2cccc3C(=O)N4CC[C@@H](O)C[C@H]4c23)nc2ccccc12
Show InChI InChI=1S/C23H22N4O4/c1-31-19-12-20(24-16-7-3-2-5-14(16)19)26-23(30)25-17-8-4-6-15-21(17)18-11-13(28)9-10-27(18)22(15)29/h2-8,12-13,18,28H,9-11H2,1H3,(H2,24,25,26,30)/t13-,18+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114780
PNG
(CHEMBL3609668)
Show SMILES Cc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCC4(CC3c12)OCCO4
Show InChI InChI=1S/C21H22N4O4/c1-13-4-3-8-22-18(13)24-20(27)23-15-6-2-5-14-17(15)16-12-21(28-10-11-29-21)7-9-25(16)19(14)26/h2-6,8,16H,7,9-12H2,1H3,(H2,22,23,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114781
PNG
(CHEMBL3609669)
Show SMILES CO[C@@H]1CCN2[C@@H](C1)c1c(cccc1NC(=O)Nc1ncccc1C)C2=O
Show InChI InChI=1S/C20H22N4O3/c1-12-5-4-9-21-18(12)23-20(26)22-15-7-3-6-14-17(15)16-11-13(27-2)8-10-24(16)19(14)25/h3-7,9,13,16H,8,10-11H2,1-2H3,(H2,21,22,23,26)/t13-,16+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114783
PNG
(CHEMBL3609672)
Show SMILES Cn1ccc(NC(=O)Nc2cccc3C(=O)N4CCC5(CC4c23)SCCS5)n1
Show InChI InChI=1S/C19H21N5O2S2/c1-23-7-5-15(22-23)21-18(26)20-13-4-2-3-12-16(13)14-11-19(27-9-10-28-19)6-8-24(14)17(12)25/h2-5,7,14H,6,8-11H2,1H3,(H2,20,21,22,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114578
PNG
(CHEMBL3609567)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC(=O)CC3c12
Show InChI InChI=1S/C18H16N4O3/c23-11-7-9-22-14(10-11)16-12(17(22)24)4-3-5-13(16)20-18(25)21-15-6-1-2-8-19-15/h1-6,8,14H,7,9-10H2,(H2,19,20,21,25)
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n/an/a 2.50E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114579
PNG
(CHEMBL3609568)
Show SMILES O[C@@H]1CCN2[C@@H](C1)c1c(cccc1NC(=O)Nc1ccccn1)C2=O
Show InChI InChI=1S/C18H18N4O3/c23-11-7-9-22-14(10-11)16-12(17(22)24)4-3-5-13(16)20-18(25)21-15-6-1-2-8-19-15/h1-6,8,11,14,23H,7,9-10H2,(H2,19,20,21,25)/t11-,14+/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114678
PNG
(CHEMBL3609656)
Show SMILES O=C(Nc1cnccn1)Nc1cccc2C(=O)N3CCC(=O)CC3c12
Show InChI InChI=1S/C17H15N5O3/c23-10-4-7-22-13(8-10)15-11(16(22)24)2-1-3-12(15)20-17(25)21-14-9-18-5-6-19-14/h1-3,5-6,9,13H,4,7-8H2,(H2,19,20,21,25)
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n/an/a 5.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114575
PNG
(CHEMBL3609564)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC4(CC3c12)OCCO4
Show InChI InChI=1S/C20H20N4O4/c25-18-13-4-3-5-14(22-19(26)23-16-6-1-2-8-21-16)17(13)15-12-20(7-9-24(15)18)27-10-11-28-20/h1-6,8,15H,7,9-12H2,(H2,21,22,23,26)
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n/an/a 8.00E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50114580
PNG
(CHEMBL3609569)
Show SMILES O=C(Nc1cnccn1)Nc1cccc2C(=O)N3CCC4(CC3c12)OCCO4
Show InChI InChI=1S/C19H19N5O4/c25-17-12-2-1-3-13(22-18(26)23-15-11-20-5-6-21-15)16(12)14-10-19(4-7-24(14)17)27-8-9-28-19/h1-3,5-6,11,14H,4,7-10H2,(H2,21,22,23,26)
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n/an/a 9.30E+4n/an/an/an/an/an/a



CNRS UMR 7311

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli


Eur J Med Chem 101: 274-87 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.046
BindingDB Entry DOI: 10.7270/Q24T6M53
More data for this
Ligand-Target Pair