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Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'alami' and Initial = 'm'   
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))
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



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificty protein kinase CLK1


(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 72n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204658
PNG
(CHEMBL3908596)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(Br)ccc2n1
Show InChI InChI=1S/C14H10BrN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a 700n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204646
PNG
(CHEMBL3962894)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(O)ccc2n1
Show InChI InChI=1S/C14H11N3O3/c15-14(20)10-5-8(1-3-12(10)19)11-7-17-6-9(18)2-4-13(17)16-11/h1-7,18-19H,(H2,15,20)
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n/an/a 890n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204644
PNG
(CHEMBL3935442)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccccc2n1
Show InChI InChI=1S/C14H11N3O2/c15-14(19)10-7-9(4-5-12(10)18)11-8-17-6-2-1-3-13(17)16-11/h1-8,18H,(H2,15,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204647
PNG
(CHEMBL3917542)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H10ClN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204653
PNG
(CHEMBL3945429)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(F)ccc2n1
Show InChI InChI=1S/C14H10FN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(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 1.50E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204659
PNG
(CHEMBL3923825)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccncc2n1
Show InChI InChI=1S/C13H10N4O2/c14-13(19)9-5-8(1-2-11(9)18)10-7-17-4-3-15-6-12(17)16-10/h1-7,18H,(H2,14,19)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204658
PNG
(CHEMBL3908596)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(Br)ccc2n1
Show InChI InChI=1S/C14H10BrN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204646
PNG
(CHEMBL3962894)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(O)ccc2n1
Show InChI InChI=1S/C14H11N3O3/c15-14(20)10-5-8(1-3-12(10)19)11-7-17-6-9(18)2-4-13(17)16-11/h1-7,18-19H,(H2,15,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204644
PNG
(CHEMBL3935442)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccccc2n1
Show InChI InChI=1S/C14H11N3O2/c15-14(19)10-7-9(4-5-12(10)18)11-8-17-6-2-1-3-13(17)16-11/h1-8,18H,(H2,15,19)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204653
PNG
(CHEMBL3945429)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(F)ccc2n1
Show InChI InChI=1S/C14H10FN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204659
PNG
(CHEMBL3923825)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccncc2n1
Show InChI InChI=1S/C13H10N4O2/c14-13(19)9-5-8(1-2-11(9)18)10-7-17-4-3-15-6-12(17)16-10/h1-7,18H,(H2,14,19)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204647
PNG
(CHEMBL3917542)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H10ClN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204643
PNG
(CHEMBL3921647)
Show SMILES NC(=O)c1cccc(c1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H10ClN3O/c15-11-4-5-13-17-12(8-18(13)7-11)9-2-1-3-10(6-9)14(16)19/h1-8H,(H2,16,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204644
PNG
(CHEMBL3935442)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccccc2n1
Show InChI InChI=1S/C14H11N3O2/c15-14(19)10-7-9(4-5-12(10)18)11-8-17-6-2-1-3-13(17)16-11/h1-8,18H,(H2,15,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204643
PNG
(CHEMBL3921647)
Show SMILES NC(=O)c1cccc(c1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H10ClN3O/c15-11-4-5-13-17-12(8-18(13)7-11)9-2-1-3-10(6-9)14(16)19/h1-8H,(H2,16,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204649
PNG
(CHEMBL3936539)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(I)ccc2n1
Show InChI InChI=1S/C14H10IN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204650
PNG
(CHEMBL3912662)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(ccc2n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H14N4O4/c21-20(26)16-9-13(3-7-18(16)25)17-11-23-10-14(4-8-19(23)22-17)12-1-5-15(6-2-12)24(27)28/h1-11,25H,(H2,21,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204642
PNG
(CHEMBL3985735)
Show SMILES COc1cc(cc(OC)c1OC)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C16H15ClN2O3/c1-20-13-6-10(7-14(21-2)16(13)22-3)12-9-19-8-11(17)4-5-15(19)18-12/h4-9H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204650
PNG
(CHEMBL3912662)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(ccc2n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H14N4O4/c21-20(26)16-9-13(3-7-18(16)25)17-11-23-10-14(4-8-19(23)22-17)12-1-5-15(6-2-12)24(27)28/h1-11,25H,(H2,21,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204655
PNG
(CHEMBL3902603)
Show SMILES COc1ccc(cc1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H11ClN2O/c1-18-12-5-2-10(3-6-12)13-9-17-8-11(15)4-7-14(17)16-13/h2-9H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204654
PNG
(CHEMBL3893635)
Show SMILES Nc1ccc(cc1Br)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C13H9BrClN3/c14-10-5-8(1-3-11(10)16)12-7-18-6-9(15)2-4-13(18)17-12/h1-7H,16H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204659
PNG
(CHEMBL3923825)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccncc2n1
Show InChI InChI=1S/C13H10N4O2/c14-13(19)9-5-8(1-2-11(9)18)10-7-17-4-3-15-6-12(17)16-10/h1-7,18H,(H2,14,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204643
PNG
(CHEMBL3921647)
Show SMILES NC(=O)c1cccc(c1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H10ClN3O/c15-11-4-5-13-17-12(8-18(13)7-11)9-2-1-3-10(6-9)14(16)19/h1-8H,(H2,16,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204652
PNG
(CHEMBL3974565)
Show SMILES COc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C21H17N3O3/c1-27-16-6-2-13(3-7-16)15-5-9-20-23-18(12-24(20)11-15)14-4-8-19(25)17(10-14)21(22)26/h2-12,25H,1H3,(H2,22,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204657
PNG
(CHEMBL3930589)
Show SMILES Oc1ccc(cc1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C13H9ClN2O/c14-10-3-6-13-15-12(8-16(13)7-10)9-1-4-11(17)5-2-9/h1-8,17H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204660
PNG
(CHEMBL3939584)
Show SMILES COc1cccc(c1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H11ClN2O/c1-18-12-4-2-3-10(7-12)13-9-17-8-11(15)5-6-14(17)16-13/h2-9H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204644
PNG
(CHEMBL3935442)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2ccccc2n1
Show InChI InChI=1S/C14H11N3O2/c15-14(19)10-7-9(4-5-12(10)18)11-8-17-6-2-1-3-13(17)16-11/h1-8,18H,(H2,15,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204652
PNG
(CHEMBL3974565)
Show SMILES COc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C21H17N3O3/c1-27-16-6-2-13(3-7-16)15-5-9-20-23-18(12-24(20)11-15)14-4-8-19(25)17(10-14)21(22)26/h2-12,25H,1H3,(H2,22,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204655
PNG
(CHEMBL3902603)
Show SMILES COc1ccc(cc1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H11ClN2O/c1-18-12-5-2-10(3-6-12)13-9-17-8-11(15)4-7-14(17)16-13/h2-9H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204656
PNG
(CHEMBL3903644)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(N)ccc2n1
Show InChI InChI=1S/C14H12N4O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,15H2,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204645
PNG
(CHEMBL3957926)
Show SMILES COc1ccc(cc1O)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H11ClN2O2/c1-19-13-4-2-9(6-12(13)18)11-8-17-7-10(15)3-5-14(17)16-11/h2-8,18H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204651
PNG
(CHEMBL3911609)
Show SMILES COc1cc(OC)cc(c1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C15H13ClN2O2/c1-19-12-5-10(6-13(7-12)20-2)14-9-18-8-11(16)3-4-15(18)17-14/h3-9H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204658
PNG
(CHEMBL3908596)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(Br)ccc2n1
Show InChI InChI=1S/C14H10BrN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204650
PNG
(CHEMBL3912662)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(ccc2n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H14N4O4/c21-20(26)16-9-13(3-7-18(16)25)17-11-23-10-14(4-8-19(23)22-17)12-1-5-15(6-2-12)24(27)28/h1-11,25H,(H2,21,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204653
PNG
(CHEMBL3945429)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(F)ccc2n1
Show InChI InChI=1S/C14H10FN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204656
PNG
(CHEMBL3903644)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(N)ccc2n1
Show InChI InChI=1S/C14H12N4O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,15H2,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204647
PNG
(CHEMBL3917542)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H10ClN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50204652
PNG
(CHEMBL3974565)
Show SMILES COc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C21H17N3O3/c1-27-16-6-2-13(3-7-16)15-5-9-20-23-18(12-24(20)11-15)14-4-8-19(25)17(10-14)21(22)26/h2-12,25H,1H3,(H2,22,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204653
PNG
(CHEMBL3945429)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(F)ccc2n1
Show InChI InChI=1S/C14H10FN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204649
PNG
(CHEMBL3936539)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(I)ccc2n1
Show InChI InChI=1S/C14H10IN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204647
PNG
(CHEMBL3917542)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H10ClN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204656
PNG
(CHEMBL3903644)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(N)ccc2n1
Show InChI InChI=1S/C14H12N4O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,15H2,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204650
PNG
(CHEMBL3912662)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(ccc2n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H14N4O4/c21-20(26)16-9-13(3-7-18(16)25)17-11-23-10-14(4-8-19(23)22-17)12-1-5-15(6-2-12)24(27)28/h1-11,25H,(H2,21,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50204643
PNG
(CHEMBL3921647)
Show SMILES NC(=O)c1cccc(c1)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C14H10ClN3O/c15-11-4-5-13-17-12(8-18(13)7-11)9-2-1-3-10(6-9)14(16)19/h1-8H,(H2,16,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50204642
PNG
(CHEMBL3985735)
Show SMILES COc1cc(cc(OC)c1OC)-c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C16H15ClN2O3/c1-20-13-6-10(7-14(21-2)16(13)22-3)12-9-19-8-11(17)4-5-15(19)18-12/h4-9H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta/epsilon (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50204658
PNG
(CHEMBL3908596)
Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(Br)ccc2n1
Show InChI InChI=1S/C14H10BrN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of GSK-3 alpha/beta (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
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