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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50003044   
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
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50466167
PNG
(CHEMBL4278808)
Show SMILES Oc1ccc(c(F)c1)-c1nc2ccc3[nH]ncc3c2c2CCCCc12
Show InChI InChI=1S/C20H16FN3O/c21-16-9-11(25)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-22-24-17(15)7-8-18(19)23-20/h5-10,25H,1-4H2,(H,22,24)
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n/an/a 12n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of Haspin (unknown origin) after 3 hrs by ADP-Glo assay


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466158
PNG
(CHEMBL4290247)
Show SMILES Fc1ccc(CC(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H16FN3OS/c23-19-5-3-15(4-6-19)8-22(27)26-20-9-17(12-25-13-20)21-10-18(14-28-21)16-2-1-7-24-11-16/h1-7,9-14H,8H2,(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466158
PNG
(CHEMBL4290247)
Show SMILES Fc1ccc(CC(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H16FN3OS/c23-19-5-3-15(4-6-19)8-22(27)26-20-9-17(12-25-13-20)21-10-18(14-28-21)16-2-1-7-24-11-16/h1-7,9-14H,8H2,(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Dyrk1A expressed in Baculovirus expression system by Z'-LYTE assay


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466168
PNG
(CHEMBL4282366)
Show SMILES O=C(Cc1ccccc1)Nc1cncc(c1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C22H17N3OS/c26-22(9-16-5-2-1-3-6-16)25-20-10-18(13-24-14-20)21-11-19(15-27-21)17-7-4-8-23-12-17/h1-8,10-15H,9H2,(H,25,26)
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n/an/a 15n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466164
PNG
(CHEMBL4283474)
Show SMILES Fc1cc(F)c(C(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)c(F)c1
Show InChI InChI=1S/C21H12F3N3OS/c22-15-6-17(23)20(18(24)7-15)21(28)27-16-4-13(9-26-10-16)19-5-14(11-29-19)12-2-1-3-25-8-12/h1-11H,(H,27,28)
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n/an/a 24n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50466158
PNG
(CHEMBL4290247)
Show SMILES Fc1ccc(CC(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H16FN3OS/c23-19-5-3-15(4-6-19)8-22(27)26-20-9-17(12-25-13-20)21-10-18(14-28-21)16-2-1-7-24-11-16/h1-7,9-14H,8H2,(H,26,27)
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n/an/a 36n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Haspin expressed in Baculovirus expression system by Adapta assay


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466157
PNG
(CHEMBL4294049)
Show SMILES COc1ccc(C(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)c(F)c1
Show InChI InChI=1S/C22H16FN3O2S/c1-28-18-4-5-19(20(23)9-18)22(27)26-17-7-15(11-25-12-17)21-8-16(13-29-21)14-3-2-6-24-10-14/h2-13H,1H3,(H,26,27)
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n/an/a 37n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466169
PNG
(CHEMBL4295177)
Show SMILES Fc1ccc(C(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)c(F)c1
Show InChI InChI=1S/C21H13F2N3OS/c22-16-3-4-18(19(23)8-16)21(27)26-17-6-14(10-25-11-17)20-7-15(12-28-20)13-2-1-5-24-9-13/h1-12H,(H,26,27)
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n/an/a 49n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466159
PNG
(CHEMBL4292471)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cncc(c1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C22H17N3OS/c1-15-4-6-16(7-5-15)22(26)25-20-9-18(12-24-13-20)21-10-19(14-27-21)17-3-2-8-23-11-17/h2-14H,1H3,(H,25,26)
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n/an/a 51n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466158
PNG
(CHEMBL4290247)
Show SMILES Fc1ccc(CC(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H16FN3OS/c23-19-5-3-15(4-6-19)8-22(27)26-20-9-17(12-25-13-20)21-10-18(14-28-21)16-2-1-7-24-11-16/h1-7,9-14H,8H2,(H,26,27)
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n/an/a 79n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A in human HeLa cells transfected with GFP-SF3b1-NT assessed as decrease in SF3B1 phosphorylation at Thr434 after 18 hrs by Wester...


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466162
PNG
(CHEMBL4291297)
Show SMILES Clc1ccccc1C(=O)Nc1cncc(c1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C21H14ClN3OS/c22-19-6-2-1-5-18(19)21(26)25-17-8-15(11-24-12-17)20-9-16(13-27-20)14-4-3-7-23-10-14/h1-13H,(H,25,26)
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n/an/a 91n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466161
PNG
(CHEMBL4281037)
Show SMILES Nc1cncc(c1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C14H11N3S/c15-13-4-11(7-17-8-13)14-5-12(9-18-14)10-2-1-3-16-6-10/h1-9H,15H2
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n/an/a 101n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466171
PNG
(CHEMBL4290223)
Show SMILES Fc1ccccc1C(=O)Nc1cncc(c1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C21H14FN3OS/c22-19-6-2-1-5-18(19)21(26)25-17-8-15(11-24-12-17)20-9-16(13-27-20)14-4-3-7-23-10-14/h1-13H,(H,25,26)
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n/an/a 107n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466165
PNG
(CHEMBL4286821)
Show SMILES O=C(Nc1cncc(c1)-c1cc(cs1)-c1cccnc1)c1ccncc1
Show InChI InChI=1S/C20H14N4OS/c25-20(14-3-6-21-7-4-14)24-18-8-16(11-23-12-18)19-9-17(13-26-19)15-2-1-5-22-10-15/h1-13H,(H,24,25)
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n/an/a 107n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50466170
PNG
(CHEMBL4282261)
Show SMILES Nc1cncc(c1)-c1csc(c1)-c1cccnc1
Show InChI InChI=1S/C14H11N3S/c15-13-4-11(7-17-8-13)12-5-14(18-9-12)10-2-1-3-16-6-10/h1-9H,15H2
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n/an/a 130n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1B expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50466161
PNG
(CHEMBL4281037)
Show SMILES Nc1cncc(c1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C14H11N3S/c15-13-4-11(7-17-8-13)14-5-12(9-18-14)10-2-1-3-16-6-10/h1-9H,15H2
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n/an/a 154n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1B expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466163
PNG
(CHEMBL4286803)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cncc(c1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C21H14FN3OS/c22-18-5-3-14(4-6-18)21(26)25-19-8-16(11-24-12-19)20-9-17(13-27-20)15-2-1-7-23-10-15/h1-13H,(H,25,26)
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n/an/a 183n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50466166
PNG
(CHEMBL4285559)
Show SMILES Nc1ccc(cn1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C14H11N3S/c15-14-4-3-11(8-17-14)13-6-12(9-18-13)10-2-1-5-16-7-10/h1-9H,(H2,15,17)
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n/an/a 251n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1B expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50466164
PNG
(CHEMBL4283474)
Show SMILES Fc1cc(F)c(C(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)c(F)c1
Show InChI InChI=1S/C21H12F3N3OS/c22-15-6-17(23)20(18(24)7-15)21(28)27-16-4-13(9-26-10-16)19-5-14(11-29-19)12-2-1-3-25-8-12/h1-11H,(H,27,28)
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n/an/a 299n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1B expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50466160
PNG
(CHEMBL4280981)
Show SMILES c1sc(cc1-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C14H10N2S/c1-3-11(8-15-5-1)13-7-14(17-10-13)12-4-2-6-16-9-12/h1-10H
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n/an/a 300n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1B expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466160
PNG
(CHEMBL4280981)
Show SMILES c1sc(cc1-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C14H10N2S/c1-3-11(8-15-5-1)13-7-14(17-10-13)12-4-2-6-16-9-12/h1-10H
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50466168
PNG
(CHEMBL4282366)
Show SMILES O=C(Cc1ccccc1)Nc1cncc(c1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C22H17N3OS/c26-22(9-16-5-2-1-3-6-16)25-20-10-18(13-24-14-20)21-11-19(15-27-21)17-7-4-8-23-12-17/h1-8,10-15H,9H2,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 326n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1B expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50466158
PNG
(CHEMBL4290247)
Show SMILES Fc1ccc(CC(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H16FN3OS/c23-19-5-3-15(4-6-19)8-22(27)26-20-9-17(12-25-13-20)21-10-18(14-28-21)16-2-1-7-24-11-16/h1-7,9-14H,8H2,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 383n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1B expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50466166
PNG
(CHEMBL4285559)
Show SMILES Nc1ccc(cn1)-c1cc(cs1)-c1cccnc1
Show InChI InChI=1S/C14H11N3S/c15-14-4-3-11(8-17-14)13-6-12(9-18-13)10-2-1-5-16-7-10/h1-9H,(H2,15,17)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 614n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP


Eur J Med Chem 157: 1031-1050 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q
More data for this
Ligand-Target Pair