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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50014006   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli using RRRFRPASPLRGPPK as substrate by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50130725
PNG
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6|
Show InChI InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)
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n/an/a 54n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571752
PNG
(CHEMBL4849247)
Show SMILES COC(=O)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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n/an/a 71n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571739
PNG
(CHEMBL4846517)
Show SMILES COc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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n/an/a 144n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571750
PNG
(CHEMBL4872945)
Show SMILES NC(=O)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571743
PNG
(CHEMBL4873680)
Show SMILES O=Cc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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n/an/a 400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571731
PNG
(CHEMBL4871399)
Show SMILES Fc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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n/an/a 4.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571733
PNG
(CHEMBL4854952)
Show SMILES Clc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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n/an/a 5.15E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571746
PNG
(CHEMBL4845857)
Show SMILES O=C(Nc1nccc2c1[nH]c1cc(ccc21)-c1ccccc1)C1CC1
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n/an/a 6.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571735
PNG
(CHEMBL4878234)
Show SMILES FC(F)(F)Oc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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n/an/a 7.62E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571738
PNG
(CHEMBL4869592)
Show SMILES COc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21
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n/an/a 8.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571749
PNG
(CHEMBL4860218)
Show SMILES NC(=O)c1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571751
PNG
(CHEMBL4873051)
Show SMILES COC(=O)c1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571748
PNG
(CHEMBL4861480)
Show SMILES O=C(Nc1nccc2c1[nH]c1cc(ccc21)-c1cccnc1)C1CC1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571747
PNG
(CHEMBL4861340)
Show SMILES COc1ccc(cc1)-c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571745
PNG
(CHEMBL4866620)
Show SMILES O=C(Nc1cc2c(cn1)[nH]c1cc(ccc21)-c1cccnc1)C1CC1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571744
PNG
(CHEMBL4875404)
Show SMILES COc1ccc(cc1)-c1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571742
PNG
(CHEMBL4868963)
Show SMILES O=Cc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571740
PNG
(CHEMBL4863925)
Show SMILES O=C(Nc1cc2c(cn1)[nH]c1cc(ccc21)C#N)C1CC1
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TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571737
PNG
(CHEMBL4870826)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571736
PNG
(CHEMBL4848873)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571734
PNG
(CHEMBL4878139)
Show SMILES FC(F)(F)Oc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571732
PNG
(CHEMBL4854983)
Show SMILES Clc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571730
PNG
(CHEMBL4875836)
Show SMILES Fc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21
PDB
MMDB

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


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571729
PNG
(CHEMBL4859020)
Show SMILES COc1ccc2c(c1)[nH]c1cnc(C)cc21
PDB
MMDB

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


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50571741
PNG
(CHEMBL4856645)
Show SMILES O=C(Nc1nccc2c3ccc(cc3[nH]c12)C#N)C1CC1
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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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Similars

Article
PubMed
n/an/a 3.21E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50571728
PNG
(CHEMBL4855547)
Show SMILES COC(=O)CCOc1ccc2c(c1)[nH]c1c(C)nccc21
PDB
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n/an/a 8.97E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus infected cells incubated for 60 mins by TR-FRET based LanthaSc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113554
BindingDB Entry DOI: 10.7270/Q2W95F02
More data for this
Ligand-Target Pair