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PubMed code 22154664

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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))
BDBM50361151
PNG
(CHEMBL1933805)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nccc(n1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H17N3O3/c1-13-2-4-14(5-3-13)19(24)23-20-21-9-8-16(22-20)15-6-7-17-18(12-15)26-11-10-25-17/h2-9,12H,10-11H2,1H3,(H,21,22,23,24)
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n/an/a 1.51E+3n/an/an/an/an/an/a



The Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human DYRK1A using dephosphorylated MBP as substrate after 10 mins by Kinase-Glo plus luminescent kinase assay


Bioorg Med Chem Lett 22: 168-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.043
BindingDB Entry DOI: 10.7270/Q2MS3T6W
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50361149
PNG
(CHEMBL1933803)
Show SMILES COc1ccc2c(Cl)c(sc2c1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C18H16ClNO2S/c1-20(11-12-6-4-3-5-7-12)18(21)17-16(19)14-9-8-13(22-2)10-15(14)23-17/h3-10H,11H2,1-2H3
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n/an/a 6.39E+3n/an/an/an/an/an/a



The Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human DYRK1A using dephosphorylated MBP as substrate after 10 mins by Kinase-Glo plus luminescent kinase assay


Bioorg Med Chem Lett 22: 168-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.043
BindingDB Entry DOI: 10.7270/Q2MS3T6W
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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Article
PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



The Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human DYRK1A using dephosphorylated MBP as substrate after 10 mins by Kinase-Glo plus luminescent kinase assay


Bioorg Med Chem Lett 22: 168-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.043
BindingDB Entry DOI: 10.7270/Q2MS3T6W
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50361150
PNG
(CHEMBL1933804)
Show SMILES COc1ccc2c(Cl)c(sc2c1)C(=O)NNC(=O)C1CCCCC1
Show InChI InChI=1S/C17H19ClN2O3S/c1-23-11-7-8-12-13(9-11)24-15(14(12)18)17(22)20-19-16(21)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,19,21)(H,20,22)
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n/an/a 1.95E+4n/an/an/an/an/an/a



The Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human DYRK1A using dephosphorylated MBP as substrate after 10 mins by Kinase-Glo plus luminescent kinase assay


Bioorg Med Chem Lett 22: 168-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.043
BindingDB Entry DOI: 10.7270/Q2MS3T6W
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50361152
PNG
(CHEMBL1933806)
Show SMILES CC(=O)Nc1cc(n[nH]1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H10N4O3/c1-7(16)12-11-6-10(13-14-11)8-2-4-9(5-3-8)15(17)18/h2-6H,1H3,(H2,12,13,14,16)
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n/an/a 2.37E+4n/an/an/an/an/an/a



The Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human DYRK1A using dephosphorylated MBP as substrate after 10 mins by Kinase-Glo plus luminescent kinase assay


Bioorg Med Chem Lett 22: 168-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.043
BindingDB Entry DOI: 10.7270/Q2MS3T6W
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50361148
PNG
(CHEMBL1933802)
Show SMILES COc1ccc2-c3nc(NC(=O)c4ccc(OC)c(OC)c4)sc3CCc2c1
Show InChI InChI=1S/C21H20N2O4S/c1-25-14-6-7-15-12(10-14)5-9-18-19(15)22-21(28-18)23-20(24)13-4-8-16(26-2)17(11-13)27-3/h4,6-8,10-11H,5,9H2,1-3H3,(H,22,23,24)
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n/an/a 2.47E+4n/an/an/an/an/an/a



The Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human DYRK1A using dephosphorylated MBP as substrate after 10 mins by Kinase-Glo plus luminescent kinase assay


Bioorg Med Chem Lett 22: 168-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.043
BindingDB Entry DOI: 10.7270/Q2MS3T6W
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50361147
PNG
(CHEMBL1933801)
Show SMILES CC(C)(CC(=O)Nc1sc2CCCc2c1C(O)=O)NC(=O)Cc1sc2CCCc2c1C(O)=O
Show InChI InChI=1S/C23H26N2O6S2/c1-23(2,10-17(27)24-20-19(22(30)31)12-6-4-8-14(12)33-20)25-16(26)9-15-18(21(28)29)11-5-3-7-13(11)32-15/h3-10H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)(H,30,31)
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n/an/a 8.81E+4n/an/an/an/an/an/a



The Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human DYRK1A using dephosphorylated MBP as substrate after 10 mins by Kinase-Glo plus luminescent kinase assay


Bioorg Med Chem Lett 22: 168-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.043
BindingDB Entry DOI: 10.7270/Q2MS3T6W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%