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PubMed code 22770529

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))
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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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of human DYRK1A kinase expressed in Escherichia coli cells


J Med Chem 55: 6489-501 (2012)


Article DOI: 10.1021/jm300542e
BindingDB Entry DOI: 10.7270/Q2GM88FB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50395379
PNG
(CHEMBL2164712 | US9168247, CV12)
Show SMILES Cc1nccc2c3ccc(OCC4CCCCC4)cc3n(CC3CCCCC3)c12
Show InChI InChI=1S/C26H34N2O/c1-19-26-24(14-15-27-19)23-13-12-22(29-18-21-10-6-3-7-11-21)16-25(23)28(26)17-20-8-4-2-5-9-20/h12-16,20-21H,2-11,17-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay


J Med Chem 55: 6489-501 (2012)


Article DOI: 10.1021/jm300542e
BindingDB Entry DOI: 10.7270/Q2GM88FB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50333423
PNG
(7-(Pyridin-3-ylmethoxy)-1-methyl-beta-carboline | ...)
Show SMILES Cc1nccc2c3ccc(OCc4cccnc4)cc3[nH]c12
Show InChI InChI=1S/C18H15N3O/c1-12-18-16(6-8-20-12)15-5-4-14(9-17(15)21-18)22-11-13-3-2-7-19-10-13/h2-10,21H,11H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay


J Med Chem 55: 6489-501 (2012)


Article DOI: 10.1021/jm300542e
BindingDB Entry DOI: 10.7270/Q2GM88FB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50333416
PNG
(7-(2-Methoxyethoxy)-1-methyl-beta-carboline | CHEM...)
Show SMILES COCCOc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C15H16N2O2/c1-10-15-13(5-6-16-10)12-4-3-11(9-14(12)17-15)19-8-7-18-2/h3-6,9,17H,7-8H2,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay


J Med Chem 55: 6489-501 (2012)


Article DOI: 10.1021/jm300542e
BindingDB Entry DOI: 10.7270/Q2GM88FB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50395380
PNG
(CHEMBL2164709 | US9168247, JR84)
Show SMILES Cc1nccc2c3ccc(OCc4ccccc4)cc3n(Cc3ccccc3)c12
Show InChI InChI=1S/C26H22N2O/c1-19-26-24(14-15-27-19)23-13-12-22(29-18-21-10-6-3-7-11-21)16-25(23)28(26)17-20-8-4-2-5-9-20/h2-16H,17-18H2,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay


J Med Chem 55: 6489-501 (2012)


Article DOI: 10.1021/jm300542e
BindingDB Entry DOI: 10.7270/Q2GM88FB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50395381
PNG
(CHEMBL2164716 | US9168247, JR95)
Show SMILES Cc1[n+](Cc2ccccc2)ccc2c1n(Cc1ccccc1)c1cc(OCc3ccccc3)ccc21
Show InChI InChI=1S/C33H29N2O/c1-25-33-31(19-20-34(25)22-26-11-5-2-6-12-26)30-18-17-29(36-24-28-15-9-4-10-16-28)21-32(30)35(33)23-27-13-7-3-8-14-27/h2-21H,22-24H2,1H3/q+1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay


J Med Chem 55: 6489-501 (2012)


Article DOI: 10.1021/jm300542e
BindingDB Entry DOI: 10.7270/Q2GM88FB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50395378
PNG
(CHEMBL2164696 | US9168247, CV24)
Show SMILES Cc1[n+](Cc2ccccc2)ccc2c1n(CC1CCCCC1)c1cc(OCC3CCCCC3)ccc21
Show InChI InChI=1S/C33H41N2O/c1-25-33-31(19-20-34(25)22-26-11-5-2-6-12-26)30-18-17-29(36-24-28-15-9-4-10-16-28)21-32(30)35(33)23-27-13-7-3-8-14-27/h2,5-6,11-12,17-21,27-28H,3-4,7-10,13-16,22-24H2,1H3/q+1
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay


J Med Chem 55: 6489-501 (2012)


Article DOI: 10.1021/jm300542e
BindingDB Entry DOI: 10.7270/Q2GM88FB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%