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PubMed code 16698266

Compile data set for download or QSAR
Found 12 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


(Mus musculus)
BDBM50187069
PNG
(1-(3,4-dichlorophenyl)-4-(4-hydroxy-3-methoxybenzy...)
Show SMILES COc1cc(C=C2C(=O)NN(C2=O)c2ccc(Cl)c(Cl)c2)ccc1O
Show InChI InChI=1S/C17H12Cl2N2O4/c1-25-15-7-9(2-5-14(15)22)6-11-16(23)20-21(17(11)24)10-3-4-12(18)13(19)8-10/h2-8,22H,1H3,(H,20,23)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50187059
PNG
(1-(3-methoxyphenyl)-3-(5-(pyridin-4-yl)-1,3,4-thia...)
Show SMILES COc1cccc(NC(=O)Nc2nnc(s2)-c2ccncc2)c1
Show InChI InChI=1S/C15H13N5O2S/c1-22-12-4-2-3-11(9-12)17-14(21)18-15-20-19-13(23-15)10-5-7-16-8-6-10/h2-9H,1H3,(H2,17,18,20,21)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50187063
PNG
(CHEMBL379386 | GNF-PF-2722 | N2-(4-bromophenyl)-N4...)
Show SMILES Brc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H15BrN4O/c20-13-7-9-14(10-8-13)22-19-23-17-6-2-1-5-16(17)18(24-19)21-12-15-4-3-11-25-15/h1-11H,12H2,(H2,21,22,23,24)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50187065
PNG
(CHEMBL265130 | diethyl 4-(4-acetamidophenylamino)q...)
Show SMILES CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(NC(C)=O)cc3)c2c1
Show InChI InChI=1S/C23H23N3O5/c1-4-30-22(28)15-6-11-20-18(12-15)21(19(13-24-20)23(29)31-5-2)26-17-9-7-16(8-10-17)25-14(3)27/h6-13H,4-5H2,1-3H3,(H,24,26)(H,25,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50187067
PNG
(2-(5-(2-chlorophenyl)-1H-pyrazol-3-yl)-4-methoxyph...)
Show SMILES COc1ccc(O)c(c1)-c1cc(n[nH]1)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O2/c1-21-10-6-7-16(20)12(8-10)15-9-14(18-19-15)11-4-2-3-5-13(11)17/h2-9,20H,1H3,(H,18,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50187062
PNG
(5-(5-(2-(allyloxy)-5-bromobenzylidene)-4-oxo-4,5-d...)
Show SMILES OC(=O)c1cc(NC2=NC(=O)C(S2)=Cc2cc(Br)ccc2OCC=C)ccc1Cl
Show InChI InChI=1S/C20H14BrClN2O4S/c1-2-7-28-16-6-3-12(21)8-11(16)9-17-18(25)24-20(29-17)23-13-4-5-15(22)14(10-13)19(26)27/h2-6,8-10H,1,7H2,(H,26,27)(H,23,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50187064
PNG
(4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-m-tolyl...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2cccc(C)c2)n1
Show InChI InChI=1S/C17H15N5S/c1-11-5-3-6-13(9-11)20-17-21-14(10-23-17)15-12(2)19-16-18-7-4-8-22(15)16/h3-10H,1-2H3,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50187060
PNG
((Z)-3-(2-(4-fluorophenylamino)-4-oxothiazol-5(4H)-...)
Show SMILES CN1C(=O)C(=C2SC(Nc3ccc(F)cc3)=NC2=O)c2ccccc12
Show InChI InChI=1S/C18H12FN3O2S/c1-22-13-5-3-2-4-12(13)14(17(22)24)15-16(23)21-18(25-15)20-11-8-6-10(19)7-9-11/h2-9H,1H3,(H,20,21,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50187066
PNG
(4-(4-hydroxy-3-methoxybenzylidene)-1-(3-chlorophen...)
Show SMILES COc1cc(C=C2C(=O)NN(C2=O)c2cccc(Cl)c2)ccc1O
Show InChI InChI=1S/C17H13ClN2O4/c1-24-15-8-10(5-6-14(15)21)7-13-16(22)19-20(17(13)23)12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50187061
PNG
(3-ethyl 6-methyl 4-(3-acetylphenylamino)quinoline-...)
Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C(C)=O)C(=O)OC
Show InChI InChI=1S/C22H20N2O5/c1-4-29-22(27)18-12-23-19-9-8-15(21(26)28-3)11-17(19)20(18)24-16-7-5-6-14(10-16)13(2)25/h5-12H,4H2,1-3H3,(H,23,24)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50187068
PNG
(CHEMBL209149 | diethyl 4-(3-bromo-4-methylphenylam...)
Show SMILES CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(C)c(Br)c3)c2c1
Show InChI InChI=1S/C22H21BrN2O4/c1-4-28-21(26)14-7-9-19-16(10-14)20(17(12-24-19)22(27)29-5-2)25-15-8-6-13(3)18(23)11-15/h6-12H,4-5H2,1-3H3,(H,24,25)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Research Center IDRTech Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells


Bioorg Med Chem Lett 16: 3772-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.042
BindingDB Entry DOI: 10.7270/Q2K938BX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%