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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'rodrigues-lima' and Initial = 'f'   
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)
BDBM50445231
PNG
(CHEMBL3102950)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)
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2.30n/an/an/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445230
PNG
(CHEMBL3102951)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1O
Show InChI InChI=1S/C19H14N2O3/c22-13-3-1-11(2-4-13)17-10-21-19-16(17)7-12(9-20-19)15-6-5-14(23)8-18(15)24/h1-10,22-24H,(H,20,21)
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5.5n/an/an/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445229
PNG
(CHEMBL3102953)
Show SMILES Oc1ccc(c(O)c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C19H14N2O4/c22-12-2-3-13(17(24)7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-4-16(23)18(25)6-10/h1-9,22-25H,(H,20,21)
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7.60n/an/an/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445227
PNG
(CHEMBL3102955)
Show SMILES Oc1ccc(cc1O)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H14N2O4/c22-15-3-1-10(6-17(15)24)12-5-13-14(9-21-19(13)20-8-12)11-2-4-16(23)18(25)7-11/h1-9,22-25H,(H,20,21)
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10n/an/an/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445228
PNG
(CHEMBL3102954)
Show SMILES Oc1ccc(O)c(c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C19H14N2O4/c22-12-2-4-16(23)13(7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-3-17(24)18(25)6-10/h1-9,22-25H,(H,20,21)
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12n/an/an/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as subst...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445232
PNG
(CHEMBL3102952)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H14N2O3/c22-14-4-1-11(2-5-14)16-10-21-19-15(16)7-13(9-20-19)12-3-6-17(23)18(24)8-12/h1-10,22-24H,(H,20,21)
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n/an/a 3n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445232
PNG
(CHEMBL3102952)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H14N2O3/c22-14-4-1-11(2-5-14)16-10-21-19-15(16)7-13(9-20-19)12-3-6-17(23)18(24)8-12/h1-10,22-24H,(H,20,21)
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n/an/a 5.5n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445227
PNG
(CHEMBL3102955)
Show SMILES Oc1ccc(cc1O)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H14N2O4/c22-15-3-1-10(6-17(15)24)12-5-13-14(9-21-19(13)20-8-12)11-2-4-16(23)18(25)7-11/h1-9,22-25H,(H,20,21)
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n/an/a 12n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445230
PNG
(CHEMBL3102951)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1O
Show InChI InChI=1S/C19H14N2O3/c22-13-3-1-11(2-4-13)17-10-21-19-16(17)7-12(9-20-19)15-6-5-14(23)8-18(15)24/h1-10,22-24H,(H,20,21)
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n/an/a 12n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445229
PNG
(CHEMBL3102953)
Show SMILES Oc1ccc(c(O)c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C19H14N2O4/c22-12-2-3-13(17(24)7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-4-16(23)18(25)6-10/h1-9,22-25H,(H,20,21)
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n/an/a 14n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445231
PNG
(CHEMBL3102950)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)
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n/an/a 23n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445227
PNG
(CHEMBL3102955)
Show SMILES Oc1ccc(cc1O)-c1c[nH]c2ncc(cc12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H14N2O4/c22-15-3-1-10(6-17(15)24)12-5-13-14(9-21-19(13)20-8-12)11-2-4-16(23)18(25)7-11/h1-9,22-25H,(H,20,21)
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n/an/a 32n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
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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n/an/a 33n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of DYRK1A (unknown origin) using ATP


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445228
PNG
(CHEMBL3102954)
Show SMILES Oc1ccc(O)c(c1)-c1cnc2[nH]cc(-c3ccc(O)c(O)c3)c2c1
Show InChI InChI=1S/C19H14N2O4/c22-12-2-4-16(23)13(7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-3-17(24)18(25)6-10/h1-9,22-25H,(H,20,21)
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n/an/a 39n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445231
PNG
(CHEMBL3102950)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)
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n/an/a 43n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445230
PNG
(CHEMBL3102951)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1O
Show InChI InChI=1S/C19H14N2O3/c22-13-3-1-11(2-4-13)17-10-21-19-16(17)7-12(9-20-19)15-6-5-14(23)8-18(15)24/h1-10,22-24H,(H,20,21)
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n/an/a 48n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445233
PNG
(CHEMBL3102956)
Show SMILES Oc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(O)c1
Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-3-12(7-15)14-9-17-18(11-21-19(17)20-10-14)13-4-2-6-16(23)8-13/h1-11,22-23H,(H,20,21)
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n/an/a 105n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445226
PNG
(CHEMBL3102957)
Show SMILES Oc1ccc(c(O)c1)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H14N2O2/c22-14-6-7-15(18(23)9-14)13-8-16-17(11-21-19(16)20-10-13)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,21)
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n/an/a 150n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445241
PNG
(CHEMBL3102942)
Show SMILES Oc1ccc(cc1O)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H14N2O2/c22-17-7-6-13(9-18(17)23)14-8-15-16(11-21-19(15)20-10-14)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,21)
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n/an/a 160n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50445253
PNG
(CHEMBL1232500)
Show SMILES CCN1C(Sc2ccc(O)cc12)=CC(C)=O |w:12.14|
Show InChI InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3
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n/an/a 240n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Competitive inhibition of DYRK1A (unknown origin) using ATP


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445239
PNG
(CHEMBL3102944)
Show SMILES COc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C22H20N2O3/c1-25-16-6-4-14(5-7-16)20-13-24-22-19(20)10-15(12-23-22)18-9-8-17(26-2)11-21(18)27-3/h4-13H,1-3H3,(H,23,24)
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n/an/a 280n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445248
PNG
(CHEMBL3102935)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H14N2O/c22-16-8-6-13(7-9-16)15-10-17-18(12-21-19(17)20-11-15)14-4-2-1-3-5-14/h1-12,22H,(H,20,21)
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n/an/a 330n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
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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n/an/a 330n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused DYRK1A expressed in Escherichia coli using KISGRLSPIMTEQ as substrate


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445250
PNG
(CHEMBL3102859)
Show SMILES c1[nH]c2ncc(cc2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H14N2/c1-3-7-14(8-4-1)16-11-17-18(13-21-19(17)20-12-16)15-9-5-2-6-10-15/h1-13H,(H,20,21)
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n/an/a 410n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445238
PNG
(CHEMBL3102945)
Show SMILES COc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H20N2O3/c1-25-17-7-4-14(5-8-17)19-13-24-22-18(19)10-16(12-23-22)15-6-9-20(26-2)21(11-15)27-3/h4-13H,1-3H3,(H,23,24)
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n/an/a 460n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM80396
PNG
((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Show SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3
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n/an/a 930n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445249
PNG
(CHEMBL3102934)
Show SMILES COc1ccc(cc1)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H16N2O/c1-23-17-9-7-14(8-10-17)16-11-18-19(13-22-20(18)21-12-16)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)
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n/an/a 960n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445245
PNG
(CHEMBL3102938)
Show SMILES COc1ccccc1-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H16N2O/c1-23-19-10-6-5-9-16(19)15-11-17-18(13-22-20(17)21-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22)
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n/an/a 960n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445243
PNG
(CHEMBL3102940)
Show SMILES COc1ccc(c(OC)c1)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C21H18N2O2/c1-24-16-8-9-17(20(11-16)25-2)15-10-18-19(13-23-21(18)22-12-15)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)
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n/an/a 1.17E+3n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445236
PNG
(CHEMBL3102947)
Show SMILES COc1ccc(OC)c(c1)-c1cnc2[nH]cc(-c3ccc(OC)c(OC)c3)c2c1
Show InChI InChI=1S/C23H22N2O4/c1-26-16-6-8-20(27-2)17(11-16)15-9-18-19(13-25-23(18)24-12-15)14-5-7-21(28-3)22(10-14)29-4/h5-13H,1-4H3,(H,24,25)
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n/an/a 1.67E+3n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445240
PNG
(CHEMBL3102943)
Show SMILES COc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H18N2O2/c1-24-17-7-3-14(4-8-17)16-11-19-20(13-23-21(19)22-12-16)15-5-9-18(25-2)10-6-15/h3-13H,1-2H3,(H,22,23)
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n/an/a 1.74E+3n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445246
PNG
(CHEMBL3102937)
Show SMILES Oc1cccc(c1)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H14N2O/c22-16-8-4-7-14(9-16)15-10-17-18(12-21-19(17)20-11-15)13-5-2-1-3-6-13/h1-12,22H,(H,20,21)
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n/an/a 2.70E+3n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445237
PNG
(CHEMBL3102946)
Show SMILES COc1ccc(c(OC)c1)-c1cnc2[nH]cc(-c3ccc(OC)c(OC)c3)c2c1
Show InChI InChI=1S/C23H22N2O4/c1-26-16-6-7-17(21(11-16)28-3)15-9-18-19(13-25-23(18)24-12-15)14-5-8-20(27-2)22(10-14)29-4/h5-13H,1-4H3,(H,24,25)
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n/an/a 2.88E+3n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445242
PNG
(CHEMBL3102941)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)16-10-17-18(13-23-21(17)22-12-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)
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n/an/a 3.08E+3n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
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 |r|
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 3.10E+3n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused DYRK1A expressed in Escherichia coli using KISGRLSPIMTEQ as substrate


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445244
PNG
(CHEMBL3102939)
Show SMILES Oc1ccccc1-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H14N2O/c22-18-9-5-4-8-15(18)14-10-16-17(12-21-19(16)20-11-14)13-6-2-1-3-7-13/h1-12,22H,(H,20,21)
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n/an/a 3.59E+3n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445247
PNG
(CHEMBL3102936)
Show SMILES COc1cccc(c1)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H16N2O/c1-23-17-9-5-8-15(10-17)16-11-18-19(13-22-20(18)21-12-16)14-6-3-2-4-7-14/h2-13H,1H3,(H,21,22)
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n/an/a 7.49E+3n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445234
PNG
(CHEMBL3102949)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(OC)c1
Show InChI InChI=1S/C21H18N2O2/c1-24-17-7-3-5-14(9-17)16-11-19-20(13-23-21(19)22-12-16)15-6-4-8-18(10-15)25-2/h3-13H,1-2H3,(H,22,23)
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n/an/a 1.46E+4n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50445252
PNG
(CHEMBL3102932)
Show SMILES COc1ccc(cc1)-c1cc2c(c[nH]c2cn1)-c1ccccc1
Show InChI InChI=1S/C20H16N2O/c1-23-16-9-7-15(8-10-16)19-11-17-18(12-21-20(17)13-22-19)14-5-3-2-4-6-14/h2-13,21H,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) by HPLC analysis


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50445251
PNG
(CHEMBL3102933)
Show SMILES Oc1ccc(cc1)-c1cc2c(c[nH]c2cn1)-c1ccccc1
Show InChI InChI=1S/C19H14N2O/c22-15-8-6-14(7-9-15)18-10-16-17(11-20-19(16)12-21-18)13-4-2-1-3-5-13/h1-12,20,22H
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n/an/a 2.74E+4n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) by HPLC analysis


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50445235
PNG
(CHEMBL3102948)
Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H22N2O4/c1-26-19-7-5-14(10-21(19)28-3)16-9-17-18(13-25-23(17)24-12-16)15-6-8-20(27-2)22(11-15)29-4/h5-13H,1-4H3,(H,24,25)
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n/an/a 5.78E+4n/an/an/an/an/an/a



UPR 2301, CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...


J Med Chem 56: 9569-85 (2014)


Article DOI: 10.1021/jm401049v
BindingDB Entry DOI: 10.7270/Q2BG2QFT
More data for this
Ligand-Target Pair