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Compile Data Set for Download or QSAR

Found 272 hits with Last Name = 'navratilova' and Initial = 'i'   
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
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50150074
PNG
(2-Amino-4-(4-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N
Show InChI InChI=1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM82022
PNG
(2-(Phenylamino)ado (CV-1808) | 2-[6-Amino-2-(3-cyc...)
Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1
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76n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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150n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (Human))
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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290n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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395n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50442179
PNG
(CHEMBL2441619)
Show SMILES Cc1ccc2nc(cc(N3CCNCC3)c2c1)C(F)(F)F
Show InChI InChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3
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399n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


ACS Med Chem Lett 4: 1005-1010 (2013)


Article DOI: 10.1021/ml400312j
BindingDB Entry DOI: 10.7270/Q2RR20PR
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50293154
PNG
(3-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)
Show SMILES N#Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H11N7/c18-10-12-3-1-4-13(9-12)22-17-19-8-6-15(23-17)14-11-21-24-16(14)5-2-7-20-24/h1-9,11H,(H,19,22,23)
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n/an/a 5n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM8392
PNG
(CHEMBL408564 | N-[5-bromo-6-(furan-2-yl)-1H-pyrazo...)
Show SMILES Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1
Show InChI InChI=1S/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
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n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50543392
PNG
(CHEMBL4646866)
Show SMILES Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H14N6/c1-12-4-2-5-13(10-12)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)
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n/an/a 7n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM8128
PNG
(N-(3-methoxyphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-...)
Show SMILES COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)
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n/an/a 12n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM8126
PNG
(N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...)
Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)
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n/an/a 38n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567093
PNG
(CHEMBL4861396)
Show SMILES CN(C)c1ncc(F)c(n1)-c1cnn2ncccc12
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n/an/a 58n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM8217
PNG
(N-(2-methylphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-y...)
Show SMILES Cc1ccccc1Nc1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C17H14N6/c1-12-5-2-3-6-14(12)21-17-18-10-8-15(22-17)13-11-20-23-16(13)7-4-9-19-23/h2-11H,1H3,(H,18,21,22)
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n/an/a 64n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567067
PNG
(CHEMBL4852944)
Show SMILES F[C@@H]1CCN(C1)c1nccc(n1)-c1cnn2ncccc12 |r|
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n/an/a 66n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567070
PNG
(CHEMBL4876980)
Show SMILES N[C@@H]1CCN(C1)c1nccc(n1)-c1cnn2ncccc12 |r|
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n/an/a 72n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 76n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50543394
PNG
(CHEMBL4637319)
Show SMILES CN(c1cccc(C)c1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C18H16N6/c1-13-5-3-6-14(11-13)23(2)18-19-10-8-16(22-18)15-12-21-24-17(15)7-4-9-20-24/h3-12H,1-2H3
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n/an/a 76n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50543394
PNG
(CHEMBL4637319)
Show SMILES CN(c1cccc(C)c1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C18H16N6/c1-13-5-3-6-14(11-13)23(2)18-19-10-8-16(22-18)15-12-21-24-17(15)7-4-9-20-24/h3-12H,1-2H3
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n/an/a 79n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567058
PNG
(CHEMBL4845809)
Show SMILES C1CC2(COC2)N1c1nccc(n1)-c1cnn2ncccc12
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n/an/a 79n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM8246
PNG
(3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophe...)
Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl |t:6|
Show InChI InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)
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n/an/a 94n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50543395
PNG
(CHEMBL4636572)
Show SMILES COc1cccc(c1)N(C)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C18H16N6O/c1-23(13-5-3-6-14(11-13)25-2)18-19-10-8-16(22-18)15-12-21-24-17(15)7-4-9-20-24/h3-12H,1-2H3
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n/an/a 97n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567054
PNG
(CHEMBL4852650)
Show SMILES CN(CCCC(F)(F)F)c1nccc(n1)-c1cnn2ncccc12
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TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50595384
PNG
(CHEMBL63803)
Show SMILES COc1cc(\C=N\Nc2ncnc3n(ncc23)-c2ccccc2)ccc1O
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM8129
PNG
(4-[(4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-y...)
Show SMILES N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C17H11N7/c18-10-12-3-5-13(6-4-12)22-17-19-9-7-15(23-17)14-11-21-24-16(14)2-1-8-20-24/h1-9,11H,(H,19,22,23)
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n/an/a 103n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567060
PNG
(CHEMBL4859912)
Show SMILES CC1CCCN1c1nccc(n1)-c1cnn2ncccc12
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TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567064
PNG
(CHEMBL4853444)
Show SMILES C[C@H]1CCN(C1)c1nccc(n1)-c1cnn2ncccc12 |r|
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TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567077
PNG
(CHEMBL4851717)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncc(C)cc12
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TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567048
PNG
(CHEMBL4848696)
Show SMILES CN(C1CC1)c1nccc(n1)-c1cnn2ncccc12
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n/an/a 115n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567087
PNG
(CHEMBL4852953)
Show SMILES CN(C)c1nccc(n1)-c1c[nH]c2ncccc12
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n/an/a 135n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567069
PNG
(CHEMBL4877372)
Show SMILES N[C@H]1CCN(C1)c1nccc(n1)-c1cnn2ncccc12 |r|
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TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50543393
PNG
(CHEMBL4643515)
Show SMILES COc1ccccc1Nc1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C17H14N6O/c1-24-16-7-3-2-5-14(16)22-17-18-10-8-13(21-17)12-11-20-23-15(12)6-4-9-19-23/h2-11H,1H3,(H,18,21,22)
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n/an/a 137n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567080
PNG
(CHEMBL4874923)
Show SMILES COc1ccnn2ncc(-c3ccnc(n3)N(C)C)c12
PDB
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TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567065
PNG
(CHEMBL4870121)
Show SMILES C[C@@H]1CCN(C1)c1nccc(n1)-c1cnn2ncccc12 |r|
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n/an/a 148n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567081
PNG
(CHEMBL4872408)
Show SMILES CN(C)c1nccc(n1)-c1cnc2ncccn12
PDB
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n/an/a 158n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50520329
PNG
(CHEMBL4550896)
Show SMILES O=C(Nc1ccc2ccccc2n1)c1ccco1
Show InChI InChI=1S/C14H10N2O2/c17-14(12-6-3-9-18-12)16-13-8-7-10-4-1-2-5-11(10)15-13/h1-9H,(H,15,16,17)
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00099
BindingDB Entry DOI: 10.7270/Q23200WW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567105
PNG
(CHEMBL4849576)
Show SMILES CN(C)c1ncnc(n1)-c1cnn2ncccc12
PDB
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TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567046
PNG
(CHEMBL4581461)
Show SMILES CNc1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/a 182n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM8127
PNG
(N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylp...)
Show SMILES CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3
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n/an/a 186n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567066
PNG
(CHEMBL4869255)
Show SMILES F[C@H]1CCN(C1)c1nccc(n1)-c1cnn2ncccc12 |r|
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n/an/a 186n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM8127
PNG
(N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylp...)
Show SMILES CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3
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n/an/a 186n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567061
PNG
(CHEMBL4867264)
Show SMILES CC1(C)CCCN1c1nccc(n1)-c1cnn2ncccc12
PDB
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TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
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 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DYRK1A-mediated tau phosphorylation expressed in HEK293 cells incubated for 2 hrs by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567062
PNG
(CHEMBL4855864)
Show SMILES CC1CCN(C1)c1nccc(n1)-c1cnn2ncccc12
PDB
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TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567052
PNG
(CHEMBL4870189)
Show SMILES COCCCN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/a 220n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length GST-tagged human DYRK1A phosphorylation expressed in baculovirus expression system in presence of [gamma-33P]ATP by radiome...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567053
PNG
(CHEMBL4858763)
Show SMILES CN(CCC(F)(F)F)c1nccc(n1)-c1cnn2ncccc12
PDB
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n/an/a 229n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567068
PNG
(CHEMBL4851209)
Show SMILES CN(C)C1CCN(C1)c1nccc(n1)-c1cnn2ncccc12
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 245n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567093
PNG
(CHEMBL4861396)
Show SMILES CN(C)c1ncc(F)c(n1)-c1cnn2ncccc12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DYRK1A-mediated tau phosphorylation expressed in HEK293 cells incubated for 2 hrs by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567074
PNG
(CHEMBL4854898)
Show SMILES C1CC2(CCN(C2)c2nccc(n2)-c2cnn3ncccc23)CO1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 269n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
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