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Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'pereira' and Initial = 'e'   
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
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 |t:4,11|
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Blockade of Nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 1879-87 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.004
BindingDB Entry DOI: 10.7270/Q2WW7H3V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50178616
PNG
(CHEMBL3814423)
Show SMILES c1n[nH]c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C19H12N4/c1-3-7-13-10(5-1)15-12-9-20-23-17(12)16-11-6-2-4-8-14(11)22-19(16)18(15)21-13/h1-9,21-22H,(H,20,23)
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n/an/a 22n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of human full length (His)6-tagged Pim-3 expressed in insect Sf21 cells using RSRHSSYPAGT as substrate measured for 30 mins by [gamma-33P]...


Bioorg Med Chem 24: 3116-24 (2016)


Article DOI: 10.1016/j.bmc.2016.05.032
BindingDB Entry DOI: 10.7270/Q2ZG6V50
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347798
PNG
(CHEMBL1802410)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(N)cccc12
Show InChI InChI=1S/C12H10IN5/c13-8-5-17-12(15)18-10(8)7-4-16-11-6(7)2-1-3-9(11)14/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 26n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347802
PNG
(CHEMBL1802406)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H9IN4/c13-9-6-16-12(14)17-11(9)8-5-15-10-4-2-1-3-7(8)10/h1-6,15H,(H2,14,16,17)
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n/an/a 30n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347793
PNG
(CHEMBL1802966)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-7-8(4-16-10(7)3-6)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 32n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347793
PNG
(CHEMBL1802966)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-7-8(4-16-10(7)3-6)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 34n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347792
PNG
(CHEMBL1802967)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H8BrIN4/c13-8-3-1-2-6-7(4-16-10(6)8)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 39n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347815
PNG
(CHEMBL1802405)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-8-5-16-12(14)17-10(8)7-4-15-11-6(7)2-1-3-9(11)18(19)20/h1-5,15H,(H2,14,16,17)
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n/an/a 41n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347792
PNG
(CHEMBL1802967)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H8BrIN4/c13-8-3-1-2-6-7(4-16-10(6)8)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 42n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347796
PNG
(CHEMBL1802963)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H9BrN4/c13-9-3-1-2-7-8(6-16-11(7)9)10-4-5-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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n/an/a 65n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347802
PNG
(CHEMBL1802406)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H9IN4/c13-9-6-16-12(14)17-11(9)8-5-15-10-4-2-1-3-7(8)10/h1-6,15H,(H2,14,16,17)
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n/an/a 66n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347803
PNG
(CHEMBL1802404)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-9-5-16-12(14)17-11(9)8-4-15-10-3-6(18(19)20)1-2-7(8)10/h1-5,15H,(H2,14,16,17)
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n/an/a 67n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347796
PNG
(CHEMBL1802963)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H9BrN4/c13-9-3-1-2-7-8(6-16-11(7)9)10-4-5-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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n/an/a 68n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347806
PNG
(CHEMBL1802401)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H9N5O2/c13-12-14-5-4-9(16-12)8-6-15-11-7(8)2-1-3-10(11)17(18)19/h1-6,15H,(H2,13,14,16)
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n/an/a 70n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347799
PNG
(CHEMBL1802409)
Show SMILES Nc1ccc2c(c[nH]c2c1)-c1nc(N)ncc1I
Show InChI InChI=1S/C12H10IN5/c13-9-5-17-12(15)18-11(9)8-4-16-10-3-6(14)1-2-7(8)10/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 80n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347806
PNG
(CHEMBL1802401)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H9N5O2/c13-12-14-5-4-9(16-12)8-6-15-11-7(8)2-1-3-10(11)17(18)19/h1-6,15H,(H2,13,14,16)
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n/an/a 85n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347814
PNG
(CHEMBL1802391)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-13-7-5-12(6-8-13)15-9-24-20(22)26-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347803
PNG
(CHEMBL1802404)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-9-5-16-12(14)17-11(9)8-4-15-10-3-6(18(19)20)1-2-7(8)10/h1-5,15H,(H2,14,16,17)
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n/an/a 95n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347798
PNG
(CHEMBL1802410)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(N)cccc12
Show InChI InChI=1S/C12H10IN5/c13-8-5-17-12(15)18-10(8)7-4-16-11-6(7)2-1-3-9(11)14/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 110n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347804
PNG
(CHEMBL1802403)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-9-5-16-12(14)17-11(9)8-4-15-10-2-1-6(18(19)20)3-7(8)10/h1-5,15H,(H2,14,16,17)
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n/an/a 120n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM10841
PNG
(4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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n/an/a 120n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM10841
PNG
(4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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n/an/a 130n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50178616
PNG
(CHEMBL3814423)
Show SMILES c1n[nH]c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C19H12N4/c1-3-7-13-10(5-1)15-12-9-20-23-17(12)16-11-6-2-4-8-14(11)22-19(16)18(15)21-13/h1-9,21-22H,(H,20,23)
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Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of human full length (His)6-tagged Pim-1 expressed in insect Sf21 cells using RSRHSSYPAGT as substrate measured for 30 mins by [gamma-33P]...


Bioorg Med Chem 24: 3116-24 (2016)


Article DOI: 10.1016/j.bmc.2016.05.032
BindingDB Entry DOI: 10.7270/Q2ZG6V50
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347794
PNG
(CHEMBL1802965)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-10-7(3-6)8(4-16-10)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 180n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347814
PNG
(CHEMBL1802391)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-13-7-5-12(6-8-13)15-9-24-20(22)26-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)
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n/an/a 190n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347799
PNG
(CHEMBL1802409)
Show SMILES Nc1ccc2c(c[nH]c2c1)-c1nc(N)ncc1I
Show InChI InChI=1S/C12H10IN5/c13-9-5-17-12(15)18-11(9)8-4-16-10-3-6(14)1-2-7(8)10/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 220n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM10840
PNG
(4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)
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n/an/a 220n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347804
PNG
(CHEMBL1802403)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-9-5-16-12(14)17-11(9)8-4-15-10-2-1-6(18(19)20)3-7(8)10/h1-5,15H,(H2,14,16,17)
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n/an/a 250n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347788
PNG
(CHEMBL1802971)
Show SMILES CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H15BrN4O/c1-11(26)12-5-7-13(8-6-12)15-9-24-20(22)25-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H2,22,24,25)
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n/an/a 290n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347794
PNG
(CHEMBL1802965)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-10-7(3-6)8(4-16-10)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 330n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM10840
PNG
(4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)
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n/an/a 330n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347788
PNG
(CHEMBL1802971)
Show SMILES CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H15BrN4O/c1-11(26)12-5-7-13(8-6-12)15-9-24-20(22)25-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H2,22,24,25)
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n/an/a 380n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347807
PNG
(CHEMBL1802400)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H9N5O2/c13-12-14-4-3-10(16-12)9-6-15-11-5-7(17(18)19)1-2-8(9)11/h1-6,15H,(H2,13,14,16)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347815
PNG
(CHEMBL1802405)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-8-5-16-12(14)17-10(8)7-4-15-11-6(7)2-1-3-9(11)18(19)20/h1-5,15H,(H2,14,16,17)
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n/an/a 460n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM10844
PNG
(4-(1H-indol-3-yl)pyrimidin-2-amine | Meridianin G)
Show SMILES Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H10N4/c13-12-14-6-5-11(16-12)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H2,13,14,16)
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n/an/a 530n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347785
PNG
(CHEMBL1802390)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-14-5-2-12(3-6-14)16-9-24-20(22)26-19(16)17-10-23-18-8-13(21)4-7-15(17)18/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)
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n/an/a 530n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50178616
PNG
(CHEMBL3814423)
Show SMILES c1n[nH]c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C19H12N4/c1-3-7-13-10(5-1)15-12-9-20-23-17(12)16-11-6-2-4-8-14(11)22-19(16)18(15)21-13/h1-9,21-22H,(H,20,23)
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Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged Pim-2 expressed in Escherichia coli using RSRHSSYPAGT as substrate measured for 30 mins by [gamma-33P]ATP-...


Bioorg Med Chem 24: 3116-24 (2016)


Article DOI: 10.1016/j.bmc.2016.05.032
BindingDB Entry DOI: 10.7270/Q2ZG6V50
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347800
PNG
(CHEMBL1802408)
Show SMILES Nc1ccc2[nH]cc(-c3nc(N)ncc3I)c2c1
Show InChI InChI=1S/C12H10IN5/c13-9-5-17-12(15)18-11(9)8-4-16-10-2-1-6(14)3-7(8)10/h1-5,16H,14H2,(H2,15,17,18)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50347798
PNG
(CHEMBL1802410)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(N)cccc12
Show InChI InChI=1S/C12H10IN5/c13-8-5-17-12(15)18-10(8)7-4-16-11-6(7)2-1-3-9(11)14/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 660n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50347793
PNG
(CHEMBL1802966)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-7-8(4-16-10(7)3-6)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM10844
PNG
(4-(1H-indol-3-yl)pyrimidin-2-amine | Meridianin G)
Show SMILES Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H10N4/c13-12-14-6-5-11(16-12)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H2,13,14,16)
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n/an/a 700n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347786
PNG
(CHEMBL1802389)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-14-5-2-12(3-6-14)16-9-24-20(22)26-19(16)17-10-23-18-7-4-13(21)8-15(17)18/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)
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Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347810
PNG
(CHEMBL1802396)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2cccc(Br)c12
Show InChI InChI=1S/C19H15BrN4O/c1-25-12-5-2-4-11(8-12)13-9-23-19(21)24-18(13)14-10-22-16-7-3-6-15(20)17(14)16/h2-10,22H,1H3,(H2,21,23,24)
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n/an/a 810n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347797
PNG
(CHEMBL1802962)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cccc(Br)c12
Show InChI InChI=1S/C12H9BrN4/c13-8-2-1-3-10-11(8)7(6-16-10)9-4-5-15-12(14)17-9/h1-6,16H,(H2,14,15,17)
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n/an/a 850n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347808
PNG
(CHEMBL1802399)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C19H15BrN4O/c1-25-12-5-2-4-11(8-12)14-9-23-19(21)24-17(14)15-10-22-18-13(15)6-3-7-16(18)20/h2-10,22H,1H3,(H2,21,23,24)
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n/an/a 850n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347808
PNG
(CHEMBL1802399)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C19H15BrN4O/c1-25-12-5-2-4-11(8-12)14-9-23-19(21)24-17(14)15-10-22-18-13(15)6-3-7-16(18)20/h2-10,22H,1H3,(H2,21,23,24)
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n/an/a 870n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347801
PNG
(CHEMBL1802407)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cccc(N)c12
Show InChI InChI=1S/C12H10IN5/c13-7-5-17-12(15)18-11(7)6-4-16-9-3-1-2-8(14)10(6)9/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347807
PNG
(CHEMBL1802400)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H9N5O2/c13-12-14-4-3-10(16-12)9-6-15-11-5-7(17(18)19)1-2-8(9)11/h1-6,15H,(H2,13,14,16)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM10840
PNG
(4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)
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n/an/a 1.20E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM10841
PNG
(4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
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