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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'lohier' and Initial = 'jf'   
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
p110α/p85α


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 8n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
p110α/p85α


(Homo sapiens (Human))
BDBM50391185
PNG
(CHEMBL2088663)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(Br)cc3c12
Show InChI InChI=1S/C19H13BrN4O/c1-11-17-15-8-14(20)5-6-16(15)24(18(17)19(25)23-22-11)10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H,23,25)
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n/an/a 91n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 150n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


(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 200n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50391185
PNG
(CHEMBL2088663)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(Br)cc3c12
Show InChI InChI=1S/C19H13BrN4O/c1-11-17-15-8-14(20)5-6-16(15)24(18(17)19(25)23-22-11)10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391186
PNG
(CHEMBL2088664)
Show SMILES COc1ccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)cc1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)5-8-16(15)23(18(17)19(24)22-21-11)10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391187
PNG
(CHEMBL2088665)
Show SMILES COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391195
PNG
(CHEMBL2088673)
Show SMILES COc1ccc2n(Cc3cccc(c3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C19H16N4O4/c1-11-17-15-9-14(27-2)6-7-16(15)22(18(17)19(24)21-20-11)10-12-4-3-5-13(8-12)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391184
PNG
(CHEMBL2088662)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)C#N)c3ccc(Br)cc3c12
Show InChI InChI=1S/C19H13BrN4O/c1-11-17-15-8-14(20)6-7-16(15)24(18(17)19(25)23-22-11)10-13-4-2-12(9-21)3-5-13/h2-8H,10H2,1H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50391187
PNG
(CHEMBL2088665)
Show SMILES COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391194
PNG
(CHEMBL2088672)
Show SMILES COc1ccc2n(Cc3ccc(cc3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C19H16N4O4/c1-11-17-15-9-14(27-2)7-8-16(15)22(18(17)19(24)21-20-11)10-12-3-5-13(6-4-12)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391196
PNG
(CHEMBL2088674)
Show SMILES COc1ccc2n(Cc3ccc(cc3)C#N)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C20H16N4O2/c1-12-18-16-9-15(26-2)7-8-17(16)24(19(18)20(25)23-22-12)11-14-5-3-13(10-21)4-6-14/h3-9H,11H2,1-2H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391197
PNG
(CHEMBL2088675)
Show SMILES COc1ccc2n(Cc3cccc(c3)C#N)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C20H16N4O2/c1-12-18-16-9-15(26-2)6-7-17(16)24(19(18)20(25)23-22-12)11-14-5-3-4-13(8-14)10-21/h3-9H,11H2,1-2H3,(H,23,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50391200
PNG
(CHEMBL2088661)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)[N+]([O-])=O)c3ccc(Br)cc3c12
Show InChI InChI=1S/C18H13BrN4O3/c1-10-16-14-8-12(19)5-6-15(14)22(17(16)18(24)21-20-10)9-11-3-2-4-13(7-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391192
PNG
(CHEMBL2088670)
Show SMILES COc1ccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c23)cc1
Show InChI InChI=1S/C19H16FN3O2/c1-11-17-15-9-13(20)5-8-16(15)23(18(17)19(24)22-21-11)10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391191
PNG
(CHEMBL2088669)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(F)cc3c12
Show InChI InChI=1S/C19H13FN4O/c1-11-17-15-8-14(20)5-6-16(15)24(18(17)19(25)23-22-11)10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391182
PNG
(CHEMBL2088659)
Show SMILES COc1ccc2[nH]c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C12H11N3O2/c1-6-10-8-5-7(17-2)3-4-9(8)13-11(10)12(16)15-14-6/h3-5,13H,1-2H3,(H,15,16)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391200
PNG
(CHEMBL2088661)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)[N+]([O-])=O)c3ccc(Br)cc3c12
Show InChI InChI=1S/C18H13BrN4O3/c1-10-16-14-8-12(19)5-6-15(14)22(17(16)18(24)21-20-10)9-11-3-2-4-13(7-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50391186
PNG
(CHEMBL2088664)
Show SMILES COc1ccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)cc1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)5-8-16(15)23(18(17)19(24)22-21-11)10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391181
PNG
(CHEMBL2088658)
Show SMILES Cc1n[nH]c(=O)c2[nH]c3ccc(F)cc3c12
Show InChI InChI=1S/C11H8FN3O/c1-5-9-7-4-6(12)2-3-8(7)13-10(9)11(16)15-14-5/h2-4,13H,1H3,(H,15,16)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391183
PNG
(CHEMBL2088660)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)[N+]([O-])=O)c3ccc(Br)cc3c12
Show InChI InChI=1S/C18H13BrN4O3/c1-10-16-14-8-12(19)4-7-15(14)22(17(16)18(24)21-20-10)9-11-2-5-13(6-3-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391199
PNG
(CHEMBL2088677)
Show SMILES COc1cccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C20H19N3O3/c1-12-18-16-10-15(26-3)7-8-17(16)23(19(18)20(24)22-21-12)11-13-5-4-6-14(9-13)25-2/h4-10H,11H2,1-3H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391186
PNG
(CHEMBL2088664)
Show SMILES COc1ccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)cc1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)5-8-16(15)23(18(17)19(24)22-21-11)10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391187
PNG
(CHEMBL2088665)
Show SMILES COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391188
PNG
(CHEMBL2088666)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)[N+]([O-])=O)c3ccc(F)cc3c12
Show InChI InChI=1S/C18H13FN4O3/c1-10-16-14-8-12(19)4-7-15(14)22(17(16)18(24)21-20-10)9-11-2-5-13(6-3-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391189
PNG
(CHEMBL2088667)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)[N+]([O-])=O)c3ccc(F)cc3c12
Show InChI InChI=1S/C18H13FN4O3/c1-10-16-14-8-12(19)5-6-15(14)22(17(16)18(24)21-20-10)9-11-3-2-4-13(7-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391190
PNG
(CHEMBL2088668)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)C#N)c3ccc(F)cc3c12
Show InChI InChI=1S/C19H13FN4O/c1-11-17-15-8-14(20)6-7-16(15)24(18(17)19(25)23-22-11)10-13-4-2-12(9-21)3-5-13/h2-8H,10H2,1H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391191
PNG
(CHEMBL2088669)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(F)cc3c12
Show InChI InChI=1S/C19H13FN4O/c1-11-17-15-8-14(20)5-6-16(15)24(18(17)19(25)23-22-11)10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391192
PNG
(CHEMBL2088670)
Show SMILES COc1ccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c23)cc1
Show InChI InChI=1S/C19H16FN3O2/c1-11-17-15-9-13(20)5-8-16(15)23(18(17)19(24)22-21-11)10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391193
PNG
(CHEMBL2088671)
Show SMILES COc1cccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16FN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391194
PNG
(CHEMBL2088672)
Show SMILES COc1ccc2n(Cc3ccc(cc3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C19H16N4O4/c1-11-17-15-9-14(27-2)7-8-16(15)22(18(17)19(24)21-20-11)10-12-3-5-13(6-4-12)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391195
PNG
(CHEMBL2088673)
Show SMILES COc1ccc2n(Cc3cccc(c3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C19H16N4O4/c1-11-17-15-9-14(27-2)6-7-16(15)22(18(17)19(24)21-20-11)10-12-4-3-5-13(8-12)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391196
PNG
(CHEMBL2088674)
Show SMILES COc1ccc2n(Cc3ccc(cc3)C#N)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C20H16N4O2/c1-12-18-16-9-15(26-2)7-8-17(16)24(19(18)20(25)23-22-12)11-14-5-3-13(10-21)4-6-14/h3-9H,11H2,1-2H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391197
PNG
(CHEMBL2088675)
Show SMILES COc1ccc2n(Cc3cccc(c3)C#N)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C20H16N4O2/c1-12-18-16-9-15(26-2)6-7-17(16)24(19(18)20(25)23-22-12)11-14-5-3-4-13(8-14)10-21/h3-9H,11H2,1-2H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391198
PNG
(CHEMBL2088676)
Show SMILES COc1ccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)cc1
Show InChI InChI=1S/C20H19N3O3/c1-12-18-16-10-15(26-3)8-9-17(16)23(19(18)20(24)22-21-12)11-13-4-6-14(25-2)7-5-13/h4-10H,11H2,1-3H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391199
PNG
(CHEMBL2088677)
Show SMILES COc1cccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C20H19N3O3/c1-12-18-16-10-15(26-3)7-8-17(16)23(19(18)20(24)22-21-12)11-13-5-4-6-14(9-13)25-2/h4-10H,11H2,1-3H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391181
PNG
(CHEMBL2088658)
Show SMILES Cc1n[nH]c(=O)c2[nH]c3ccc(F)cc3c12
Show InChI InChI=1S/C11H8FN3O/c1-5-9-7-4-6(12)2-3-8(7)13-10(9)11(16)15-14-5/h2-4,13H,1H3,(H,15,16)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391183
PNG
(CHEMBL2088660)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)[N+]([O-])=O)c3ccc(Br)cc3c12
Show InChI InChI=1S/C18H13BrN4O3/c1-10-16-14-8-12(19)4-7-15(14)22(17(16)18(24)21-20-10)9-11-2-5-13(6-3-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391200
PNG
(CHEMBL2088661)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)[N+]([O-])=O)c3ccc(Br)cc3c12
Show InChI InChI=1S/C18H13BrN4O3/c1-10-16-14-8-12(19)5-6-15(14)22(17(16)18(24)21-20-10)9-11-3-2-4-13(7-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391184
PNG
(CHEMBL2088662)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)C#N)c3ccc(Br)cc3c12
Show InChI InChI=1S/C19H13BrN4O/c1-11-17-15-8-14(20)6-7-16(15)24(18(17)19(25)23-22-11)10-13-4-2-12(9-21)3-5-13/h2-8H,10H2,1H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391185
PNG
(CHEMBL2088663)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(Br)cc3c12
Show InChI InChI=1S/C19H13BrN4O/c1-11-17-15-8-14(20)5-6-16(15)24(18(17)19(25)23-22-11)10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391186
PNG
(CHEMBL2088664)
Show SMILES COc1ccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)cc1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)5-8-16(15)23(18(17)19(24)22-21-11)10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391187
PNG
(CHEMBL2088665)
Show SMILES COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391188
PNG
(CHEMBL2088666)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)[N+]([O-])=O)c3ccc(F)cc3c12
Show InChI InChI=1S/C18H13FN4O3/c1-10-16-14-8-12(19)4-7-15(14)22(17(16)18(24)21-20-10)9-11-2-5-13(6-3-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391189
PNG
(CHEMBL2088667)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)[N+]([O-])=O)c3ccc(F)cc3c12
Show InChI InChI=1S/C18H13FN4O3/c1-10-16-14-8-12(19)5-6-15(14)22(17(16)18(24)21-20-10)9-11-3-2-4-13(7-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391190
PNG
(CHEMBL2088668)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)C#N)c3ccc(F)cc3c12
Show InChI InChI=1S/C19H13FN4O/c1-11-17-15-8-14(20)6-7-16(15)24(18(17)19(25)23-22-11)10-13-4-2-12(9-21)3-5-13/h2-8H,10H2,1H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391191
PNG
(CHEMBL2088669)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(F)cc3c12
Show InChI InChI=1S/C19H13FN4O/c1-11-17-15-8-14(20)5-6-16(15)24(18(17)19(25)23-22-11)10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391192
PNG
(CHEMBL2088670)
Show SMILES COc1ccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c23)cc1
Show InChI InChI=1S/C19H16FN3O2/c1-11-17-15-9-13(20)5-8-16(15)23(18(17)19(24)22-21-11)10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391193
PNG
(CHEMBL2088671)
Show SMILES COc1cccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16FN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391194
PNG
(CHEMBL2088672)
Show SMILES COc1ccc2n(Cc3ccc(cc3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C19H16N4O4/c1-11-17-15-9-14(27-2)7-8-16(15)22(18(17)19(24)21-20-11)10-12-3-5-13(6-4-12)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
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