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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'akue-gedu' and Initial = 'r'   
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 10n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299245
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C15H9BrN2O/c16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h1-7,17-18H
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n/an/a 40n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 120n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299247
PNG
(1-(1,10-Dihydropyrrolo[2,3-a]carbazol-3-yl)-2,2,2-...)
Show SMILES FC(F)(F)C(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C16H9F3N2O/c17-16(18,19)15(22)11-7-20-13-10(11)6-5-9-8-3-1-2-4-12(8)21-14(9)13/h1-7,20-21H
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n/an/a 170n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299250
PNG
(7-(2,4-Difluorophenyl)-1,10-dihydropyrrolo[2,3-a]c...)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C21H12F2N2O/c22-13-2-3-14(18(23)8-13)11-1-6-19-17(7-11)16-5-4-15-12(10-26)9-24-20(15)21(16)25-19/h1-10,24-25H
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n/an/a 200n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299248
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide ...)
Show SMILES NC(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H11N3O/c16-15(19)11-7-17-13-10(11)6-5-9-8-3-1-2-4-12(8)18-14(9)13/h1-7,17-18H,(H2,16,19)
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n/an/a 210n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295872
PNG
(5-Iodo-4-(1-Methyl-1H-indol-3-yl)pyrimidin-2-amine...)
Show SMILES Cn1cc(-c2nc(N)ncc2I)c2ccccc12
Show InChI InChI=1S/C13H11IN4/c1-18-7-9(8-4-2-3-5-11(8)18)12-10(14)6-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17)
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n/an/a 400n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299246
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole | CHEM...)
Show SMILES Brc1ccc2[nH]c3c(ccc4cc[nH]c34)c2c1
Show InChI InChI=1S/C14H9BrN2/c15-9-2-4-12-11(7-9)10-3-1-8-5-6-16-13(8)14(10)17-12/h1-7,16-17H
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n/an/a 440n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 510n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299245
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C15H9BrN2O/c16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h1-7,17-18H
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n/an/a 570n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295874
PNG
(4-(1H-indol-3-yl)-5-(4-(trifluoromethyl)phenyl)pyr...)
Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H13F3N4/c20-19(21,22)12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26)
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n/an/a 580n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295873
PNG
(4-[2-Amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzami...)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H15N5O/c20-18(25)12-7-5-11(6-8-12)14-9-23-19(21)24-17(14)15-10-22-16-4-2-1-3-13(15)16/h1-10,22H,(H2,20,25)(H2,21,23,24)
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n/an/a 580n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295875
PNG
(4-(1H-Indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-a...)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H16N4O/c1-24-13-6-4-5-12(9-13)15-10-22-19(20)23-18(15)16-11-21-17-8-3-2-7-14(16)17/h2-11,21H,1H3,(H2,20,22,23)
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n/an/a 600n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295876
PNG
(4-(1H-Indol-3-yl)-5-(3-aminophenyl)pyrimidin-2-ami...)
Show SMILES Nc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H15N5/c19-12-5-3-4-11(8-12)14-9-22-18(20)23-17(14)15-10-21-16-7-2-1-6-13(15)16/h1-10,21H,19H2,(H2,20,22,23)
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n/an/a 640n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299250
PNG
(7-(2,4-Difluorophenyl)-1,10-dihydropyrrolo[2,3-a]c...)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C21H12F2N2O/c22-13-2-3-14(18(23)8-13)11-1-6-19-17(7-11)16-5-4-15-12(10-26)9-24-20(15)21(16)25-19/h1-10,24-25H
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n/an/a 660n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50299248
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide ...)
Show SMILES NC(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H11N3O/c16-15(19)11-7-17-13-10(11)6-5-9-8-3-1-2-4-12(8)18-14(9)13/h1-7,17-18H,(H2,16,19)
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n/an/a 780n/an/an/an/an/an/a



Centre National de la Recherche Scientifique; Universite Blaise Pascal-Clermont-Ferrand II

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295877
PNG
(4-[2-Amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-y...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C20H16N4O2/c1-24-11-16(14-4-2-3-5-17(14)24)18-15(10-22-20(21)23-18)12-6-8-13(9-7-12)19(25)26/h2-11H,1H3,(H,25,26)(H2,21,22,23)
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n/an/a 900n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295878
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(pyridin-4-yl)pyrimid...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccncc2)c2ccccc12
Show InChI InChI=1S/C18H15N5/c1-23-11-15(13-4-2-3-5-16(13)23)17-14(10-21-18(19)22-17)12-6-8-20-9-7-12/h2-11H,1H3,(H2,19,21,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295879
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(3-aminophenyl)pyrimi...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2cccc(N)c2)c2ccccc12
Show InChI InChI=1S/C19H17N5/c1-24-11-16(14-7-2-3-8-17(14)24)18-15(10-22-19(21)23-18)12-5-4-6-13(20)9-12/h2-11H,20H2,1H3,(H2,21,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295873
PNG
(4-[2-Amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzami...)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H15N5O/c20-18(25)12-7-5-11(6-8-12)14-9-23-19(21)24-17(14)15-10-22-16-4-2-1-3-13(15)16/h1-10,22H,(H2,20,25)(H2,21,23,24)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295880
PNG
(4-[2-Amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-y...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(N)=O)c2ccccc12
Show InChI InChI=1S/C20H17N5O/c1-25-11-16(14-4-2-3-5-17(14)25)18-15(10-23-20(22)24-18)12-6-8-13(9-7-12)19(21)26/h2-11H,1H3,(H2,21,26)(H2,22,23,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295874
PNG
(4-(1H-indol-3-yl)-5-(4-(trifluoromethyl)phenyl)pyr...)
Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H13F3N4/c20-19(21,22)12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295878
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(pyridin-4-yl)pyrimid...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccncc2)c2ccccc12
Show InChI InChI=1S/C18H15N5/c1-23-11-15(13-4-2-3-5-16(13)23)17-14(10-21-18(19)22-17)12-6-8-20-9-7-12/h2-11H,1H3,(H2,19,21,22)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295872
PNG
(5-Iodo-4-(1-Methyl-1H-indol-3-yl)pyrimidin-2-amine...)
Show SMILES Cn1cc(-c2nc(N)ncc2I)c2ccccc12
Show InChI InChI=1S/C13H11IN4/c1-18-7-9(8-4-2-3-5-11(8)18)12-10(14)6-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295881
PNG
(4-(1H-indol-3-yl)-5-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES Nc1ncc(-c2ccc(OC(F)(F)F)cc2)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295882
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(3-methoxyphenyl)pyri...)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1cn(C)c2ccccc12
Show InChI InChI=1S/C20H18N4O/c1-24-12-17(15-8-3-4-9-18(15)24)19-16(11-22-20(21)23-19)13-6-5-7-14(10-13)25-2/h3-12H,1-2H3,(H2,21,22,23)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295875
PNG
(4-(1H-Indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-a...)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H16N4O/c1-24-13-6-4-5-12(9-13)15-10-22-19(20)23-18(15)16-11-21-17-8-3-2-7-14(16)17/h2-11,21H,1H3,(H2,20,22,23)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295883
PNG
(4-(1-Methyl-1H-indol-3-yl)-5,50-bipyrimidin-2-amin...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2cncnc2)c2ccccc12
Show InChI InChI=1S/C17H14N6/c1-23-9-14(12-4-2-3-5-15(12)23)16-13(8-21-17(18)22-16)11-6-19-10-20-7-11/h2-10H,1H3,(H2,18,21,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295881
PNG
(4-(1H-indol-3-yl)-5-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES Nc1ncc(-c2ccc(OC(F)(F)F)cc2)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295872
PNG
(5-Iodo-4-(1-Methyl-1H-indol-3-yl)pyrimidin-2-amine...)
Show SMILES Cn1cc(-c2nc(N)ncc2I)c2ccccc12
Show InChI InChI=1S/C13H11IN4/c1-18-7-9(8-4-2-3-5-11(8)18)12-10(14)6-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295884
PNG
(1-(4-(2-amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-...)
Show SMILES CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1cn(C)c2ccccc12
Show InChI InChI=1S/C21H18N4O/c1-13(26)14-7-9-15(10-8-14)17-11-23-21(22)24-20(17)18-12-25(2)19-6-4-3-5-16(18)19/h3-12H,1-2H3,(H2,22,23,24)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295878
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(pyridin-4-yl)pyrimid...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccncc2)c2ccccc12
Show InChI InChI=1S/C18H15N5/c1-23-11-15(13-4-2-3-5-16(13)23)17-14(10-21-18(19)22-17)12-6-8-20-9-7-12/h2-11H,1H3,(H2,19,21,22)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295876
PNG
(4-(1H-Indol-3-yl)-5-(3-aminophenyl)pyrimidin-2-ami...)
Show SMILES Nc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H15N5/c19-12-5-3-4-11(8-12)14-9-22-18(20)23-17(14)15-10-21-16-7-2-1-6-13(15)16/h1-10,21H,19H2,(H2,20,22,23)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295880
PNG
(4-[2-Amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-y...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(N)=O)c2ccccc12
Show InChI InChI=1S/C20H17N5O/c1-25-11-16(14-4-2-3-5-17(14)25)18-15(10-23-20(22)24-18)12-6-8-13(9-7-12)19(21)26/h2-11H,1H3,(H2,21,26)(H2,22,23,24)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295882
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(3-methoxyphenyl)pyri...)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1cn(C)c2ccccc12
Show InChI InChI=1S/C20H18N4O/c1-24-12-17(15-8-3-4-9-18(15)24)19-16(11-22-20(21)23-19)13-6-5-7-14(10-13)25-2/h3-12H,1-2H3,(H2,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295881
PNG
(4-(1H-indol-3-yl)-5-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES Nc1ncc(-c2ccc(OC(F)(F)F)cc2)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295884
PNG
(1-(4-(2-amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-...)
Show SMILES CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1cn(C)c2ccccc12
Show InChI InChI=1S/C21H18N4O/c1-13(26)14-7-9-15(10-8-14)17-11-23-21(22)24-20(17)18-12-25(2)19-6-4-3-5-16(18)19/h3-12H,1-2H3,(H2,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295885
PNG
(5-(biphenyl-4-yl)-4-(1-methyl-1H-indol-3-yl)pyrimi...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H20N4/c1-29-16-22(20-9-5-6-10-23(20)29)24-21(15-27-25(26)28-24)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3,(H2,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295875
PNG
(4-(1H-Indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-a...)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H16N4O/c1-24-13-6-4-5-12(9-13)15-10-22-19(20)23-18(15)16-11-21-17-8-3-2-7-14(16)17/h2-11,21H,1H3,(H2,20,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295883
PNG
(4-(1-Methyl-1H-indol-3-yl)-5,50-bipyrimidin-2-amin...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2cncnc2)c2ccccc12
Show InChI InChI=1S/C17H14N6/c1-23-9-14(12-4-2-3-5-15(12)23)16-13(8-21-17(18)22-16)11-6-19-10-20-7-11/h2-10H,1H3,(H2,18,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295876
PNG
(4-(1H-Indol-3-yl)-5-(3-aminophenyl)pyrimidin-2-ami...)
Show SMILES Nc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H15N5/c19-12-5-3-4-11(8-12)14-9-22-18(20)23-17(14)15-10-21-16-7-2-1-6-13(15)16/h1-10,21H,19H2,(H2,20,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295879
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(3-aminophenyl)pyrimi...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2cccc(N)c2)c2ccccc12
Show InChI InChI=1S/C19H17N5/c1-24-11-16(14-7-2-3-8-17(14)24)18-15(10-22-19(21)23-18)12-5-4-6-13(20)9-12/h2-11H,20H2,1H3,(H2,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295873
PNG
(4-[2-Amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzami...)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H15N5O/c20-18(25)12-7-5-11(6-8-12)14-9-23-19(21)24-17(14)15-10-22-16-4-2-1-3-13(15)16/h1-10,22H,(H2,20,25)(H2,21,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295880
PNG
(4-[2-Amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-y...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(N)=O)c2ccccc12
Show InChI InChI=1S/C20H17N5O/c1-25-11-16(14-4-2-3-5-17(14)25)18-15(10-23-20(22)24-18)12-6-8-13(9-7-12)19(21)26/h2-11H,1H3,(H2,21,26)(H2,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295877
PNG
(4-[2-Amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-y...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C20H16N4O2/c1-24-11-16(14-4-2-3-5-17(14)24)18-15(10-22-20(21)23-18)12-6-8-13(9-7-12)19(25)26/h2-11H,1H3,(H,25,26)(H2,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50295883
PNG
(4-(1-Methyl-1H-indol-3-yl)-5,50-bipyrimidin-2-amin...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2cncnc2)c2ccccc12
Show InChI InChI=1S/C17H14N6/c1-23-9-14(12-4-2-3-5-15(12)23)16-13(8-21-17(18)22-16)11-6-19-10-20-7-11/h2-10H,1H3,(H2,18,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50295885
PNG
(5-(biphenyl-4-yl)-4-(1-methyl-1H-indol-3-yl)pyrimi...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H20N4/c1-29-16-22(20-9-5-6-10-23(20)29)24-21(15-27-25(26)28-24)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3,(H2,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DYRK1A expressed in Escherichia coli


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295884
PNG
(1-(4-(2-amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-...)
Show SMILES CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1cn(C)c2ccccc12
Show InChI InChI=1S/C21H18N4O/c1-13(26)14-7-9-15(10-8-14)17-11-23-21(22)24-20(17)18-12-25(2)19-6-4-3-5-16(18)19/h3-12H,1-2H3,(H2,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295885
PNG
(5-(biphenyl-4-yl)-4-(1-methyl-1H-indol-3-yl)pyrimi...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H20N4/c1-29-16-22(20-9-5-6-10-23(20)29)24-21(15-27-25(26)28-24)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3,(H2,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295882
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(3-methoxyphenyl)pyri...)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1cn(C)c2ccccc12
Show InChI InChI=1S/C20H18N4O/c1-24-12-17(15-8-3-4-9-18(15)24)19-16(11-22-20(21)23-19)13-6-5-7-14(10-13)25-2/h3-12H,1-2H3,(H2,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Bioorg Med Chem 17: 4420-4 (2009)


Article DOI: 10.1016/j.bmc.2009.05.017
BindingDB Entry DOI: 10.7270/Q2639PSH
More data for this
Ligand-Target Pair
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