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PubMed code 19364658

Compile data set for download or QSAR
Found 113 hits of Enzyme Inhibition Constant Data   
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
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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n/an/a 60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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n/an/a 160n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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n/an/a 290n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259483
PNG
(3-{[1-(3-Hydroxyphenyl)ethyl]amino}-4-(pyridin-4-y...)
Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H15N3O3/c1-10(11-3-2-4-13(21)9-11)19-14-15(17(23)16(14)22)20-12-5-7-18-8-6-12/h2-10,19,21H,1H3,(H,18,20)
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n/an/a 380n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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n/an/a 390n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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n/an/a 520n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50258907
PNG
(3-{[(1R)-1-Phenylethyl]amino}-4-{[2-(pyrimidin-4-y...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3ccncn3)c2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H18N6O2/c1-13(14-5-3-2-4-6-14)25-18-19(21(29)20(18)28)26-15-7-10-23-17(11-15)27-16-8-9-22-12-24-16/h2-13,25H,1H3,(H2,22,23,24,26,27)/t13-/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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n/an/a 780n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50258950
PNG
(CHEMBL468322 | N-{4-[(3,4-Dioxo-2-{[(1R)-1-phenyle...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(NC(=O)c3cccnc3)c2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H19N5O3/c1-14(15-6-3-2-4-7-15)26-19-20(22(30)21(19)29)27-17-9-11-25-18(12-17)28-23(31)16-8-5-10-24-13-16/h2-14,26H,1H3,(H2,25,27,28,31)/t14-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50258908
PNG
(3-{[(1R)-1-Phenylethyl]amino}-4-{[2-(pyrazin-2-yla...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3cnccn3)c2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H18N6O2/c1-13(14-5-3-2-4-6-14)25-18-19(21(29)20(18)28)26-15-7-8-23-16(11-15)27-17-12-22-9-10-24-17/h2-13,25H,1H3,(H2,23,24,26,27)/t13-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259379
PNG
(3-[(1-Methyl-1-phenylethyl)amino]-4-(pyridin-4-yla...)
Show SMILES CC(C)(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-18(2,12-6-4-3-5-7-12)21-15-14(16(22)17(15)23)20-13-8-10-19-11-9-13/h3-11,21H,1-2H3,(H,19,20)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50258909
PNG
(3-{[(1R)-1-Phenylethyl]amino}-4-{[2-(pyrimidin-2-y...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3ncccn3)c2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H18N6O2/c1-13(14-6-3-2-4-7-14)25-17-18(20(29)19(17)28)26-15-8-11-22-16(12-15)27-21-23-9-5-10-24-21/h2-13,25H,1H3,(H2,22,23,24,26,27)/t13-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50258906
PNG
(3-({4-[(3,4-Dioxo-2-{[(1R)-1-phenylethyl]amino}-cy...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3cccc(c3)C(N)=O)c2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H21N5O3/c1-14(15-6-3-2-4-7-15)27-20-21(23(31)22(20)30)29-18-10-11-26-19(13-18)28-17-9-5-8-16(12-17)24(25)32/h2-14,27H,1H3,(H2,25,32)(H2,26,28,29)/t14-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259600
PNG
(3-{[(1R)-1-Phenylethyl]amino}-4-[(2-phenylpyridin-...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H19N3O2/c1-15(16-8-4-2-5-9-16)25-20-21(23(28)22(20)27)26-18-12-13-24-19(14-18)17-10-6-3-7-11-17/h2-15,25H,1H3,(H,24,26)/t15-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259636
PNG
(3-(2,40-Bipyridin-4-ylamino)-4-{[(1R)-1-phenylethy...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H18N4O2/c1-14(15-5-3-2-4-6-15)25-19-20(22(28)21(19)27)26-17-9-12-24-18(13-17)16-7-10-23-11-8-16/h2-14,25H,1H3,(H,24,26)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259635
PNG
(3-{[2-(3-Methoxyphenyl)pyridin-4-yl]amino}-4-{[(1R...)
Show SMILES COc1cccc(c1)-c1cc(Nc2c(N[C@H](C)c3ccccc3)c(=O)c2=O)ccn1 |r|
Show InChI InChI=1S/C24H21N3O3/c1-15(16-7-4-3-5-8-16)26-21-22(24(29)23(21)28)27-18-11-12-25-20(14-18)17-9-6-10-19(13-17)30-2/h3-15,26H,1-2H3,(H,25,27)/t15-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50258910
PNG
(CHEMBL468292 | N-{4-[(3,4-Dioxo-2-{[(1R)-1-phenyle...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(NC(C)=O)c2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H18N4O3/c1-11(13-6-4-3-5-7-13)21-16-17(19(26)18(16)25)23-14-8-9-20-15(10-14)22-12(2)24/h3-11,21H,1-2H3,(H2,20,22,23,24)/t11-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259531
PNG
(3-{[1-(4-hydroxyphenyl)ethyl]amino}-4-(pyridin-4-y...)
Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H15N3O3/c1-10(11-2-4-13(21)5-3-11)19-14-15(17(23)16(14)22)20-12-6-8-18-9-7-12/h2-10,19,21H,1H3,(H,18,20)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259564
PNG
(3-{[(1S)-2-Hydroxy-1-phenylethyl]amino}-4-(pyridin...)
Show SMILES OCC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H15N3O3/c21-10-13(11-4-2-1-3-5-11)20-15-14(16(22)17(15)23)19-12-6-8-18-9-7-12/h1-9,13,20-21H,10H2,(H,18,19)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259528
PNG
(CHEMBL452699 | N-[3-(1-{[3,4-Dioxo-2-(pyridin-4-yl...)
Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C19H18N4O3/c1-11(13-4-3-5-15(10-13)22-12(2)24)21-16-17(19(26)18(16)25)23-14-6-8-20-9-7-14/h3-11,21H,1-2H3,(H,20,23)(H,22,24)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259602
PNG
(3-{[2-(3-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2cccc(F)c2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-6-3-2-4-7-15)26-20-21(23(29)22(20)28)27-18-10-11-25-19(13-18)16-8-5-9-17(24)12-16/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259530
PNG
(3-{[1-(4-Fluorophenyl)ethyl]amino}-4-(pyridin-4-yl...)
Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H14FN3O2/c1-10(11-2-4-12(18)5-3-11)20-14-15(17(23)16(14)22)21-13-6-8-19-9-7-13/h2-10,20H,1H3,(H,19,21)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259639
PNG
(3-[(2-Anilinopyridin-4-yl)amino]-4-{[(1R)-1-phenyl...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3ccccc3)c2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H20N4O2/c1-15(16-8-4-2-5-9-16)25-20-21(23(29)22(20)28)27-18-12-13-24-19(14-18)26-17-10-6-3-7-11-17/h2-15,25H,1H3,(H2,24,26,27)/t15-/m1/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259479
PNG
(3-{[1-(2-Fluorophenyl)ethyl]amino}-4-(pyridin-4-yl...)
Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1F
Show InChI InChI=1S/C17H14FN3O2/c1-10(12-4-2-3-5-13(12)18)20-14-15(17(23)16(14)22)21-11-6-8-19-9-7-11/h2-10,20H,1H3,(H,19,21)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50259598
PNG
(3-{[(1R)-1-Phenylethyl]amino}-4-(1H-pyrazol-3-ylam...)
Show SMILES C[C@@H](Nc1c(Nc2ccn[nH]2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C15H14N4O2/c1-9(10-5-3-2-4-6-10)17-12-13(15(21)14(12)20)18-11-7-8-16-19-11/h2-9,17H,1H3,(H2,16,18,19)/t9-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259482
PNG
(3-{[1-(3-Aminophenyl)ethyl]amino}-4-(pyridin-4-yla...)
Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(N)c1
Show InChI InChI=1S/C17H16N4O2/c1-10(11-3-2-4-12(18)9-11)20-14-15(17(23)16(14)22)21-13-5-7-19-8-6-13/h2-10,20H,18H2,1H3,(H,19,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
SRC


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 1.53E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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n/an/a 2.17E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259529
PNG
(CHEMBL511219 | N-[3-(1-{[3,4-Dioxo-2-(pyridin-4-yl...)
Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H18N4O4S/c1-11(12-4-3-5-14(10-12)22-27(2,25)26)20-15-16(18(24)17(15)23)21-13-6-8-19-9-7-13/h3-11,20,22H,1-2H3,(H,19,21)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 2.71E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259480
PNG
(3-{[1-(2-Hydroxyphenyl)ethyl]amino}-4-(pyridin-4-y...)
Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1O
Show InChI InChI=1S/C17H15N3O3/c1-10(12-4-2-3-5-13(12)21)19-14-15(17(23)16(14)22)20-11-6-8-18-9-7-11/h2-10,19,21H,1H3,(H,18,20)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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n/an/a 3.36E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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n/an/a 3.62E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50259598
PNG
(3-{[(1R)-1-Phenylethyl]amino}-4-(1H-pyrazol-3-ylam...)
Show SMILES C[C@@H](Nc1c(Nc2ccn[nH]2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C15H14N4O2/c1-9(10-5-3-2-4-6-10)17-12-13(15(21)14(12)20)18-11-7-8-16-19-11/h2-9,17H,1H3,(H2,16,18,19)/t9-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 4.05E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259481
PNG
(3-{[1-(3-Methylphenyl)ethyl]amino}-4-(pyridin-4-yl...)
Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(C)c1
Show InChI InChI=1S/C18H17N3O2/c1-11-4-3-5-13(10-11)12(2)20-15-16(18(23)17(15)22)21-14-6-8-19-9-7-14/h3-10,12,20H,1-2H3,(H,19,21)
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n/an/a 4.90E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50259563
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50259638
PNG
(3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1-gamma1 (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50259601
PNG
(3-{[2-(2-Fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H18FN3O2/c1-14(15-7-3-2-4-8-15)26-20-21(23(29)22(20)28)27-16-11-12-25-19(13-16)17-9-5-6-10-18(17)24/h2-14,26H,1H3,(H,25,27)/t14-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50259637
PNG
(3-{[2-(2-Furyl)pyridin-4-yl]amino}-4-{[(1R)-1-phen...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H17N3O3/c1-13(14-6-3-2-4-7-14)23-18-19(21(26)20(18)25)24-15-9-10-22-16(12-15)17-8-5-11-27-17/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50259532
PNG
(2-{[3,4-Dioxo-2-(pyridin-4-ylamino)cyclobut-1-en-1...)
Show SMILES NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c18-17(24)12(10-4-2-1-3-5-10)21-14-13(15(22)16(14)23)20-11-6-8-19-9-7-11/h1-9,12,21H,(H2,18,24)(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259380
PNG
(3-{[(1R)-1-Cyclohexylethyl]amino}-4-(pyridin-4-yla...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C17H21N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h7-12,19H,2-6H2,1H3,(H,18,20)/t11-/m1/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259478
PNG
(3-(Pyridin-4-ylamino)-4-{[1-(1,3-thiazol-2-yl)ethy...)
Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1nccs1
Show InChI InChI=1S/C14H12N4O2S/c1-8(14-16-6-7-21-14)17-10-11(13(20)12(10)19)18-9-2-4-15-5-3-9/h2-8,17H,1H3,(H,15,18)
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n/an/a 8.10E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259378
PNG
(3-(Benzylamino)-4-(pyridin-4-ylamino)cyclobut-3-en...)
Show SMILES O=c1c(NCc2ccccc2)c(Nc2ccncc2)c1=O
Show InChI InChI=1S/C16H13N3O2/c20-15-13(18-10-11-4-2-1-3-5-11)14(16(15)21)19-12-6-8-17-9-7-12/h1-9,18H,10H2,(H,17,19)
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n/an/a 8.80E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259598
PNG
(3-{[(1R)-1-Phenylethyl]amino}-4-(1H-pyrazol-3-ylam...)
Show SMILES C[C@@H](Nc1c(Nc2ccn[nH]2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C15H14N4O2/c1-9(10-5-3-2-4-6-10)17-12-13(15(21)14(12)20)18-11-7-8-16-19-11/h2-9,17H,1H3,(H2,16,18,19)/t9-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259566
PNG
(3-[Methyl(pyridin-4-yl)amino]-4-{[(1R)-1-phenyleth...)
Show SMILES C[C@@H](Nc1c(N(C)c2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H17N3O2/c1-12(13-6-4-3-5-7-13)20-15-16(18(23)17(15)22)21(2)14-8-10-19-11-9-14/h3-12,20H,1-2H3/t12-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259599
PNG
(3-[(2-Chloropyridin-4-yl)amino]-4-{[(1R)-1-phenyle...)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Cl)c2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H14ClN3O2/c1-10(11-5-3-2-4-6-11)20-14-15(17(23)16(14)22)21-12-7-8-19-13(18)9-12/h2-10,20H,1H3,(H,19,21)/t10-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259568
PNG
(3-{[(1R)-1-Phenylethyl]amino}-4-(pyrimidin-4-ylami...)
Show SMILES C[C@@H](Nc1c(Nc2ccncn2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C16H14N4O2/c1-10(11-5-3-2-4-6-11)19-13-14(16(22)15(13)21)20-12-7-8-17-9-18-12/h2-10,19H,1H3,(H,17,18,20)/t10-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259567
PNG
((R)-3-(1-phenylethylamino)-4-(pyridin-3-ylamino)cy...)
Show SMILES C[C@@H](Nc1c(Nc2cccnc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-6-3-2-4-7-12)19-14-15(17(22)16(14)21)20-13-8-5-9-18-10-13/h2-11,19-20H,1H3/t11-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259377
PNG
(3-{[(1S)-1-Phenylethyl]amino}-4-(pyridin-4-ylamino...)
Show SMILES C[C@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m0/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50259565
PNG
(3-{Methyl[(1R)-1-phenylethyl]amino}-4-(pyridin-4-y...)
Show SMILES C[C@@H](N(C)c1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H17N3O2/c1-12(13-6-4-3-5-7-13)21(2)16-15(17(22)18(16)23)20-14-8-10-19-11-9-14/h3-12H,1-2H3,(H,19,20)/t12-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem 17: 3342-51 (2009)


Article DOI: 10.1016/j.bmc.2009.03.041
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
* indicates data uncertainty>20%