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15 molecules are shown

Wt: 327.7
BDBM50259599
Wt: 293.3
BDBM50259376
Wt: 293.3
BDBM50259377
Wt: 279.2
BDBM50259378
Wt: 307.3
BDBM50259379
Wt: 311.3
BDBM50259479
Wt: 309.3
BDBM50259480
Wt: 307.3
BDBM50259481
Wt: 308.3
BDBM50259482
Wt: 309.3
BDBM50259483
Wt: 311.3
BDBM50259530
Wt: 309.3
BDBM50259531
Wt: 309.3
BDBM50259564
Wt: 307.3
BDBM50259565
Wt: 307.3
BDBM50259566

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50259599,50259376,50259377,50259378,50259379,50259479,50259480,50259481,50259482,50259483,50259530,50259531,50259564,50259565,50259566   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(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
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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.007
BindingDB Entry DOI: 10.7270/Q2FJ2J2F
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
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>5.00E+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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
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>5.00E+4n/an/an/an/an/an/a



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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens)
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
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>5.00E+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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
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>5.00E+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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
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
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
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
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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n/an/a>1.00E+5n/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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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n/an/a>1.00E+5n/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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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n/an/a 9.30E+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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
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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n/an/a>1.00E+5n/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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
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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n/an/a>1.00E+5n/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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens)
BDBM50259376
PNG
(3-((R)-1-Phenyl-ethylamino)-4-(pyridin-4-ylamino)-...)
Show SMILES C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
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>5.00E+4n/an/an/an/an/an/a



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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair