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Compile Data Set for Download or QSAR

Found 16 hits of ic50 for monomerid = 50259376   
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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PubMed
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
Casein kinase I isoform gamma-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 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
Casein kinase I isoform 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 |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



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
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
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 |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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PubMed
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
Cytochrome P450 3A4


(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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
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
BindingDB Entry DOI: 10.7270/Q2WW7HK4
More data for this
Ligand-Target Pair
Cytochrome P450 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
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 |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
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 |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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Article
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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)
Platelet-derived growth factor receptor 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 |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
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 |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>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
Tyrosine-protein kinase Fyn


(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>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
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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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
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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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
Inhibitor of nuclear factor kappa-B kinase subunit 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 |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>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