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PubMed code 19097792

Compile data set for download or QSAR
Found 24 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of PDGFRb (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256724
PNG
(CHEMBL475794 | N-(5-chloropyridin-3-yl)-5-(3-(2-cy...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1C(=O)Nc1cncc(Cl)c1
Show InChI InChI=1S/C24H21ClN4O2/c1-15-7-8-19(11-21(15)23(31)29-20-10-18(25)12-27-13-20)28-22(30)16-5-4-6-17(9-16)24(2,3)14-26/h4-13H,1-3H3,(H,28,30)(H,29,31)
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n/an/a 400n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 478n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of PTK2 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 672n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 700n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256751
PNG
(CHEMBL514670 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(N)c(Cl)c1
Show InChI InChI=1S/C21H16ClF3N4O2/c1-11-5-6-14(28-19(30)12-3-2-4-13(7-12)21(23,24)25)8-16(11)20(31)29-15-9-17(22)18(26)27-10-15/h2-10H,1H3,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 1.80E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256679
PNG
(5-(3-(2-cyanopropan-2-yl)benzamido)-2-methyl-N-(5-...)
Show SMILES Cc1cncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(C)(C)C#N)ccc2C)c1
Show InChI InChI=1S/C25H24N4O2/c1-16-10-21(14-27-13-16)29-24(31)22-12-20(9-8-17(22)2)28-23(30)18-6-5-7-19(11-18)25(3,4)15-26/h5-14H,1-4H3,(H,28,30)(H,29,31)
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n/an/a 1.80E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256727
PNG
(CHEMBL475799 | N-(6-amino-5-chloropyridin-3-yl)-5-...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1C(=O)Nc1cnc(N)c(Cl)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-14-7-8-17(10-19(14)23(32)30-18-11-20(25)21(27)28-12-18)29-22(31)15-5-4-6-16(9-15)24(2,3)13-26/h4-12H,1-3H3,(H2,27,28)(H,29,31)(H,30,32)
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n/an/a 4.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256636
PNG
(5-(3-(2-cyanopropan-2-yl)benzamido)-2-methyl-N-(6-...)
Show SMILES CNc1ccc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(C)(C)C#N)ccc2C)cn1
Show InChI InChI=1S/C25H25N5O2/c1-16-8-9-19(13-21(16)24(32)30-20-10-11-22(27-4)28-14-20)29-23(31)17-6-5-7-18(12-17)25(2,3)15-26/h5-14H,1-4H3,(H,27,28)(H,29,31)(H,30,32)
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n/an/a 4.90E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256634
PNG
(5-(3-(2-cyanopropan-2-yl)benzamido)-2-methyl-N-(6-...)
Show SMILES Cc1ccc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(C)(C)C#N)ccc2C)cn1
Show InChI InChI=1S/C25H24N4O2/c1-16-8-10-20(13-22(16)24(31)29-21-11-9-17(2)27-14-21)28-23(30)18-6-5-7-19(12-18)25(3,4)15-26/h5-14H,1-4H3,(H,28,30)(H,29,31)
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n/an/a 9.80E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 2.90E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Plk (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Pak1 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of IGFR1 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Kdr (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk2 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Csk (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Jnk1 (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%