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PubMed code 15177483

Compile data set for download or QSAR
Found 33 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


(Mus musculus (mouse))		BDBM50148704
PNG
((6-Chloro-2-methyl-3H-benzoimidazol-5-yl)-[4-(2,4-...)
Show SMILES Cc1nc2cc(Cl)c(cc2[nH]1)C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C21H14ClF2N3O/c1-11-25-19-9-15(16(22)10-20(19)26-11)21(28)12-2-5-14(6-3-12)27-18-7-4-13(23)8-17(18)24/h2-10,27H,1H3,(H,25,26)
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n/an/a 700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148720
PNG
(CHEMBL120160 | [4-(2,4-Difluoro-phenylamino)-pheny...)
Show SMILES COc1ccc(\C=C\C2(O)CCN(C)CC2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C28H28F2N2O3/c1-32-15-13-28(34,14-16-32)12-11-19-3-10-26(35-2)23(17-19)27(33)20-4-7-22(8-5-20)31-25-9-6-21(29)18-24(25)30/h3-12,17-18,31,34H,13-16H2,1-2H3/b12-11+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50148709
PNG
((5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Show InChI InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibit of human Met proto-oncogene tyrosine kinase

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50148708
PNG
(CHEMBL120067 | [4-(2,4-Difluoro-phenylamino)-pheny...)
Show SMILES COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C22H17F2N3O2/c1-12-25-19-10-16(21(29-2)11-20(19)26-12)22(28)13-3-6-15(7-4-13)27-18-8-5-14(23)9-17(18)24/h3-11,27H,1-2H3,(H,25,26)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 3A4

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50148709
PNG
((5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Show InChI InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 2C9

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50148708
PNG
(CHEMBL120067 | [4-(2,4-Difluoro-phenylamino)-pheny...)
Show SMILES COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C22H17F2N3O2/c1-12-25-19-10-16(21(29-2)11-20(19)26-12)22(28)13-3-6-15(7-4-13)27-18-8-5-14(23)9-17(18)24/h3-11,27H,1-2H3,(H,25,26)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 2D6

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50148709
PNG
((5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Show InChI InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 2D6

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50148708
PNG
(CHEMBL120067 | [4-(2,4-Difluoro-phenylamino)-pheny...)
Show SMILES COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C22H17F2N3O2/c1-12-25-19-10-16(21(29-2)11-20(19)26-12)22(28)13-3-6-15(7-4-13)27-18-8-5-14(23)9-17(18)24/h3-11,27H,1-2H3,(H,25,26)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 1A2

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50148709
PNG
((5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Show InChI InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 1A2

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50148708
PNG
(CHEMBL120067 | [4-(2,4-Difluoro-phenylamino)-pheny...)
Show SMILES COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C22H17F2N3O2/c1-12-25-19-10-16(21(29-2)11-20(19)26-12)22(28)13-3-6-15(7-4-13)27-18-8-5-14(23)9-17(18)24/h3-11,27H,1-2H3,(H,25,26)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 2C9

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50148709
PNG
((5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Show InChI InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 3A4

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50148709
PNG
((5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Show InChI InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human Epidermal growth factor receptor

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148708
PNG
(CHEMBL120067 | [4-(2,4-Difluoro-phenylamino)-pheny...)
Show SMILES COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C22H17F2N3O2/c1-12-25-19-10-16(21(29-2)11-20(19)26-12)22(28)13-3-6-15(7-4-13)27-18-8-5-14(23)9-17(18)24/h3-11,27H,1-2H3,(H,25,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148716
PNG
(CHEMBL334158 | [5-(3-Amino-3-methyl-but-1-ynyl)-2-...)
Show SMILES CC(C)(N)C#Cc1ccc(Cl)c(c1)C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C24H19ClF2N2O/c1-24(2,28)12-11-15-3-9-20(25)19(13-15)23(30)16-4-7-18(8-5-16)29-22-10-6-17(26)14-21(22)27/h3-10,13-14,29H,28H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148715
PNG
((6-Chloro-2-methyl-3H-benzoimidazol-5-yl)-[6-(2,4-...)
Show SMILES Cc1nc2cc(Cl)c(cc2[nH]1)C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
Show InChI InChI=1S/C20H13ClF2N4O/c1-10-25-17-7-13(14(21)8-18(17)26-10)20(28)11-2-5-19(24-9-11)27-16-4-3-12(22)6-15(16)23/h2-9H,1H3,(H,24,27)(H,25,26)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148711
PNG
(CHEMBL121512 | [5-(3-Amino-3-methyl-but-1-ynyl)-2-...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1)C#CC(C)(C)N
Show InChI InChI=1S/C24H21F2N3O2/c1-24(2,27)11-10-15-4-8-21(31-3)18(12-15)23(30)16-5-9-22(28-14-16)29-20-7-6-17(25)13-19(20)26/h4-9,12-14H,27H2,1-3H3,(H,28,29)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50148709
PNG
((5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Show InChI InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3
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n/an/a 8.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human Epidermal growth factor receptor

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))		BDBM50148709
PNG
((5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Show InChI InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibit of human c-Jun N-terminal kinase 2

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))		BDBM50148708
PNG
(CHEMBL120067 | [4-(2,4-Difluoro-phenylamino)-pheny...)
Show SMILES COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C22H17F2N3O2/c1-12-25-19-10-16(21(29-2)11-20(19)26-12)22(28)13-3-6-15(7-4-13)27-18-8-5-14(23)9-17(18)24/h3-11,27H,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibit of human c-Jun N-terminal kinase 2

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148707
PNG
((2-Chloro-phenyl)-[4-(2,4-difluoro-phenylamino)-ph...)
Show SMILES Fc1ccc(Nc2ccc(cc2)C(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C19H12ClF2NO/c20-16-4-2-1-3-15(16)19(24)12-5-8-14(9-6-12)23-18-10-7-13(21)11-17(18)22/h1-11,23H
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n/an/a 1.10E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148709
PNG
((5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Show InChI InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148706
PNG
(CHEMBL332738 | [5-(3-Amino-3-methyl-but-1-ynyl)-2-...)
Show SMILES CC(C)(N)C#Cc1ccc(Cl)c(c1)C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
Show InChI InChI=1S/C23H18ClF2N3O/c1-23(2,27)10-9-14-3-6-18(24)17(11-14)22(30)15-4-8-21(28-13-15)29-20-7-5-16(25)12-19(20)26/h3-8,11-13H,27H2,1-2H3,(H,28,29)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148705
PNG
(CHEMBL334248 | [6-(2,4-Difluoro-phenylamino)-pyrid...)
Show SMILES COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
Show InChI InChI=1S/C21H16F2N4O2/c1-11-25-17-8-14(19(29-2)9-18(17)26-11)21(28)12-3-6-20(24-10-12)27-16-5-4-13(22)7-15(16)23/h3-10H,1-2H3,(H,24,27)(H,25,26)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148712
PNG
(CHEMBL120127 | [4-(2,4-Difluoro-phenylamino)-pheny...)
Show SMILES COc1ccccc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C20H15F2NO2/c1-25-19-5-3-2-4-16(19)20(24)13-6-9-15(10-7-13)23-18-11-8-14(21)12-17(18)22/h2-12,23H,1H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148718
PNG
(CHEMBL332342 | [4-(2,4-Difluoro-phenylamino)-pheny...)
Show SMILES COc1ccc(CCC2(O)CCN(C)CC2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C28H30F2N2O3/c1-32-15-13-28(34,14-16-32)12-11-19-3-10-26(35-2)23(17-19)27(33)20-4-7-22(8-5-20)31-25-9-6-21(29)18-24(25)30/h3-10,17-18,31,34H,11-16H2,1-2H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148713
PNG
(CHEMBL120317 | [6-(2,4-Difluoro-phenylamino)-pyrid...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1)C#CC(C)(C)O
Show InChI InChI=1S/C24H20F2N2O3/c1-24(2,30)11-10-15-4-8-21(31-3)18(12-15)23(29)16-5-9-22(27-14-16)28-20-7-6-17(25)13-19(20)26/h4-9,12-14,30H,1-3H3,(H,27,28)
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n/an/a 5.40E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50148709
PNG
((5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)(4...)
Show SMILES COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
Show InChI InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3
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n/an/a>8.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human prostaglandin G/H synthase 1

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50148708
PNG
(CHEMBL120067 | [4-(2,4-Difluoro-phenylamino)-pheny...)
Show SMILES COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C22H17F2N3O2/c1-12-25-19-10-16(21(29-2)11-20(19)26-12)22(28)13-3-6-15(7-4-13)27-18-8-5-14(23)9-17(18)24/h3-11,27H,1-2H3,(H,25,26)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human prostaglandin G/H synthase 1

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148717
PNG
((2-Chloro-phenyl)-[6-(2,4-difluoro-phenylamino)-py...)
Show SMILES Fc1ccc(Nc2ccc(cn2)C(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C18H11ClF2N2O/c19-14-4-2-1-3-13(14)18(24)11-5-8-17(22-10-11)23-16-7-6-12(20)9-15(16)21/h1-10H,(H,22,23)
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n/an/a 1.01E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148721
PNG
(CHEMBL121508 | [5-(3-Amino-3-methyl-butyl)-2-metho...)
Show SMILES COc1ccc(CCC(C)(C)N)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C25H26F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,12-13,28H2,1-3H3
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n/an/a 1.13E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148719
PNG
(CHEMBL120175 | [5-(3-Amino-3-methyl-butyl)-2-chlor...)
Show SMILES CC(C)(N)CCc1ccc(Cl)c(c1)C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
Show InChI InChI=1S/C23H22ClF2N3O/c1-23(2,27)10-9-14-3-6-18(24)17(11-14)22(30)15-4-8-21(28-13-15)29-20-7-5-16(25)12-19(20)26/h3-8,11-13H,9-10,27H2,1-2H3,(H,28,29)
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n/an/a 1.60E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148710
PNG
((5-Bromo-2-chloro-phenyl)-[6-(2,4-difluoro-phenyla...)
Show SMILES Fc1ccc(Nc2ccc(cn2)C(=O)c2cc(Br)ccc2Cl)c(F)c1
Show InChI InChI=1S/C18H10BrClF2N2O/c19-11-2-4-14(20)13(7-11)18(25)10-1-6-17(23-9-10)24-16-5-3-12(21)8-15(16)22/h1-9H,(H,23,24)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50148714
PNG
(CHEMBL120128 | [6-(2,4-Difluoro-phenylamino)-pyrid...)
Show SMILES COc1ccc(CCC(C)(C)O)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
Show InChI InChI=1S/C24H24F2N2O3/c1-24(2,30)11-10-15-4-8-21(31-3)18(12-15)23(29)16-5-9-22(27-14-16)28-20-7-6-17(25)13-19(20)26/h4-9,12-14,30H,10-11H2,1-3H3,(H,27,28)
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n/an/a 4.79E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.

Bioorg Med Chem Lett 14: 3601-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.111
BindingDB Entry DOI: 10.7270/Q2NS0VFM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%