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PubMed code 20712346

Compile data set for download or QSAR
Found 23 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))
BDBM50326904
PNG
(8-(2,4-Difluorophenyl)-3-(2,4-difluorophenylamino)...)
Show SMILES Cn1c2c(nncc2cc(Nc2ccc(F)cc2F)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H12F4N4O/c1-28-19-10(9-25-27-18(19)13-4-2-11(21)7-14(13)23)6-17(20(28)29)26-16-5-3-12(22)8-15(16)24/h2-9,26H,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326917
PNG
(CHEMBL1254901 | N-Cyclopropyl-3-(8-(2,4-difluoroph...)
Show SMILES Cc1c(F)cc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C25H19F3N4O2/c1-12-18(7-13(9-20(12)27)24(33)30-16-4-5-16)19-8-14-11-29-31-22(23(14)32(2)25(19)34)17-6-3-15(26)10-21(17)28/h3,6-11,16H,4-5H2,1-2H3,(H,30,33)
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326925
PNG
(3-(8-(2-Chloro-5-fluorophenyl)-1-methyl-2-oxo-1,2-...)
Show SMILES Cc1cnc(cc1-c1cc2cnnc(-c3cc(F)ccc3Cl)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C24H19ClFN5O2/c1-12-10-27-20(23(32)29-15-4-5-15)9-16(12)17-7-13-11-28-30-21(22(13)31(2)24(17)33)18-8-14(26)3-6-19(18)25/h3,6-11,15H,4-5H2,1-2H3,(H,29,32)
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n/an/a 1.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326921
PNG
(3-(8-(2-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydropy...)
Show SMILES Cc1cnc(cc1-c1cc2cnnc(-c3ccccc3Cl)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C24H20ClN5O2/c1-13-11-26-20(23(31)28-15-7-8-15)10-17(13)18-9-14-12-27-29-21(22(14)30(2)24(18)32)16-5-3-4-6-19(16)25/h3-6,9-12,15H,7-8H2,1-2H3,(H,28,31)
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n/an/a 2.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326903
PNG
(8-(2,4-Difluorophenyl)-3-(4-fluorophenylamino)-1-m...)
Show SMILES Cn1c2c(nncc2cc(Nc2ccc(F)cc2)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H13F3N4O/c1-27-19-11(8-17(20(27)28)25-14-5-2-12(21)3-6-14)10-24-26-18(19)15-7-4-13(22)9-16(15)23/h2-10,25H,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326918
PNG
(4-Chloro-N-cyclopropyl-3-(8-(2,4-difluorophenyl)-1...)
Show SMILES Cn1c2c(nncc2cc(-c2cc(ccc2Cl)C(=O)NC2CC2)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C24H17ClF2N4O2/c1-31-22-13(11-28-30-21(22)16-6-3-14(26)10-20(16)27)9-18(24(31)33)17-8-12(2-7-19(17)25)23(32)29-15-4-5-15/h2-3,6-11,15H,4-5H2,1H3,(H,29,32)
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n/an/a 2.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326914
PNG
(3-(8-(2,4-Difluorophenyl)-1-methyl-2-oxo-1,2-dihyd...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
Show InChI InChI=1S/C23H18F2N4O2/c1-12-4-5-13(22(30)26-2)8-17(12)18-9-14-11-27-28-20(21(14)29(3)23(18)31)16-7-6-15(24)10-19(16)25/h4-11H,1-3H3,(H,26,30)
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n/an/a 2.70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326920
PNG
(CHEMBL1254647 | N-Cyclopropyl-4-methyl-3-(1-methyl...)
Show SMILES Cc1ccccc1-c1nncc2cc(-c3cc(ncc3C)C(=O)NC3CC3)c(=O)n(C)c12
Show InChI InChI=1S/C25H23N5O2/c1-14-6-4-5-7-18(14)22-23-16(13-27-29-22)10-20(25(32)30(23)3)19-11-21(26-12-15(19)2)24(31)28-17-8-9-17/h4-7,10-13,17H,8-9H2,1-3H3,(H,28,31)
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n/an/a 2.70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326915
PNG
(CHEMBL1254989 | N-Cyclopropyl-3-(8-(2,4-difluoroph...)
Show SMILES Cc1ccc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C25H20F2N4O2/c1-13-3-4-14(24(32)29-17-6-7-17)9-19(13)20-10-15-12-28-30-22(23(15)31(2)25(20)33)18-8-5-16(26)11-21(18)27/h3-5,8-12,17H,6-7H2,1-2H3,(H,29,32)
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n/an/a 2.70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326913
PNG
(3-(8-(2,4-Difluorophenyl)-1-methyl-2-oxo-1,2-dihyd...)
Show SMILES Cc1ccc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(N)=O
Show InChI InChI=1S/C22H16F2N4O2/c1-11-3-4-12(21(25)29)7-16(11)17-8-13-10-26-27-19(20(13)28(2)22(17)30)15-6-5-14(23)9-18(15)24/h3-10H,1-2H3,(H2,25,29)
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n/an/a 2.70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326924
PNG
(CHEMBL1254814 | N-Cyclopropyl-3-(8-(2-fluoro-4-(tr...)
Show SMILES Cc1cnc(cc1-c1cc2cnnc(-c3ccc(cc3F)C(F)(F)F)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C25H19F4N5O2/c1-12-10-30-20(23(35)32-15-4-5-15)9-17(12)18-7-13-11-31-33-21(22(13)34(2)24(18)36)16-6-3-14(8-19(16)26)25(27,28)29/h3,6-11,15H,4-5H2,1-2H3,(H,32,35)
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n/an/a 2.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326916
PNG
(3-(8-(2,4-Difluorophenyl)-1-methyl-2-oxo-1,2-dihyd...)
Show SMILES Cc1ccc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1(C)CC1
Show InChI InChI=1S/C26H22F2N4O2/c1-14-4-5-15(24(33)30-26(2)8-9-26)10-19(14)20-11-16-13-29-31-22(23(16)32(3)25(20)34)18-7-6-17(27)12-21(18)28/h4-7,10-13H,8-9H2,1-3H3,(H,30,33)
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n/an/a 3.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326923
PNG
(CHEMBL1254732 | N-Cyclopropyl-3-(8-(4-fluoro-2-met...)
Show SMILES Cc1cnc(cc1-c1cc2cnnc(-c3ccc(F)cc3C)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C25H22FN5O2/c1-13-8-16(26)4-7-18(13)22-23-15(12-28-30-22)9-20(25(33)31(23)3)19-10-21(27-11-14(19)2)24(32)29-17-5-6-17/h4,7-12,17H,5-6H2,1-3H3,(H,29,32)
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n/an/a 3.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326922
PNG
(CHEMBL1254731 | N-Cyclopropyl-4-methyl-3-(1-methyl...)
Show SMILES Cc1cnc(cc1-c1cc2cnnc(-c3ccccc3C(F)(F)F)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C25H20F3N5O2/c1-13-11-29-20(23(34)31-15-7-8-15)10-17(13)18-9-14-12-30-32-21(22(14)33(2)24(18)35)16-5-3-4-6-19(16)25(26,27)28/h3-6,9-12,15H,7-8H2,1-2H3,(H,31,34)
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n/an/a 3.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326911
PNG
(3-(2,4-Difluorobenzyl)-8-(2,4-difluorophenyl)-1-me...)
Show SMILES Cn1c2c(nncc2cc(Cc2ccc(F)cc2F)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C21H13F4N3O/c1-28-20-13(10-26-27-19(20)16-5-4-15(23)9-18(16)25)7-12(21(28)29)6-11-2-3-14(22)8-17(11)24/h2-5,7-10H,6H2,1H3
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n/an/a 6.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326909
PNG
(3-(2,4-Difluorophenoxy)-8-(2,4-difluorophenyl)-1-m...)
Show SMILES Cn1c2c(nncc2cc(Oc2ccc(F)cc2F)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H11F4N3O2/c1-27-19-10(9-25-26-18(19)13-4-2-11(21)7-14(13)23)6-17(20(27)28)29-16-5-3-12(22)8-15(16)24/h2-9H,1H3
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n/an/a 8.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326919
PNG
(CHEMBL1254572 | N-Cyclopropyl-4-(8-(2,4-difluoroph...)
Show SMILES Cc1cnc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C24H19F2N5O2/c1-12-10-27-20(23(32)29-15-4-5-15)9-17(12)18-7-13-11-28-30-21(22(13)31(2)24(18)33)16-6-3-14(25)8-19(16)26/h3,6-11,15H,4-5H2,1-2H3,(H,29,32)
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n/an/a 14.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326910
PNG
(3-(4-Fluorobenzyl)-8-(2,4-difluorophenyl)-1-methyl...)
Show SMILES Cn1c2c(nncc2cc(Cc2ccc(F)cc2)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C21H14F3N3O/c1-27-20-14(9-13(21(27)28)8-12-2-4-15(22)5-3-12)11-25-26-19(20)17-7-6-16(23)10-18(17)24/h2-7,9-11H,8H2,1H3
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n/an/a 55.8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326908
PNG
(8-(2,4-Difluorophenyl)-3-(4-fluorophenoxy)-1-methy...)
Show SMILES Cn1c2c(nncc2cc(Oc2ccc(F)cc2)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H12F3N3O2/c1-26-19-11(8-17(20(26)27)28-14-5-2-12(21)3-6-14)10-24-25-18(19)15-7-4-13(22)9-16(15)23/h2-10H,1H3
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n/an/a 78n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326906
PNG
(8-(2,4-Difluorophenyl)-3-(3,5-difluoropyridin-2-yl...)
Show SMILES Cn1c2c(nncc2cc(Nc2ncc(F)cc2F)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C19H11F4N5O/c1-28-17-9(7-25-27-16(17)12-3-2-10(20)5-13(12)22)4-15(19(28)29)26-18-14(23)6-11(21)8-24-18/h2-8H,1H3,(H,24,26)
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n/an/a 111n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326907
PNG
(8-(2,4-Difluorophenyl)-3-((4-fluorophenyl)(methyl)...)
Show SMILES CN(c1ccc(F)cc1)c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
Show InChI InChI=1S/C21H15F3N4O/c1-27(15-6-3-13(22)4-7-15)18-9-12-11-25-26-19(20(12)28(2)21(18)29)16-8-5-14(23)10-17(16)24/h3-11H,1-2H3
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n/an/a 299n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326905
PNG
(8-(2,4-Difluorophenyl)-3-(5-fluoropyridin-2-ylamin...)
Show SMILES Cn1c2c(nncc2cc(Nc2ccc(F)cn2)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C19H12F3N5O/c1-27-18-10(6-15(19(27)28)25-16-5-3-12(21)9-23-16)8-24-26-17(18)13-4-2-11(20)7-14(13)22/h2-9H,1H3,(H,23,25)
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n/an/a 328n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50326912
PNG
(3-(8-(2,4-Difluorophenyl)-1-methyl-2-oxo-1,2-dihyd...)
Show SMILES Cc1ccc(cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O)C(O)=O
Show InChI InChI=1S/C22H15F2N3O3/c1-11-3-4-12(22(29)30)7-16(11)17-8-13-10-25-26-19(20(13)27(2)21(17)28)15-6-5-14(23)9-18(15)24/h3-10H,1-2H3,(H,29,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 53: 6398-411 (2010)


Article DOI: 10.1021/jm100567y
BindingDB Entry DOI: 10.7270/Q26973SS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%