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PubMed code 19253982

Compile data set for download or QSAR
Found 19 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))
BDBM50241111
PNG
(3-(2-Amino-4-fluoro-phenylamino)-6H-dibenzo[b,e]ox...)
Show SMILES Nc1cc(F)ccc1Nc1ccc2c(OCc3ccccc3C2=O)c1
Show InChI InChI=1S/C20H15FN2O2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11,22H2
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n/an/a 40n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 50n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241112
PNG
(2-(2-Amino-phenylamino)-10,11-dihydro-dibenzo[a,d]...)
Show SMILES Nc1ccccc1Nc1ccc2c(CCc3ccccc3C2=O)c1
Show InChI InChI=1S/C21H18N2O/c22-19-7-3-4-8-20(19)23-16-11-12-18-15(13-16)10-9-14-5-1-2-6-17(14)21(18)24/h1-8,11-13,23H,9-10,22H2
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n/an/a 100n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248859
PNG
(2-(2,4-Difluoro-phenylamino)-10,11-dihydro-dibenzo...)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccccc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C21H15F2NO/c22-15-7-10-20(19(23)12-15)24-16-8-9-18-14(11-16)6-5-13-3-1-2-4-17(13)21(18)25/h1-4,7-12,24H,5-6H2
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n/an/a 130n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248858
PNG
(2-(2-Amino-4-fluoro-phenylamino)-10,11-dihydro-dib...)
Show SMILES Nc1cc(F)ccc1Nc1ccc2c(CCc3ccccc3C2=O)c1
Show InChI InChI=1S/C21H17FN2O/c22-15-7-10-20(19(23)12-15)24-16-8-9-18-14(11-16)6-5-13-3-1-2-4-17(13)21(18)25/h1-4,7-12,24H,5-6,23H2
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n/an/a 130n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248941
PNG
(8-(2,4-Difluoro-phenylamino)-11H-10-oxa-1-aza-dibe...)
Show SMILES Fc1ccc(Nc2ccc3c(OCc4ncccc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C19H12F2N2O2/c20-11-3-6-16(15(21)8-11)23-12-4-5-14-18(9-12)25-10-17-13(19(14)24)2-1-7-22-17/h1-9,23H,10H2
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n/an/a 180n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248913
PNG
(8-(2,4-Difluoro-phenylamino)-10,11-dihydro-benzo[4...)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ncccc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C20H14F2N2O/c21-13-4-8-19(17(22)11-13)24-14-5-6-15-12(10-14)3-7-18-16(20(15)25)2-1-9-23-18/h1-2,4-6,8-11,24H,3,7H2
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n/an/a 240n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241114
PNG
(3-(2,4-Difluoro-phenylamino)-6H-dibenzo[b,e]oxepin...)
Show SMILES Fc1ccc(Nc2ccc3c(OCc4ccccc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C20H13F2NO2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11H2
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n/an/a 240n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241115
PNG
(3-(2-Amino-phenylamino)-6H-dibenzo[b,e]oxepin-11-o...)
Show SMILES Nc1ccccc1Nc1ccc2c(OCc3ccccc3C2=O)c1
Show InChI InChI=1S/C20H16N2O2/c21-17-7-3-4-8-18(17)22-14-9-10-16-19(11-14)24-12-13-5-1-2-6-15(13)20(16)23/h1-11,22H,12,21H2
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n/an/a 300n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248890
PNG
(8-(2-Amino-phenylamino)-10,11-dihydro-benzo[4,5]cy...)
Show SMILES Nc1ccccc1Nc1ccc2c(CCc3ncccc3C2=O)c1
Show InChI InChI=1S/C20H17N3O/c21-17-5-1-2-6-19(17)23-14-8-9-15-13(12-14)7-10-18-16(20(15)24)4-3-11-22-18/h1-6,8-9,11-12,23H,7,10,21H2
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n/an/a 310n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248889
PNG
(8-(2,4-Difluoro-phenylamino)-benzo[4,5]cyclohepta[...)
Show SMILES Fc1ccc(Nc2ccc3c(c2)ccc2ncccc2c3=O)c(F)c1
Show InChI InChI=1S/C20H12F2N2O/c21-13-4-8-19(17(22)11-13)24-14-5-6-15-12(10-14)3-7-18-16(20(15)25)2-1-9-23-18/h1-11,24H
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n/an/a 330n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248915
PNG
(8-(2-Amino-phenylamino)-5,6-dihydro-benzo[5,6]cycl...)
Show SMILES Nc1ccccc1Nc1ccc2c(CCc3cccnc3C2=O)c1
Show InChI InChI=1S/C20H17N3O/c21-17-5-1-2-6-18(17)23-15-9-10-16-14(12-15)8-7-13-4-3-11-22-19(13)20(16)24/h1-6,9-12,23H,7-8,21H2
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n/an/a 440n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241113
PNG
(2-(2-amino-phenylamino)-dibenzo[a,d]cyclohepten-5-...)
Show SMILES Nc1ccccc1Nc1ccc2c(c1)ccc1ccccc1c2=O
Show InChI InChI=1S/C21H16N2O/c22-19-7-3-4-8-20(19)23-16-11-12-18-15(13-16)10-9-14-5-1-2-6-17(14)21(18)24/h1-13,23H,22H2
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n/an/a 1.06E+3n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248888
PNG
(8-(2-Amino-phenylamino)-benzo[4,5]cyclohepta[1,2-b...)
Show SMILES Nc1ccccc1Nc1ccc2c(c1)ccc1ncccc1c2=O
Show InChI InChI=1S/C20H15N3O/c21-17-5-1-2-6-19(17)23-14-8-9-15-13(12-14)7-10-18-16(20(15)24)4-3-11-22-18/h1-12,23H,21H2
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n/an/a 1.08E+3n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248891
PNG
(8-(2-Amino-4-fluoro-phenylamino)-10,11-dihydro-ben...)
Show SMILES Nc1cc(F)ccc1Nc1ccc2c(CCc3ncccc3C2=O)c1
Show InChI InChI=1S/C20H16FN3O/c21-13-4-8-19(17(22)11-13)24-14-5-6-15-12(10-14)3-7-18-16(20(15)25)2-1-9-23-18/h1-2,4-6,8-11,24H,3,7,22H2
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n/an/a 1.19E+3n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248914
PNG
(8-(2-Amino-phenylamino)-benzo[5,6]cyclohepta[1,2-c...)
Show SMILES Nc1ccccc1Nc1ccc2c(c1)ccc1ccncc1c2=O
Show InChI InChI=1S/C20H15N3O/c21-18-3-1-2-4-19(18)23-15-7-8-16-14(11-15)6-5-13-9-10-22-12-17(13)20(16)24/h1-12,23H,21H2
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n/an/a 1.95E+3n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248887
PNG
(2-(2,4-Difluoro-phenylamino)-dibenzo[a,d]cyclohept...)
Show SMILES Fc1ccc(Nc2ccc3c(c2)ccc2ccccc2c3=O)c(F)c1
Show InChI InChI=1S/C21H13F2NO/c22-15-7-10-20(19(23)12-15)24-16-8-9-18-14(11-16)6-5-13-3-1-2-4-17(13)21(18)25/h1-12,24H
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n/an/a 2.53E+3n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248939
PNG
(8-(2-Amino-phenylamino)-11H-10-oxa-1-aza-dibenzo[a...)
Show SMILES Nc1ccccc1Nc1ccc2c(OCc3ncccc3C2=O)c1
Show InChI InChI=1S/C19H15N3O2/c20-15-5-1-2-6-16(15)22-12-7-8-14-18(10-12)24-11-17-13(19(14)23)4-3-9-21-17/h1-10,22H,11,20H2
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n/an/a 2.68E+3n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50248940
PNG
(8-(2-Amino-4-fluoro-phenylamino)-11H-10-oxa-1-aza-...)
Show SMILES Nc1cc(F)ccc1Nc1ccc2c(OCc3ncccc3C2=O)c1
Show InChI InChI=1S/C19H14FN3O2/c20-11-3-6-16(15(21)8-11)23-12-4-5-14-18(9-12)25-10-17-13(19(14)24)2-1-7-22-17/h1-9,23H,10,21H2
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n/an/a 2.73E+3n/an/an/an/an/an/a



Eberhard-Karls-Universität

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) by cell-free enzyme immunosorbent assay


J Med Chem 52: 1778-82 (2009)


Article DOI: 10.1021/jm801291f
BindingDB Entry DOI: 10.7270/Q21836C7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%