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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'hepperle' and Initial = 'me'   
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))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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Article
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n/an/a 5.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315107
PNG
(4-(3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES NS(=O)(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN5O2S/c20-16-3-1-14(2-4-16)18-17(13-5-9-22-10-6-13)19(24-23-18)15-7-11-25(12-8-15)28(21,26)27/h1-6,9-10,15H,7-8,11-12H2,(H,23,24)(H2,21,26,27)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50318049
PNG
(3-(5-bromo-4-(2,4-difluorobenzyloxy)-6-oxopyridazi...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1ncc(OCc2ccc(F)cc2F)c(Br)c1=O
Show InChI InChI=1S/C20H16BrF2N3O3/c1-11-3-4-12(19(27)24-2)7-16(11)26-20(28)18(21)17(9-25-26)29-10-13-5-6-14(22)8-15(13)23/h3-9H,10H2,1-2H3,(H,24,27)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315120
PNG
((1S,2S)-2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl...)
Show SMILES O[C@H]1CCC[C@@H]1N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H26ClN5O/c24-17-6-4-15(5-7-17)22-21(18-8-11-25-14-26-18)23(28-27-22)16-9-12-29(13-10-16)19-2-1-3-20(19)30/h4-8,11,14,16,19-20,30H,1-3,9-10,12-13H2,(H,27,28)/t19-,20-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315129
PNG
(4-(3-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazo...)
Show SMILES Fc1ccc(cc1)-c1n[nH]c(C2CCNCC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-17(13-5-9-21-10-6-13)19(24-23-18)15-7-11-22-12-8-15/h1-6,9-10,15,22H,7-8,11-12H2,(H,23,24)
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n/an/a 25.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315134
PNG
(4-(5-(1-methylpiperidin-4-yl)-3-(3-(trifluoromethy...)
Show SMILES CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4/c1-28-11-7-15(8-12-28)19-18(14-5-9-25-10-6-14)20(27-26-19)16-3-2-4-17(13-16)21(22,23)24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,26,27)
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n/an/a 26.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315118
PNG
(4-(3-(4-chlorophenyl)-5-(1-(tetrahydrofuran-3-yl)p...)
Show SMILES Clc1ccc(cc1)-c1n[nH]c(C2CCN(CC2)C2CCOC2)c1-c1ccncn1
Show InChI InChI=1S/C22H24ClN5O/c23-17-3-1-15(2-4-17)21-20(19-5-9-24-14-25-19)22(27-26-21)16-6-10-28(11-7-16)18-8-12-29-13-18/h1-5,9,14,16,18H,6-8,10-13H2,(H,26,27)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315131
PNG
(4-(3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1...)
Show SMILES CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4/c1-25-12-8-16(9-13-25)20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-17(21)5-3-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,24)
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n/an/a 31.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315115
PNG
(2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyr...)
Show SMILES OCCN1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN5O/c21-16-3-1-14(2-4-16)19-18(17-5-8-22-13-23-17)20(25-24-19)15-6-9-26(10-7-15)11-12-27/h1-5,8,13,15,27H,6-7,9-12H2,(H,24,25)
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n/an/a 35n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315132
PNG
(4-(3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1...)
Show SMILES CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H21ClN4/c1-25-11-7-15(8-12-25)19-18(14-5-9-22-10-6-14)20(24-23-19)16-3-2-4-17(21)13-16/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,23,24)
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n/an/a 39.2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315133
PNG
(4-(5-(1-methylpiperidin-4-yl)-3-(4-(trifluoromethy...)
Show SMILES CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4/c1-28-12-8-16(9-13-28)20-18(14-6-10-25-11-7-14)19(26-27-20)15-2-4-17(5-3-15)21(22,23)24/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,26,27)
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n/an/a 40.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315104
PNG
(2-(4-(3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyraz...)
Show SMILES OCCN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN4O/c22-18-3-1-16(2-4-18)20-19(15-5-9-23-10-6-15)21(25-24-20)17-7-11-26(12-8-17)13-14-27/h1-6,9-10,17,27H,7-8,11-14H2,(H,24,25)
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n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315121
PNG
(4-(3-(4-chlorophenyl)-5-(1-(pyridin-4-ylmethyl)pip...)
Show SMILES Clc1ccc(cc1)-c1n[nH]c(C2CCN(Cc3ccncc3)CC2)c1-c1ccncn1
Show InChI InChI=1S/C24H23ClN6/c25-20-3-1-18(2-4-20)23-22(21-7-12-27-16-28-21)24(30-29-23)19-8-13-31(14-9-19)15-17-5-10-26-11-6-17/h1-7,10-12,16,19H,8-9,13-15H2,(H,29,30)
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n/an/a 47n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315114
PNG
(4-(3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1...)
Show SMILES CN1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN5/c1-25-10-7-14(8-11-25)19-17(16-6-9-21-12-22-16)18(23-24-19)13-2-4-15(20)5-3-13/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,23,24)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315127
PNG
(4-(3-(4-fluorophenyl)-5-(piperidin-3-yl)-1H-pyrazo...)
Show SMILES Fc1ccc(cc1)-c1n[nH]c(C2CCCNC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-5-3-14(4-6-16)18-17(13-7-10-21-11-8-13)19(24-23-18)15-2-1-9-22-12-15/h3-8,10-11,15,22H,1-2,9,12H2,(H,23,24)
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n/an/a 48.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315130
PNG
(4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1...)
Show SMILES CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4/c1-25-12-8-16(9-13-25)20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-17(21)5-3-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,24)
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n/an/a 54.7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50310984
PNG
(3-bromo-4-(2,4-difluorobenzyloxy)-1-(4-((dimethyla...)
Show SMILES CN(C)Cc1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cc1
Show InChI InChI=1S/C23H23BrF2N2O2/c1-15-10-21(30-14-18-8-9-19(25)11-20(18)26)22(24)23(29)28(15)13-17-6-4-16(5-7-17)12-27(2)3/h4-11H,12-14H2,1-3H3
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n/an/a 59n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315103
PNG
(4-(5-(1-methylpiperidin-4-yl)-3-m-tolyl-1H-pyrazol...)
Show SMILES CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(C)c1
Show InChI InChI=1S/C21H24N4/c1-15-4-3-5-18(14-15)21-19(16-6-10-22-11-7-16)20(23-24-21)17-8-12-25(2)13-9-17/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,23,24)
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n/an/a 67.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315110
PNG
(1-(4-(3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyraz...)
Show SMILES CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4O/c1-14(27)26-12-8-17(9-13-26)21-19(15-6-10-23-11-7-15)20(24-25-21)16-2-4-18(22)5-3-16/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,24,25)
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n/an/a 68n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315105
PNG
(4-(3-(4-chlorophenyl)-5-(1-(2-methoxyethyl)piperid...)
Show SMILES COCCN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN4O/c1-28-15-14-27-12-8-18(9-13-27)22-20(16-6-10-24-11-7-16)21(25-26-22)17-2-4-19(23)5-3-17/h2-7,10-11,18H,8-9,12-15H2,1H3,(H,25,26)
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n/an/a 70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315108
PNG
(4-(3-(4-chlorophenyl)-5-(1-(methylsulfonyl)piperid...)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2S/c1-28(26,27)25-12-8-16(9-13-25)20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-17(21)5-3-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,24)
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n/an/a 70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315112
PNG
(1-(4-(3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyraz...)
Show SMILES COCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN4O2/c1-29-14-19(28)27-12-8-17(9-13-27)22-20(15-6-10-24-11-7-15)21(25-26-22)16-2-4-18(23)5-3-16/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,25,26)
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n/an/a 71n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315113
PNG
(1-(4-(3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyraz...)
Show SMILES CN(C)CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClN5O/c1-28(2)15-20(30)29-13-9-18(10-14-29)23-21(16-7-11-25-12-8-16)22(26-27-23)17-3-5-19(24)6-4-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3,(H,26,27)
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n/an/a 80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315102
PNG
(1-(4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyraz...)
Show SMILES CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O/c1-14(27)26-12-8-17(9-13-26)21-19(15-6-10-23-11-7-15)20(24-25-21)16-2-4-18(22)5-3-16/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,24,25)
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n/an/a 82n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315125
PNG
(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazo...)
Show SMILES CN(C)C(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN6O/c1-27(2)21(29)28-11-8-15(9-12-28)20-18(17-7-10-23-13-24-17)19(25-26-20)14-3-5-16(22)6-4-14/h3-7,10,13,15H,8-9,11-12H2,1-2H3,(H,25,26)
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n/an/a 88n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315117
PNG
(1-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyr...)
Show SMILES CC(C)(O)CN1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN5O/c1-22(2,29)13-28-11-8-16(9-12-28)21-19(18-7-10-24-14-25-18)20(26-27-21)15-3-5-17(23)6-4-15/h3-7,10,14,16,29H,8-9,11-13H2,1-2H3,(H,26,27)
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n/an/a 88n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315128
PNG
(4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1...)
Show SMILES CN1CCCC(C1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4/c1-25-12-2-3-16(13-25)20-18(14-8-10-22-11-9-14)19(23-24-20)15-4-6-17(21)7-5-15/h4-11,16H,2-3,12-13H2,1H3,(H,23,24)
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n/an/a 90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315124
PNG
(1-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyr...)
Show SMILES COCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN5O2/c1-29-12-18(28)27-10-7-15(8-11-27)21-19(17-6-9-23-13-24-17)20(25-26-21)14-2-4-16(22)5-3-14/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,25,26)
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n/an/a 94n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315135
PNG
(4-(5-(1-methylpiperidin-4-yl)-3-p-tolyl-1H-pyrazol...)
Show SMILES CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(C)cc1
Show InChI InChI=1S/C21H24N4/c1-15-3-5-17(6-4-15)20-19(16-7-11-22-12-8-16)21(24-23-20)18-9-13-25(2)14-10-18/h3-8,11-12,18H,9-10,13-14H2,1-2H3,(H,23,24)
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n/an/a 99.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50318048
PNG
(CHEMBL1099099 | methyl 3-(5-bromo-4-(2,4-difluorob...)
Show SMILES COC(=O)c1ccc(C)c(c1)-n1ncc(OCc2ccc(F)cc2F)c(Br)c1=O
Show InChI InChI=1S/C20H15BrF2N2O4/c1-11-3-4-12(20(27)28-2)7-16(11)25-19(26)18(21)17(9-24-25)29-10-13-5-6-14(22)8-15(13)23/h3-9H,10H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315106
PNG
(4-(3-(4-chlorophenyl)-5-(1-(3-methoxypropyl)piperi...)
Show SMILES COCCCN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClN4O/c1-29-16-2-13-28-14-9-19(10-15-28)23-21(17-7-11-25-12-8-17)22(26-27-23)18-3-5-20(24)6-4-18/h3-8,11-12,19H,2,9-10,13-16H2,1H3,(H,26,27)
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n/an/a 106n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315123
PNG
(1-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyr...)
Show SMILES OCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315111
PNG
(1-(4-(3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyraz...)
Show SMILES OCC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4O2/c22-17-3-1-15(2-4-17)20-19(14-5-9-23-10-6-14)21(25-24-20)16-7-11-26(12-8-16)18(28)13-27/h1-6,9-10,16,27H,7-8,11-13H2,(H,24,25)
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n/an/a 111n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315109
PNG
(2-(4-(3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyraz...)
Show SMILES OC(=O)CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4O2/c22-17-3-1-15(2-4-17)20-19(14-5-9-23-10-6-14)21(25-24-20)16-7-11-26(12-8-16)13-18(27)28/h1-6,9-10,16H,7-8,11-13H2,(H,24,25)(H,27,28)
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n/an/a 126n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315122
PNG
(1-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyr...)
Show SMILES CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN5O/c1-13(27)26-10-7-15(8-11-26)20-18(17-6-9-22-12-23-17)19(24-25-20)14-2-4-16(21)5-3-14/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,24,25)
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n/an/a 152n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50318041
PNG
(4-bromo-2-(2,6-dichlorophenyl)-5-(2,4-difluorobenz...)
Show SMILES Fc1ccc(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)c(F)c1 |(-10.18,-31.86,;-8.85,-32.63,;-7.51,-31.86,;-6.18,-32.63,;-6.19,-34.17,;-4.86,-34.94,;-3.52,-34.17,;-2.19,-34.94,;-.86,-34.17,;.48,-34.93,;.48,-36.48,;1.81,-37.25,;3.14,-36.47,;3.13,-34.93,;4.47,-37.24,;4.48,-38.78,;3.14,-39.56,;1.81,-38.79,;.48,-39.56,;-.86,-37.25,;-.86,-38.79,;-2.19,-36.48,;-3.52,-37.25,;-7.51,-34.94,;-7.51,-36.48,;-8.84,-34.17,)|
Show InChI InChI=1S/C17H9BrCl2F2N2O2/c18-15-14(26-8-9-4-5-10(21)6-13(9)22)7-23-24(17(15)25)16-11(19)2-1-3-12(16)20/h1-7H,8H2
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n/an/a 160n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50315134
PNG
(4-(5-(1-methylpiperidin-4-yl)-3-(3-(trifluoromethy...)
Show SMILES CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4/c1-28-11-7-15(8-12-28)19-18(14-5-9-25-10-6-14)20(27-26-19)16-3-2-4-17(13-16)21(22,23)24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,26,27)
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n/an/a 164n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38beta assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315116
PNG
(2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyr...)
Show SMILES CC(C)(CO)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN5O/c1-22(2,13-29)28-11-8-16(9-12-28)21-19(18-7-10-24-14-25-18)20(26-27-21)15-3-5-17(23)6-4-15/h3-7,10,14,16,29H,8-9,11-13H2,1-2H3,(H,26,27)
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n/an/a 184n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315126
PNG
(4-(3-(4-chlorophenyl)-5-(1-(methylsulfonyl)piperid...)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN5O2S/c1-28(26,27)25-10-7-14(8-11-25)19-17(16-6-9-21-12-22-16)18(23-24-19)13-2-4-15(20)5-3-13/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,23,24)
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n/an/a 198n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315119
PNG
(4-(3-(4-chlorophenyl)-5-(1-(tetrahydro-2H-pyran-4-...)
Show SMILES Clc1ccc(cc1)-c1n[nH]c(C2CCN(CC2)C2CCOCC2)c1-c1ccncn1
Show InChI InChI=1S/C23H26ClN5O/c24-18-3-1-16(2-4-18)22-21(20-5-10-25-15-26-20)23(28-27-22)17-6-11-29(12-7-17)19-8-13-30-14-9-19/h1-5,10,15,17,19H,6-9,11-14H2,(H,27,28)
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n/an/a 205n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50318046
PNG
(4-bromo-2-(3,5-dichloropyridin-4-yl)-5-(2,4-difluo...)
Show SMILES Fc1ccc(COc2cnn(-c3c(Cl)cncc3Cl)c(=O)c2Br)c(F)c1 |(22.4,-41.65,;23.74,-42.42,;25.07,-41.65,;26.41,-42.42,;26.4,-43.96,;27.73,-44.73,;29.07,-43.96,;30.4,-44.73,;31.73,-43.96,;33.06,-44.72,;33.07,-46.27,;34.4,-47.04,;35.72,-46.27,;35.72,-44.73,;37.06,-47.03,;37.07,-48.58,;35.73,-49.35,;34.4,-48.58,;33.07,-49.35,;31.73,-47.05,;31.73,-48.59,;30.4,-46.27,;29.06,-47.04,;25.08,-44.73,;25.08,-46.27,;23.74,-43.97,)|
Show InChI InChI=1S/C16H8BrCl2F2N3O2/c17-14-13(26-7-8-1-2-9(20)3-12(8)21)6-23-24(16(14)25)15-10(18)4-22-5-11(15)19/h1-6H,7H2
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n/an/a 250n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50315127
PNG
(4-(3-(4-fluorophenyl)-5-(piperidin-3-yl)-1H-pyrazo...)
Show SMILES Fc1ccc(cc1)-c1n[nH]c(C2CCCNC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-5-3-14(4-6-16)18-17(13-7-10-21-11-8-13)19(24-23-18)15-2-1-9-22-12-15/h3-8,10-11,15,22H,1-2,9,12H2,(H,23,24)
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n/an/a 404n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38beta assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50318044
PNG
(4-bromo-2-(2,6-dichlorophenyl)-5-(2,3,4-trifluorob...)
Show SMILES Fc1ccc(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)c(F)c1F |(-10.45,-42.22,;-9.12,-42.99,;-7.78,-42.22,;-6.45,-42.99,;-6.45,-44.53,;-5.12,-45.3,;-3.79,-44.53,;-2.45,-45.3,;-1.12,-44.53,;.21,-45.29,;.22,-46.84,;1.55,-47.61,;2.87,-46.84,;2.86,-45.3,;4.21,-47.6,;4.21,-49.15,;2.88,-49.92,;1.55,-49.15,;.21,-49.92,;-1.12,-47.61,;-1.12,-49.15,;-2.45,-46.84,;-3.79,-47.61,;-7.78,-45.3,;-7.77,-46.84,;-9.11,-44.54,;-10.44,-45.31,)|
Show InChI InChI=1S/C17H8BrCl2F3N2O2/c18-13-12(27-7-8-4-5-11(21)15(23)14(8)22)6-24-25(17(13)26)16-9(19)2-1-3-10(16)20/h1-6H,7H2
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n/an/a 470n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50315129
PNG
(4-(3-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazo...)
Show SMILES Fc1ccc(cc1)-c1n[nH]c(C2CCNCC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-17(13-5-9-21-10-6-13)19(24-23-18)15-7-11-22-12-8-15/h1-6,9-10,15,22H,7-8,11-12H2,(H,23,24)
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n/an/a 510n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38beta assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50318042
PNG
(4-bromo-2-(2,6-dichlorophenyl)-5-(2,4,6-trifluorob...)
Show SMILES Fc1cc(F)c(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)c(F)c1 |(6.2,-32.89,;7.54,-33.66,;7.54,-35.2,;8.88,-35.97,;8.88,-37.51,;10.2,-35.2,;11.53,-35.97,;12.87,-35.19,;14.2,-35.96,;15.53,-35.19,;16.86,-35.96,;16.87,-37.51,;18.2,-38.27,;19.52,-37.5,;19.52,-35.96,;20.86,-38.26,;20.86,-39.81,;19.53,-40.58,;18.2,-39.82,;16.86,-40.59,;15.53,-38.28,;15.53,-39.82,;14.2,-37.51,;12.86,-38.28,;10.2,-33.65,;11.54,-32.89,;8.87,-32.88,)|
Show InChI InChI=1S/C17H8BrCl2F3N2O2/c18-15-14(27-7-9-12(22)4-8(21)5-13(9)23)6-24-25(17(15)26)16-10(19)2-1-3-11(16)20/h1-6H,7H2
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n/an/a 540n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50318047
PNG
(4-bromo-5-(2,4-difluorobenzyloxy)-2-(2,6-difluorop...)
Show SMILES Fc1ccc(COc2cnn(-c3c(F)cccc3F)c(=O)c2Br)c(F)c1 |(-9.8,6.09,;-8.47,5.32,;-7.13,6.09,;-5.8,5.32,;-5.81,3.78,;-4.47,3.01,;-3.14,3.78,;-1.81,3.01,;-.48,3.78,;.86,3.02,;.86,1.47,;2.19,.7,;3.52,1.47,;3.51,3.01,;4.85,.71,;4.86,-.84,;3.52,-1.61,;2.19,-.84,;.86,-1.61,;-.47,.69,;-.48,-.85,;-1.81,1.47,;-3.14,.7,;-7.13,3.01,;-7.12,1.47,;-8.46,3.77,)|
Show InChI InChI=1S/C17H9BrF4N2O2/c18-15-14(26-8-9-4-5-10(19)6-13(9)22)7-23-24(17(15)25)16-11(20)2-1-3-12(16)21/h1-7H,8H2
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n/an/a 590n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50318050
PNG
(1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one | ...)
Show SMILES Brc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
Show InChI InChI=1S/C19H16BrNO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2
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n/an/a 680n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315102
PNG
(1-(4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyraz...)
Show SMILES CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O/c1-14(27)26-12-8-17(9-13-26)21-19(15-6-10-23-11-7-15)20(24-25-21)16-2-4-18(22)5-3-16/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,24,25)
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n/an/a 790n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp technique


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50318045
PNG
(4-bromo-5-(4-chloro-2-fluorobenzyloxy)-2-(2,6-dich...)
Show SMILES Fc1cc(Cl)ccc1COc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br |(10.55,-47.08,;10.55,-45.54,;9.21,-44.78,;9.21,-43.23,;7.87,-42.46,;10.54,-42.46,;11.88,-43.23,;11.87,-44.77,;13.2,-45.54,;14.54,-44.77,;15.87,-45.54,;17.2,-44.77,;18.54,-45.53,;18.54,-47.08,;19.87,-47.85,;21.2,-47.08,;21.19,-45.54,;22.53,-47.84,;22.54,-49.39,;21.2,-50.16,;19.87,-49.39,;18.54,-50.16,;17.2,-47.85,;17.2,-49.39,;15.87,-47.08,;14.54,-47.85,)|
Show InChI InChI=1S/C17H9BrCl3FN2O2/c18-15-14(26-8-9-4-5-10(19)6-13(9)22)7-23-24(17(15)25)16-11(20)2-1-3-12(16)21/h1-7H,8H2
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n/an/a 1.01E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 3146-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.088
BindingDB Entry DOI: 10.7270/Q20Z73F0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50315132
PNG
(4-(3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1...)
Show SMILES CN1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H21ClN4/c1-25-11-7-15(8-12-25)19-18(14-5-9-22-10-6-14)20(24-23-19)16-3-2-4-17(21)13-16/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,23,24)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38beta assessed as gamma-[33P]ATP incorporation by scintillation counting


Bioorg Med Chem Lett 20: 2634-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.047
BindingDB Entry DOI: 10.7270/Q21N818H
More data for this
Ligand-Target Pair
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