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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'schinzel' and Initial = 'k'   
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))
BDBM50315949
PNG
((S)-N-(4-aminobutyl)-N-(2-(1-phenylethylamino)pyri...)
Show SMILES C[C@H](Nc1nccc(n1)N(CCCCN)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N5O2/c1-18(19-7-3-2-4-8-19)28-25-27-14-11-23(29-25)30(15-6-5-13-26)24(31)21-9-10-22-20(17-21)12-16-32-22/h2-4,7-11,14,17-18H,5-6,12-13,15-16,26H2,1H3,(H,27,28,29)/t18-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50309525
PNG
(2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-m...)
Show SMILES COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C26H28FN3O4/c1-29(2)26(33)24(31)21-15-28-22-14-23(34-3)20(13-19(21)22)25(32)30-10-8-17(9-11-30)12-16-4-6-18(27)7-5-16/h4-7,13-15,17,28H,8-12H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2556-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.088
BindingDB Entry DOI: 10.7270/Q2VT1S84
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315959
PNG
(CHEMBL1091614 | N-(4-aminobutyl)-N-(2-(4-hydroxycy...)
Show SMILES NCCCCN(C(=O)c1ccc2OCCc2c1)c1ccnc(NC2CCC(O)CC2)n1 |(4.21,-2.5,;3.12,-3.6,;1.79,-2.83,;.46,-3.6,;-.87,-2.84,;-2.2,-3.61,;-2.2,-5.15,;-.87,-5.91,;-3.53,-5.92,;-3.52,-7.45,;-4.85,-8.22,;-6.19,-7.46,;-7.66,-7.94,;-8.57,-6.69,;-7.66,-5.44,;-6.19,-5.92,;-4.86,-5.14,;-3.54,-2.84,;-4.87,-3.61,;-6.21,-2.84,;-6.21,-1.3,;-4.88,-.53,;-4.88,1.01,;-3.55,1.78,;-2.21,1.02,;-.88,1.79,;-.88,3.33,;.45,4.09,;-2.21,4.1,;-3.55,3.33,;-3.54,-1.29,)|
Show InChI InChI=1S/C23H31N5O3/c24-11-1-2-13-28(22(30)17-3-8-20-16(15-17)10-14-31-20)21-9-12-25-23(27-21)26-18-4-6-19(29)7-5-18/h3,8-9,12,15,18-19,29H,1-2,4-7,10-11,13-14,24H2,(H,25,26,27)
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n/an/a 11n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315931
PNG
((S)-N-ethyl-3-methyl-N-(2-(1-phenylethylamino)pyri...)
Show SMILES CCN(C(=O)c1cccc(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C22H24N4O/c1-4-26(21(27)19-12-8-9-16(2)15-19)20-13-14-23-22(25-20)24-17(3)18-10-6-5-7-11-18/h5-15,17H,4H2,1-3H3,(H,23,24,25)/t17-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315917
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1ccc2OCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-3-27(22(28)19-9-10-20-18(15-19)12-14-29-20)21-11-13-24-23(26-21)25-16(2)17-7-5-4-6-8-17/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,24,25,26)/t16-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315958
PNG
(CHEMBL1089655 | N-(4-aminobutyl)-N-(2-(isopropylam...)
Show SMILES CC(C)Nc1nccc(n1)N(CCCCN)C(=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C20H27N5O2/c1-14(2)23-20-22-10-7-18(24-20)25(11-4-3-9-21)19(26)16-5-6-17-15(13-16)8-12-27-17/h5-7,10,13-14H,3-4,8-9,11-12,21H2,1-2H3,(H,22,23,24)
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n/an/a 17n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315951
PNG
(CHEMBL1093834 | N-(2-(isopropylamino)pyrimidin-4-y...)
Show SMILES CC(C)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C22H29N5O2/c1-15(2)25-22-24-11-7-20(26-22)27(14-16-5-9-23-10-6-16)21(28)18-3-4-19-17(13-18)8-12-29-19/h3-4,7,11,13,15-16,23H,5-6,8-10,12,14H2,1-2H3,(H,24,25,26)
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n/an/a 24n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315960
PNG
((S)-N-(4-aminobutyl)-N-(2-(1-methoxypropan-2-ylami...)
Show SMILES COC[C@H](C)Nc1nccc(n1)N(CCCCN)C(=O)c1ccc2OCCc2c1 |r|
Show InChI InChI=1S/C21H29N5O3/c1-15(14-28-2)24-21-23-10-7-19(25-21)26(11-4-3-9-22)20(27)17-5-6-18-16(13-17)8-12-29-18/h5-7,10,13,15H,3-4,8-9,11-12,14,22H2,1-2H3,(H,23,24,25)/t15-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315938
PNG
((S)-N-ethyl-2-fluoro-5-methyl-N-(2-(1-phenylethyla...)
Show SMILES CCN(C(=O)c1cc(C)ccc1F)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C22H23FN4O/c1-4-27(21(28)18-14-15(2)10-11-19(18)23)20-12-13-24-22(26-20)25-16(3)17-8-6-5-7-9-17/h5-14,16H,4H2,1-3H3,(H,24,25,26)/t16-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315937
PNG
((S)-N-ethyl-4-fluoro-3-methyl-N-(2-(1-phenylethyla...)
Show SMILES CCN(C(=O)c1ccc(F)c(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C22H23FN4O/c1-4-27(21(28)18-10-11-19(23)15(2)14-18)20-12-13-24-22(26-20)25-16(3)17-8-6-5-7-9-17/h5-14,16H,4H2,1-3H3,(H,24,25,26)/t16-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315922
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1ccc2CCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C24H26N4O/c1-3-28(23(29)21-13-12-19-10-7-11-20(19)16-21)22-14-15-25-24(27-22)26-17(2)18-8-5-4-6-9-18/h4-6,8-9,12-17H,3,7,10-11H2,1-2H3,(H,25,26,27)/t17-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315943
PNG
((S)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-N-(pi...)
Show SMILES C[C@H](Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31N5O2/c1-19(21-5-3-2-4-6-21)30-27-29-15-11-25(31-27)32(18-20-9-13-28-14-10-20)26(33)23-7-8-24-22(17-23)12-16-34-24/h2-8,11,15,17,19-20,28H,9-10,12-14,16,18H2,1H3,(H,29,30,31)/t19-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315916
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1ccc2ccccc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C25H24N4O/c1-3-29(24(30)22-14-13-20-11-7-8-12-21(20)17-22)23-15-16-26-25(28-23)27-18(2)19-9-5-4-6-10-19/h4-18H,3H2,1-2H3,(H,26,27,28)/t18-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315936
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1cccc(c1)C(F)(F)F)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C22H21F3N4O/c1-3-29(20(30)17-10-7-11-18(14-17)22(23,24)25)19-12-13-26-21(28-19)27-15(2)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3,(H,26,27,28)/t15-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315934
PNG
((S)-N,3-diethyl-N-(2-(1-phenylethylamino)pyrimidin...)
Show SMILES CCN(C(=O)c1cccc(CC)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C23H26N4O/c1-4-18-10-9-13-20(16-18)22(28)27(5-2)21-14-15-24-23(26-21)25-17(3)19-11-7-6-8-12-19/h6-17H,4-5H2,1-3H3,(H,24,25,26)/t17-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315920
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1ccc2occc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C23H22N4O2/c1-3-27(22(28)19-9-10-20-18(15-19)12-14-29-20)21-11-13-24-23(26-21)25-16(2)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,24,25,26)/t16-/m0/s1
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Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315919
PNG
((S)-N-(3-(methylsulfonyl)propyl)-N-(2-(1-phenyleth...)
Show SMILES C[C@H](Nc1nccc(n1)N(CCCS(C)(=O)=O)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H28N4O4S/c1-18(19-7-4-3-5-8-19)27-25-26-13-11-23(28-25)29(14-6-16-34(2,31)32)24(30)21-9-10-22-20(17-21)12-15-33-22/h3-5,7-11,13,17-18H,6,12,14-16H2,1-2H3,(H,26,27,28)/t18-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315933
PNG
((S)-N-ethyl-2,3-dimethyl-N-(2-(1-phenylethylamino)...)
Show SMILES CCN(C(=O)c1cccc(C)c1C)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C23H26N4O/c1-5-27(22(28)20-13-9-10-16(2)17(20)3)21-14-15-24-23(26-21)25-18(4)19-11-7-6-8-12-19/h6-15,18H,5H2,1-4H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315929
PNG
((S)-3-chloro-N-ethyl-N-(2-(1-phenylethylamino)pyri...)
Show SMILES CCN(C(=O)c1cccc(Cl)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C21H21ClN4O/c1-3-26(20(27)17-10-7-11-18(22)14-17)19-12-13-23-21(25-19)24-15(2)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3,(H,23,24,25)/t15-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315921
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1cccc2CCOc12)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C23H24N4O2/c1-3-27(22(28)19-11-7-10-18-13-15-29-21(18)19)20-12-14-24-23(26-20)25-16(2)17-8-5-4-6-9-17/h4-12,14,16H,3,13,15H2,1-2H3,(H,24,25,26)/t16-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315932
PNG
((S)-N-ethyl-3,4-dimethyl-N-(2-(1-phenylethylamino)...)
Show SMILES CCN(C(=O)c1ccc(C)c(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C23H26N4O/c1-5-27(22(28)20-12-11-16(2)17(3)15-20)21-13-14-24-23(26-21)25-18(4)19-9-7-6-8-10-19/h6-15,18H,5H2,1-4H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315950
PNG
((S)-N-(4-hydroxybutyl)-N-(2-(1-phenylethylamino)py...)
Show SMILES C[C@H](Nc1nccc(n1)N(CCCCO)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H28N4O3/c1-18(19-7-3-2-4-8-19)27-25-26-13-11-23(28-25)29(14-5-6-15-30)24(31)21-9-10-22-20(17-21)12-16-32-22/h2-4,7-11,13,17-18,30H,5-6,12,14-16H2,1H3,(H,26,27,28)/t18-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315935
PNG
((S)-3-cyclopropyl-N-ethyl-N-(2-(1-phenylethylamino...)
Show SMILES CCN(C(=O)c1cccc(c1)C1CC1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C24H26N4O/c1-3-28(23(29)21-11-7-10-20(16-21)19-12-13-19)22-14-15-25-24(27-22)26-17(2)18-8-5-4-6-9-18/h4-11,14-17,19H,3,12-13H2,1-2H3,(H,25,26,27)/t17-/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15240
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2556-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.088
BindingDB Entry DOI: 10.7270/Q2VT1S84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315925
PNG
((S)-N-ethyl-1-methyl-N-(2-(1-phenylethylamino)pyri...)
Show SMILES CCN(C(=O)c1cn(C)c2ccccc12)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C24H25N5O/c1-4-29(23(30)20-16-28(3)21-13-9-8-12-19(20)21)22-14-15-25-24(27-22)26-17(2)18-10-6-5-7-11-18/h5-17H,4H2,1-3H3,(H,25,26,27)/t17-/m0/s1
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n/an/a 154n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315942
PNG
((S)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-N-((t...)
Show SMILES C[C@H](Nc1nccc(n1)N(CC1CCOCC1)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N4O3/c1-19(21-5-3-2-4-6-21)29-27-28-13-9-25(30-27)31(18-20-10-14-33-15-11-20)26(32)23-7-8-24-22(17-23)12-16-34-24/h2-9,13,17,19-20H,10-12,14-16,18H2,1H3,(H,28,29,30)/t19-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315918
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1ccc2OCOc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C22H22N4O3/c1-3-26(21(27)17-9-10-18-19(13-17)29-14-28-18)20-11-12-23-22(25-20)24-15(2)16-7-5-4-6-8-16/h4-13,15H,3,14H2,1-2H3,(H,23,24,25)/t15-/m0/s1
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n/an/a 164n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315940
PNG
((S)-N-(cyclopropylmethyl)-N-(2-(1-phenylethylamino...)
Show SMILES C[C@H](Nc1nccc(n1)N(CC1CC1)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H26N4O2/c1-17(19-5-3-2-4-6-19)27-25-26-13-11-23(28-25)29(16-18-7-8-18)24(30)21-9-10-22-20(15-21)12-14-31-22/h2-6,9-11,13,15,17-18H,7-8,12,14,16H2,1H3,(H,26,27,28)/t17-/m0/s1
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n/an/a 165n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315926
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1cc2ccccc2o1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C23H22N4O2/c1-3-27(22(28)20-15-18-11-7-8-12-19(18)29-20)21-13-14-24-23(26-21)25-16(2)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,24,25,26)/t16-/m0/s1
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n/an/a 179n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315923
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1ccc2CCCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C25H28N4O/c1-3-29(24(30)22-14-13-20-11-7-8-12-21(20)17-22)23-15-16-26-25(28-23)27-18(2)19-9-5-4-6-10-19/h4-6,9-10,13-18H,3,7-8,11-12H2,1-2H3,(H,26,27,28)/t18-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315924
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1csc2ccccc12)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C23H22N4OS/c1-3-27(22(28)19-15-29-20-12-8-7-11-18(19)20)21-13-14-24-23(26-21)25-16(2)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,24,25,26)/t16-/m0/s1
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n/an/a 188n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315927
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...)
Show SMILES CCN(C(=O)c1ccccc1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C21H22N4O/c1-3-25(20(26)18-12-8-5-9-13-18)19-14-15-22-21(24-19)23-16(2)17-10-6-4-7-11-17/h4-16H,3H2,1-2H3,(H,22,23,24)/t16-/m0/s1
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n/an/a 193n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315928
PNG
((S)-2-chloro-N-ethyl-N-(2-(1-phenylethylamino)pyri...)
Show SMILES CCN(C(=O)c1ccccc1Cl)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C21H21ClN4O/c1-3-26(20(27)17-11-7-8-12-18(17)22)19-13-14-23-21(25-19)24-15(2)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H,23,24,25)/t15-/m0/s1
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n/an/a 267n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315961
PNG
((S)-N-(4-aminobutyl)-N-(2-(1-hydroxypropan-2-ylami...)
Show SMILES C[C@@H](CO)Nc1nccc(n1)N(CCCCN)C(=O)c1ccc2OCCc2c1 |r|
Show InChI InChI=1S/C20H27N5O3/c1-14(13-26)23-20-22-9-6-18(24-20)25(10-3-2-8-21)19(27)16-4-5-17-15(12-16)7-11-28-17/h4-6,9,12,14,26H,2-3,7-8,10-11,13,21H2,1H3,(H,22,23,24)/t14-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315875
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyridin-4-yl)...)
Show SMILES CCN(C(=O)c1ccc2ccccc2c1)c1ccnc(N[C@@H](C)c2ccccc2)c1 |r|
Show InChI InChI=1S/C26H25N3O/c1-3-29(26(30)23-14-13-21-11-7-8-12-22(21)17-23)24-15-16-27-25(18-24)28-19(2)20-9-5-4-6-10-20/h4-19H,3H2,1-2H3,(H,27,28)/t19-/m0/s1
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n/an/a 313n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315930
PNG
((S)-4-chloro-N-ethyl-N-(2-(1-phenylethylamino)pyri...)
Show SMILES CCN(C(=O)c1ccc(Cl)cc1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C21H21ClN4O/c1-3-26(20(27)17-9-11-18(22)12-10-17)19-13-14-23-21(25-19)24-15(2)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,23,24,25)/t15-/m0/s1
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n/an/a 313n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315875
PNG
((S)-N-ethyl-N-(2-(1-phenylethylamino)pyridin-4-yl)...)
Show SMILES CCN(C(=O)c1ccc2ccccc2c1)c1ccnc(N[C@@H](C)c2ccccc2)c1 |r|
Show InChI InChI=1S/C26H25N3O/c1-3-29(26(30)23-14-13-21-11-7-8-12-22(21)17-23)24-15-16-27-25(18-24)28-19(2)20-9-5-4-6-10-20/h4-19H,3H2,1-2H3,(H,27,28)/t19-/m0/s1
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n/an/a 313n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2556-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.088
BindingDB Entry DOI: 10.7270/Q2VT1S84
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315954
PNG
((S)-N-(2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl...)
Show SMILES COC[C@H](C)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1 |r|
Show InChI InChI=1S/C23H31N5O3/c1-16(15-30-2)26-23-25-11-7-21(27-23)28(14-17-5-9-24-10-6-17)22(29)19-3-4-20-18(13-19)8-12-31-20/h3-4,7,11,13,16-17,24H,5-6,8-10,12,14-15H2,1-2H3,(H,25,26,27)/t16-/m0/s1
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n/an/a 316n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315867
PNG
((S)-N-(4-fluorobenzyl)-N-(2-(1-phenylethylamino)py...)
Show SMILES C[C@H](Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(=O)c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C31H26FN3O/c1-22(24-7-3-2-4-8-24)34-30-20-29(17-18-33-30)35(21-23-11-15-28(32)16-12-23)31(36)27-14-13-25-9-5-6-10-26(25)19-27/h2-20,22H,21H2,1H3,(H,33,34)/t22-/m0/s1
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n/an/a 345n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2556-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.088
BindingDB Entry DOI: 10.7270/Q2VT1S84
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315941
PNG
((S)-N-(2-methoxyethyl)-N-(2-(1-phenylethylamino)py...)
Show SMILES COCCN(C(=O)c1ccc2OCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C24H26N4O3/c1-17(18-6-4-3-5-7-18)26-24-25-12-10-22(27-24)28(13-15-30-2)23(29)20-8-9-21-19(16-20)11-14-31-21/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,25,26,27)/t17-/m0/s1
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n/an/a 345n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315952
PNG
(CHEMBL1091228 | N-(2-(4-hydroxycyclohexylamino)pyr...)
Show SMILES OC1CCC(CC1)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1 |(35.6,4.66,;34.26,3.89,;34.26,2.35,;32.93,1.58,;31.59,2.35,;31.59,3.89,;32.93,4.66,;30.26,1.58,;30.26,.04,;28.94,-.73,;28.93,-2.28,;30.27,-3.05,;31.6,-2.27,;31.6,-.72,;32.94,-3.04,;34.27,-2.27,;35.61,-3.04,;35.6,-4.57,;36.93,-5.34,;38.27,-4.58,;38.27,-3.03,;36.93,-2.26,;32.94,-4.58,;34.28,-5.35,;31.61,-5.35,;31.62,-6.88,;30.3,-7.66,;28.95,-6.9,;27.48,-7.37,;26.57,-6.13,;27.48,-4.88,;28.95,-5.35,;30.28,-4.58,)|
Show InChI InChI=1S/C25H33N5O3/c31-21-4-2-20(3-5-21)28-25-27-13-9-23(29-25)30(16-17-7-11-26-12-8-17)24(32)19-1-6-22-18(15-19)10-14-33-22/h1,6,9,13,15,17,20-21,26,31H,2-5,7-8,10-12,14,16H2,(H,27,28,29)
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n/an/a 360n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315953
PNG
(CHEMBL1091229 | N-(2-(4-aminocyclohexylamino)pyrim...)
Show SMILES NC1CCC(CC1)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1 |(.64,-10.63,;-.7,-11.4,;-.7,-12.94,;-2.03,-13.71,;-3.37,-12.94,;-3.37,-11.4,;-2.03,-10.63,;-4.7,-13.71,;-4.69,-15.25,;-6.02,-16.02,;-6.02,-17.57,;-4.69,-18.34,;-3.35,-17.57,;-3.36,-16.02,;-2.02,-18.33,;-.69,-17.56,;.65,-18.33,;.64,-19.87,;1.97,-20.63,;3.31,-19.87,;3.31,-18.33,;1.97,-17.55,;-2.02,-19.87,;-.68,-20.64,;-3.35,-20.65,;-3.34,-22.18,;-4.66,-22.95,;-6.01,-22.19,;-7.48,-22.67,;-8.39,-21.42,;-7.48,-20.17,;-6.01,-20.64,;-4.68,-19.87,)|
Show InChI InChI=1S/C25H34N6O2/c26-20-2-4-21(5-3-20)29-25-28-13-9-23(30-25)31(16-17-7-11-27-12-8-17)24(32)19-1-6-22-18(15-19)10-14-33-22/h1,6,9,13,15,17,20-21,27H,2-5,7-8,10-12,14,16,26H2,(H,28,29,30)
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n/an/a 400n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315874
PNG
((S)-N-(4-fluorobenzyl)-N-(2-(1-phenylethylamino)py...)
Show SMILES C[C@H](Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H22FN3O/c1-16(19-6-4-3-5-7-19)25-22-14-21(12-13-24-22)26(17(2)27)15-18-8-10-20(23)11-9-18/h3-14,16H,15H2,1-2H3,(H,24,25)/t16-/m0/s1
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n/an/a 408n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2556-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.088
BindingDB Entry DOI: 10.7270/Q2VT1S84
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315939
PNG
((S)-N-isobutyl-N-(2-(1-phenylethylamino)pyrimidin-...)
Show SMILES CC(C)CN(C(=O)c1ccc2OCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
Show InChI InChI=1S/C25H28N4O2/c1-17(2)16-29(24(30)21-9-10-22-20(15-21)12-14-31-22)23-11-13-26-25(28-23)27-18(3)19-7-5-4-6-8-19/h4-11,13,15,17-18H,12,14,16H2,1-3H3,(H,26,27,28)/t18-/m0/s1
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n/an/a 462n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315956
PNG
(CHEMBL1091635 | N-(2-(1-methoxybutan-2-ylamino)pyr...)
Show SMILES CCC(COC)Nc1nccc(n1)N(CC1CCNCC1)C(=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C24H33N5O3/c1-3-20(16-31-2)27-24-26-12-8-22(28-24)29(15-17-6-10-25-11-7-17)23(30)19-4-5-21-18(14-19)9-13-32-21/h4-5,8,12,14,17,20,25H,3,6-7,9-11,13,15-16H2,1-2H3,(H,26,27,28)
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n/an/a 530n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315873
PNG
((S)-N-(4-fluorobenzyl)-N-(2-(1-phenylethylamino)py...)
Show SMILES C[C@H](Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H24FN3O/c1-20(22-8-4-2-5-9-22)30-26-18-25(16-17-29-26)31(19-21-12-14-24(28)15-13-21)27(32)23-10-6-3-7-11-23/h2-18,20H,19H2,1H3,(H,29,30)/t20-/m0/s1
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n/an/a 589n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2556-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.088
BindingDB Entry DOI: 10.7270/Q2VT1S84
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315957
PNG
(CHEMBL1091636 | N-(2-(cyclopropylamino)pyrimidin-4...)
Show SMILES O=C(N(CC1CCNCC1)c1ccnc(NC2CC2)n1)c1ccc2OCCc2c1
Show InChI InChI=1S/C22H27N5O2/c28-21(17-1-4-19-16(13-17)8-12-29-19)27(14-15-5-9-23-10-6-15)20-7-11-24-22(26-20)25-18-2-3-18/h1,4,7,11,13,15,18,23H,2-3,5-6,8-10,12,14H2,(H,24,25,26)
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n/an/a 600n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315872
PNG
(CHEMBL1092953 | N-(4-fluorobenzyl)-N-(2-(isopropyl...)
Show SMILES CC(C)Nc1cc(ccn1)N(Cc1ccc(F)cc1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H24FN3O/c1-18(2)29-25-16-24(13-14-28-25)30(17-19-7-11-23(27)12-8-19)26(31)22-10-9-20-5-3-4-6-21(20)15-22/h3-16,18H,17H2,1-2H3,(H,28,29)
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n/an/a 671n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2556-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.088
BindingDB Entry DOI: 10.7270/Q2VT1S84
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315947
PNG
((S)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-N-((1...)
Show SMILES C[C@H](Nc1nccc(n1)N(CC1CCN(CC1)S(N)(=O)=O)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H32N6O4S/c1-19(21-5-3-2-4-6-21)30-27-29-13-9-25(31-27)33(18-20-10-14-32(15-11-20)38(28,35)36)26(34)23-7-8-24-22(17-23)12-16-37-24/h2-9,13,17,19-20H,10-12,14-16,18H2,1H3,(H2,28,35,36)(H,29,30,31)/t19-/m0/s1
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n/an/a 673n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50315946
PNG
((S)-4-((N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2...)
Show SMILES C[C@H](Nc1nccc(n1)N(CC1CCN(CC1)C(N)=O)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C28H32N6O3/c1-19(21-5-3-2-4-6-21)31-28-30-13-9-25(32-28)34(18-20-10-14-33(15-11-20)27(29)36)26(35)23-7-8-24-22(17-23)12-16-37-24/h2-9,13,17,19-20H,10-12,14-16,18H2,1H3,(H2,29,36)(H,30,31,32)/t19-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 711n/an/an/an/an/an/a



Scios Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2560-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.090
BindingDB Entry DOI: 10.7270/Q2BV7GS3
More data for this
Ligand-Target Pair
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