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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'montalban' and Initial = 'ag'   
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))
BDBM50323659
PNG
(CHEMBL1208890 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncn3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C28H29N5O5S/c1-28(2,3)17-14-22(26(38-4)23(15-17)33-39(5,36)37)32-27(35)25(34)20-10-11-21(19-9-7-6-8-18(19)20)31-24-12-13-29-16-30-24/h6-16,33H,1-5H3,(H,32,35)(H,29,30,31)
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n/an/a 1n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a 1.90n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323660
PNG
(CHEMBL1208891 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C29H30N4O5S/c1-29(2,3)18-16-24(27(38-4)25(17-18)33-39(5,36)37)32-28(35)26(34)22-10-11-23(21-9-7-6-8-20(21)22)31-19-12-14-30-15-13-19/h6-17,33H,1-5H3,(H,30,31)(H,32,35)
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n/an/a 2n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323662
PNG
(CHEMBL1208954 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(n3)N3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C32H35N5O7S/c1-32(2,3)20-18-24(29(42-4)25(19-20)36-45(5,40)41)34-30(39)28(38)23-10-11-26(22-9-7-6-8-21(22)23)44-27-12-13-33-31(35-27)37-14-16-43-17-15-37/h6-13,18-19,36H,14-17H2,1-5H3,(H,34,39)
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n/an/a 13n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50274366
PNG
(2-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-N-(4-(2-...)
Show SMILES Cn1nc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C26H32N4O4/c1-26(2,3)23-17-21(29(4)28-23)24(31)25(32)27-20-9-10-22(19-8-6-5-7-18(19)20)34-16-13-30-11-14-33-15-12-30/h5-10,17H,11-16H2,1-4H3,(H,27,32)
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n/an/a 14n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha


Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 17n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase phosphorylation


Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 17n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50274368
PNG
(2-(5-tert-butyl-2-methylfuran-3-yl)-N-(4-(6-(morph...)
Show SMILES Cc1oc(cc1C(=O)C(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H33N3O4/c1-20-26(17-28(38-20)31(2,3)4)29(35)30(36)33-27-12-11-23(24-7-5-6-8-25(24)27)21-9-10-22(32-18-21)19-34-13-15-37-16-14-34/h5-12,17-18H,13-16,19H2,1-4H3,(H,33,36)
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n/an/a 20n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha phosphorylation


Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323668
PNG
(CHEMBL1208953 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES CNc1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(cc(NS(C)(=O)=O)c3OC)C(C)(C)C)c3ccccc23)n1
Show InChI InChI=1S/C29H32N6O5S/c1-29(2,3)17-15-22(26(40-5)23(16-17)35-41(6,38)39)33-27(37)25(36)20-11-12-21(19-10-8-7-9-18(19)20)32-24-13-14-31-28(30-4)34-24/h7-16,35H,1-6H3,(H,33,37)(H2,30,31,32,34)
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n/an/a 21n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323666
PNG
(CHEMBL1209013 | N-(5-tert-butyl-3-cyano-2-methoxyp...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3ccnc(C)c3)c3ccccc23)cc(cc1C#N)C(C)(C)C
Show InChI InChI=1S/C30H27N3O3/c1-18-14-19(12-13-32-18)22-10-11-25(24-9-7-6-8-23(22)24)27(34)29(35)33-26-16-21(30(2,3)4)15-20(17-31)28(26)36-5/h6-16H,1-5H3,(H,33,35)
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n/an/a 22n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50274367
PNG
(2-(5-tert-butyl-2-methylfuran-3-yl)-N-(4-(2-morpho...)
Show SMILES Cc1oc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C27H32N2O5/c1-18-21(17-24(34-18)27(2,3)4)25(30)26(31)28-22-9-10-23(20-8-6-5-7-19(20)22)33-16-13-29-11-14-32-15-12-29/h5-10,17H,11-16H2,1-4H3,(H,28,31)
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n/an/a 22n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha


Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50374798
PNG
(CHEMBL255410)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)C(N=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1/C32H37N5O4/c1-22-9-11-23(12-10-22)37-29(21-28(34-37)32(2,3)4)33-31(38)30(35-39)26-13-14-27(25-8-6-5-7-24(25)26)41-20-17-36-15-18-40-19-16-36/h5-14,21,30H,15-20H2,1-4H3,(H,33,38)
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n/an/a 23n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase


Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323660
PNG
(CHEMBL1208891 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C29H30N4O5S/c1-29(2,3)18-16-24(27(38-4)25(17-18)33-39(5,36)37)32-28(35)26(34)22-10-11-23(21-9-7-6-8-20(21)22)31-19-12-14-30-15-13-19/h6-17,33H,1-5H3,(H,30,31)(H,32,35)
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n/an/a 25n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323650
PNG
(CHEMBL1209838 | N-(3-cyano-5-morpholinophenyl)-2-(...)
Show SMILES O=C(Nc1cc(cc(c1)N1CCOCC1)C#N)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C29H30N4O5/c30-20-21-17-22(19-23(18-21)33-10-14-37-15-11-33)31-29(35)28(34)26-5-6-27(25-4-2-1-3-24(25)26)38-16-9-32-7-12-36-13-8-32/h1-6,17-19H,7-16H2,(H,31,35)
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n/an/a 28n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/a 29n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase


Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323649
PNG
(CHEMBL1209837 | N-(3-tert-butyl-5-cyanophenyl)-2-(...)
Show SMILES CC(C)(C)c1cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(c1)C#N
Show InChI InChI=1S/C29H31N3O4/c1-29(2,3)21-16-20(19-30)17-22(18-21)31-28(34)27(33)25-8-9-26(24-7-5-4-6-23(24)25)36-15-12-32-10-13-35-14-11-32/h4-9,16-18H,10-15H2,1-3H3,(H,31,34)
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n/an/a 33n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323654
PNG
(CHEMBL1208829 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35)
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n/an/a 38n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323662
PNG
(CHEMBL1208954 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(n3)N3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C32H35N5O7S/c1-32(2,3)20-18-24(29(42-4)25(19-20)36-45(5,40)41)34-30(39)28(38)23-10-11-26(22-9-7-6-8-21(22)23)44-27-12-13-33-31(35-27)37-14-16-43-17-15-37/h6-13,18-19,36H,14-17H2,1-5H3,(H,34,39)
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n/an/a 38n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
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=1/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 39n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase


Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1/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 39n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323651
PNG
(CHEMBL1209839 | N-(5-tert-butyl-3-cyano-2-methoxyp...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1C#N)C(C)(C)C
Show InChI InChI=1S/C30H33N3O5/c1-30(2,3)21-17-20(19-31)28(36-4)25(18-21)32-29(35)27(34)24-9-10-26(23-8-6-5-7-22(23)24)38-16-13-33-11-14-37-15-12-33/h5-10,17-18H,11-16H2,1-4H3,(H,32,35)
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n/an/a 42n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 44n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 44n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase


Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323661
PNG
(CHEMBL1208952 | N-(5-tert-butyl-3-cyano-2-methoxyp...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1C#N)C(C)(C)C
Show InChI InChI=1S/C29H26N4O3/c1-29(2,3)19-15-18(17-30)27(36-4)25(16-19)33-28(35)26(34)23-9-10-24(22-8-6-5-7-21(22)23)32-20-11-13-31-14-12-20/h5-16H,1-4H3,(H,31,32)(H,33,35)
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n/an/a 51n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323654
PNG
(CHEMBL1208829 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35)
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n/an/a 59n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50274368
PNG
(2-(5-tert-butyl-2-methylfuran-3-yl)-N-(4-(6-(morph...)
Show SMILES Cc1oc(cc1C(=O)C(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H33N3O4/c1-20-26(17-28(38-20)31(2,3)4)29(35)30(36)33-27-12-11-23(24-7-5-6-8-25(24)27)21-9-10-22(32-18-21)19-34-13-15-37-16-14-34/h5-12,17-18H,13-16,19H2,1-4H3,(H,33,36)
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n/an/a 59n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha


Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50274364
PNG
(2-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-2-(hydr...)
Show SMILES Cc1cccc(c1)-n1nc(cc1C(N=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1/C32H37N5O4/c1-22-8-7-9-23(20-22)37-27(21-29(34-37)32(2,3)4)30(35-39)31(38)33-26-12-13-28(25-11-6-5-10-24(25)26)41-19-16-36-14-17-40-18-15-36/h5-13,20-21,30H,14-19H2,1-4H3,(H,33,38)
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n/an/a 59n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha


Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323664
PNG
(CHEMBL1208956 | N-(5-tert-butyl-3-cyano-2-methoxyp...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3ccncc3)c3ccccc23)cc(cc1C#N)C(C)(C)C
Show InChI InChI=1S/C29H25N3O3/c1-29(2,3)20-15-19(17-30)27(35-4)25(16-20)32-28(34)26(33)24-10-9-21(18-11-13-31-14-12-18)22-7-5-6-8-23(22)24/h5-16H,1-4H3,(H,32,34)
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n/an/a 60n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323653
PNG
(CHEMBL1208828 | N-(5-tert-butyl-3-chloro-2-methoxy...)
Show SMILES COc1c(Cl)cc(cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C29H33ClN2O5/c1-29(2,3)19-17-23(30)27(35-4)24(18-19)31-28(34)26(33)22-9-10-25(21-8-6-5-7-20(21)22)37-16-13-32-11-14-36-15-12-32/h5-10,17-18H,11-16H2,1-4H3,(H,31,34)
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n/an/a 70n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50274366
PNG
(2-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-N-(4-(2-...)
Show SMILES Cn1nc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C26H32N4O4/c1-26(2,3)23-17-21(29(4)28-23)24(31)25(32)27-20-9-10-22(19-8-6-5-7-18(19)20)34-16-13-30-11-14-33-15-12-30/h5-10,17H,11-16H2,1-4H3,(H,27,32)
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n/an/a 70n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha phosphorylation


Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323655
PNG
(5-tert-butyl-N-cyclopropyl-2-methoxy-3-(2-(4-(2-mo...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1C(=O)NC1CC1)C(C)(C)C
Show InChI InChI=1S/C33H39N3O6/c1-33(2,3)21-19-26(31(38)34-22-9-10-22)30(40-4)27(20-21)35-32(39)29(37)25-11-12-28(24-8-6-5-7-23(24)25)42-18-15-36-13-16-41-17-14-36/h5-8,11-12,19-20,22H,9-10,13-18H2,1-4H3,(H,34,38)(H,35,39)
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n/an/a 71n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323659
PNG
(CHEMBL1208890 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncn3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C28H29N5O5S/c1-28(2,3)17-14-22(26(38-4)23(15-17)33-39(5,36)37)32-27(35)25(34)20-10-11-21(19-9-7-6-8-18(19)20)31-24-12-13-29-16-30-24/h6-16,33H,1-5H3,(H,32,35)(H,29,30,31)
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n/an/a 72n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323663
PNG
(CHEMBL1208955 | N-(5-tert-butyl-3-cyano-2-methoxyp...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3cccnc3)c3ccccc23)cc(cc1C#N)C(C)(C)C
Show InChI InChI=1S/C29H25N3O3/c1-29(2,3)20-14-19(16-30)27(35-4)25(15-20)32-28(34)26(33)24-12-11-21(18-8-7-13-31-17-18)22-9-5-6-10-23(22)24/h5-15,17H,1-4H3,(H,32,34)
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n/an/a 78n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323658
PNG
(CHEMBL1208889 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)Cc2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C30H39N3O6S/c1-30(2,3)22-19-25(29(37-4)26(20-22)32-40(5,35)36)31-28(34)18-21-10-11-27(24-9-7-6-8-23(21)24)39-17-14-33-12-15-38-16-13-33/h6-11,19-20,32H,12-18H2,1-5H3,(H,31,34)
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n/an/a 90n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50274364
PNG
(2-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-2-(hydr...)
Show SMILES Cc1cccc(c1)-n1nc(cc1C(N=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1/C32H37N5O4/c1-22-8-7-9-23(20-22)37-27(21-29(34-37)32(2,3)4)30(35-39)31(38)33-26-12-13-28(25-11-6-5-10-24(25)26)41-19-16-36-14-17-40-18-15-36/h5-13,20-21,30H,14-19H2,1-4H3,(H,33,38)
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Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha phosphorylation


Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323655
PNG
(5-tert-butyl-N-cyclopropyl-2-methoxy-3-(2-(4-(2-mo...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1C(=O)NC1CC1)C(C)(C)C
Show InChI InChI=1S/C33H39N3O6/c1-33(2,3)21-19-26(31(38)34-22-9-10-22)30(40-4)27(20-21)35-32(39)29(37)25-11-12-28(24-8-6-5-7-23(24)25)42-18-15-36-13-16-41-17-14-36/h5-8,11-12,19-20,22H,9-10,13-18H2,1-4H3,(H,34,38)(H,35,39)
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n/an/a 140n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50374798
PNG
(CHEMBL255410)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)C(N=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1/C32H37N5O4/c1-22-9-11-23(12-10-22)37-29(21-28(34-37)32(2,3)4)33-31(38)30(35-39)26-13-14-27(25-8-6-5-7-24(25)26)41-20-17-36-15-18-40-19-16-36/h5-14,21,30H,15-20H2,1-4H3,(H,33,38)
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n/an/a 150n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase phosphorylation


Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50374800
PNG
(CHEMBL404722)
Show SMILES Cn1nc(cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C26H32N4O4/c1-26(2,3)22-17-23(29(4)28-22)27-25(32)24(31)20-9-10-21(19-8-6-5-7-18(19)20)34-16-13-30-11-14-33-15-12-30/h5-10,17H,11-16H2,1-4H3,(H,27,32)
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n/an/a 150n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase


Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323665
PNG
(CHEMBL1209012 | N-(5-tert-butyl-3-cyano-2-methoxyp...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3ccc(F)nc3)c3ccccc23)cc(cc1C#N)C(C)(C)C
Show InChI InChI=1S/C29H24FN3O3/c1-29(2,3)19-13-18(15-31)27(36-4)24(14-19)33-28(35)26(34)23-11-10-20(17-9-12-25(30)32-16-17)21-7-5-6-8-22(21)23/h5-14,16H,1-4H3,(H,33,35)
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n/an/a 190n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323658
PNG
(CHEMBL1208889 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)Cc2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C30H39N3O6S/c1-30(2,3)22-19-25(29(37-4)26(20-22)32-40(5,35)36)31-28(34)18-21-10-11-27(24-9-7-6-8-23(21)24)39-17-14-33-12-15-38-16-13-33/h6-11,19-20,32H,12-18H2,1-5H3,(H,31,34)
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n/an/a 190n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323656
PNG
((E)-N-(5-tert-butyl-2-methoxy-3-(methylsulfonamido...)
Show SMILES COc1c(NC(=O)C(N=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1/C30H38N4O7S/c1-30(2,3)20-18-24(28(39-4)25(19-20)33-42(5,37)38)31-29(35)27(32-36)23-10-11-26(22-9-7-6-8-21(22)23)41-17-14-34-12-15-40-16-13-34/h6-11,18-19,27,33H,12-17H2,1-5H3,(H,31,35)
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n/an/a 200n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323652
PNG
(CHEMBL1209840 | N-(5-tert-butyl-2-methoxyphenyl)-2...)
Show SMILES COc1ccc(cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C29H34N2O5/c1-29(2,3)20-9-11-26(34-4)24(19-20)30-28(33)27(32)23-10-12-25(22-8-6-5-7-21(22)23)36-18-15-31-13-16-35-17-14-31/h5-12,19H,13-18H2,1-4H3,(H,30,33)
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n/an/a 250n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323648
PNG
(CHEMBL1209755 | N-(3-tert-butylphenyl)-2-(4-(2-mor...)
Show SMILES CC(C)(C)c1cccc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)c1
Show InChI InChI=1S/C28H32N2O4/c1-28(2,3)20-7-6-8-21(19-20)29-27(32)26(31)24-11-12-25(23-10-5-4-9-22(23)24)34-18-15-30-13-16-33-17-14-30/h4-12,19H,13-18H2,1-3H3,(H,29,32)
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n/an/a 250n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50274367
PNG
(2-(5-tert-butyl-2-methylfuran-3-yl)-N-(4-(2-morpho...)
Show SMILES Cc1oc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C27H32N2O5/c1-18-21(17-24(34-18)27(2,3)4)25(30)26(31)28-22-9-10-23(20-8-6-5-7-19(20)22)33-16-13-29-11-14-32-15-12-29/h5-10,17H,11-16H2,1-4H3,(H,28,31)
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n/an/a 270n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha phosphorylation


Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50374800
PNG
(CHEMBL404722)
Show SMILES Cn1nc(cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C26H32N4O4/c1-26(2,3)22-17-23(29(4)28-22)27-25(32)24(31)20-9-10-21(19-8-6-5-7-18(19)20)34-16-13-30-11-14-33-15-12-30/h5-10,17H,11-16H2,1-4H3,(H,27,32)
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n/an/a 300n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase phosphorylation


Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50374799
PNG
(CHEMBL270617)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H36N4O4/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)32(2,3)4)33-31(38)30(37)26-13-14-27(25-8-6-5-7-24(25)26)40-20-17-35-15-18-39-19-16-35/h5-14,21H,15-20H2,1-4H3,(H,33,38)
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n/an/a 310n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase phosphorylation


Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323648
PNG
(CHEMBL1209755 | N-(3-tert-butylphenyl)-2-(4-(2-mor...)
Show SMILES CC(C)(C)c1cccc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)c1
Show InChI InChI=1S/C28H32N2O4/c1-28(2,3)20-7-6-8-21(19-20)29-27(32)26(31)24-11-12-25(23-10-5-4-9-22(23)24)34-18-15-30-13-16-33-17-14-30/h4-12,19H,13-18H2,1-3H3,(H,29,32)
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n/an/a 310n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50374799
PNG
(CHEMBL270617)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H36N4O4/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)32(2,3)4)33-31(38)30(37)26-13-14-27(25-8-6-5-7-24(25)26)40-20-17-35-15-18-39-19-16-35/h5-14,21H,15-20H2,1-4H3,(H,33,38)
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n/an/a 320n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase


Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323657
PNG
(CHEMBL1208832 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1/C30H39N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,27,32,34H,12-17H2,1-5H3,(H,31,35)
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n/an/a 390n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA


Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
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