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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'rothbauer' and Initial = 'u'   
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 10


(Homo sapiens (Human))
BDBM50103004
PNG
(CHEMBL3394120)
Show SMILES COC(Cn1c(S\C=C/C(O)=O)nc(c1-c1ccnc(NC2CC2)c1)-c1ccc(F)cc1)OC
Show InChI InChI=1S/C24H25FN4O4S/c1-32-21(33-2)14-29-23(16-9-11-26-19(13-16)27-18-7-8-18)22(15-3-5-17(25)6-4-15)28-24(29)34-12-10-20(30)31/h3-6,9-13,18,21H,7-8,14H2,1-2H3,(H,26,27)(H,30,31)/b12-10-
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n/an/a 12n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103129
PNG
(CHEMBL3394125)
Show SMILES OC(=O)\C=C/Sc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FN4O2S/c24-17-8-6-15(7-9-17)21-22(28-23(27-21)31-13-11-20(29)30)16-10-12-25-19(14-16)26-18-4-2-1-3-5-18/h1-14H,(H,25,26)(H,27,28)(H,29,30)/b13-11-
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n/an/a 17n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103104
PNG
(CHEMBL3394106)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O3S/c1-14(29)26-19-12-17(8-10-25-19)22-21(16-4-6-18(24)7-5-16)27-23(32-11-9-20(30)31)28(22)13-15-2-3-15/h4-12,15H,2-3,13H2,1H3,(H,30,31)(H,25,26,29)/b11-9-
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n/an/a 18n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50102911
PNG
(CHEMBL3394107)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN4O3S/c1-17(32)29-22-15-20(11-13-28-22)25-24(19-7-9-21(27)10-8-19)30-26(35-14-12-23(33)34)31(25)16-18-5-3-2-4-6-18/h7-15,18H,2-6,16H2,1H3,(H,33,34)(H,28,29,32)/b14-12-
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n/an/a 25n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103006
PNG
(CHEMBL3394121)
Show SMILES CCC(C)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC(OC)OC)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O4S/c1-5-16(2)28-20-14-18(10-12-27-20)24-23(17-6-8-19(26)9-7-17)29-25(35-13-11-21(31)32)30(24)15-22(33-3)34-4/h6-14,16,22H,5,15H2,1-4H3,(H,27,28)(H,31,32)/b13-11-
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n/an/a 26n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103104
PNG
(CHEMBL3394106)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O3S/c1-14(29)26-19-12-17(8-10-25-19)22-21(16-4-6-18(24)7-5-16)27-23(32-11-9-20(30)31)28(22)13-15-2-3-15/h4-12,15H,2-3,13H2,1H3,(H,30,31)(H,25,26,29)/b11-9-
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n/an/a 30n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50102997
PNG
(CHEMBL3394101)
Show SMILES COC(Cn1c(S\C=C/C(O)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1)OC
Show InChI InChI=1S/C23H23FN4O5S/c1-14(29)26-18-12-16(8-10-25-18)22-21(15-4-6-17(24)7-5-15)27-23(34-11-9-19(30)31)28(22)13-20(32-2)33-3/h4-12,20H,13H2,1-3H3,(H,30,31)(H,25,26,29)/b11-9-
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n/an/a 33n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103006
PNG
(CHEMBL3394121)
Show SMILES CCC(C)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC(OC)OC)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O4S/c1-5-16(2)28-20-14-18(10-12-27-20)24-23(17-6-8-19(26)9-7-17)29-25(35-13-11-21(31)32)30(24)15-22(33-3)34-4/h6-14,16,22H,5,15H2,1-4H3,(H,27,28)(H,31,32)/b13-11-
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n/an/a 34n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103010
PNG
(CHEMBL3394108)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN4O4S/c1-15(30)27-20-13-17(8-10-26-20)23-22(16-4-6-18(25)7-5-16)28-24(34-12-9-21(31)32)29(23)14-19-3-2-11-33-19/h4-10,12-13,19H,2-3,11,14H2,1H3,(H,31,32)(H,26,27,30)/b12-9-
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n/an/a 35n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50102919
PNG
(CHEMBL3394097)
Show SMILES CC(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O2S/c1-12(26)11-28-20-24-18(14-4-6-16(21)7-5-14)19(25(20)3)15-8-9-22-17(10-15)23-13(2)27/h4-10H,11H2,1-3H3,(H,22,23,27)
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n/an/a 36n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103129
PNG
(CHEMBL3394125)
Show SMILES OC(=O)\C=C/Sc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FN4O2S/c24-17-8-6-15(7-9-17)21-22(28-23(27-21)31-13-11-20(29)30)16-10-12-25-19(14-16)26-18-4-2-1-3-5-18/h1-14H,(H,25,26)(H,27,28)(H,29,30)/b13-11-
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n/an/a 36n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50102911
PNG
(CHEMBL3394107)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN4O3S/c1-17(32)29-22-15-20(11-13-28-22)25-24(19-7-9-21(27)10-8-19)30-26(35-14-12-23(33)34)31(25)16-18-5-3-2-4-6-18/h7-15,18H,2-6,16H2,1H3,(H,33,34)(H,28,29,32)/b14-12-
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n/an/a 39n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103005
PNG
(CHEMBL3394104)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN4O3S/c1-15(30)27-20-14-17(10-12-26-20)23-22(16-6-8-18(25)9-7-16)28-24(33-13-11-21(31)32)29(23)19-4-2-3-5-19/h6-14,19H,2-5H2,1H3,(H,31,32)(H,26,27,30)/b13-11-
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n/an/a 45n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103001
PNG
(CHEMBL3394103)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O3S/c1-14(29)26-19-13-16(9-11-25-19)22-21(15-5-7-17(24)8-6-15)27-23(32-12-10-20(30)31)28(22)18-3-2-4-18/h5-13,18H,2-4H2,1H3,(H,30,31)(H,25,26,29)/b12-10-
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n/an/a 47n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103103
PNG
(CHEMBL3394123)
Show SMILES OC(=O)\C=C/Sc1nc(c(-c2ccnc(Nc3ccccc3)c2)n1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H23FN4O2S/c28-21-10-8-19(9-11-21)25-26(20-12-14-29-23(16-20)30-22-4-2-1-3-5-22)32(17-18-6-7-18)27(31-25)35-15-13-24(33)34/h1-5,8-16,18H,6-7,17H2,(H,29,30)(H,33,34)/b15-13-
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n/an/a 54n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103002
PNG
(CHEMBL3394100)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN4O3S/c1-12(26)23-16-11-14(7-9-22-16)19-18(13-3-5-15(21)6-4-13)24-20(25(19)2)29-10-8-17(27)28/h3-11H,1-2H3,(H,27,28)(H,22,23,26)/b10-8-
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n/an/a 55n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103007
PNG
(CHEMBL3394122)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN6O3S/c1-3-28-25(36)33-13-9-20(10-14-33)30-21-16-18(8-12-29-21)24-23(17-4-6-19(27)7-5-17)31-26(32(24)2)37-15-11-22(34)35/h4-8,11-12,15-16,20H,3,9-10,13-14H2,1-2H3,(H,28,36)(H,29,30)(H,34,35)/b15-11-
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n/an/a 61n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103003
PNG
(CHEMBL3394119)
Show SMILES COC(Cn1c(SCC#N)nc(c1-c1ccnc(NC2CC2)c1)-c1ccc(F)cc1)OC
Show InChI InChI=1S/C23H24FN5O2S/c1-30-20(31-2)14-29-22(16-9-11-26-19(13-16)27-18-7-8-18)21(28-23(29)32-12-10-25)15-3-5-17(24)6-4-15/h3-6,9,11,13,18,20H,7-8,12,14H2,1-2H3,(H,26,27)
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n/an/a 79n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50102912
PNG
(CHEMBL3394110)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(SC2CCC(CC2O)C(O)=O)n1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H33FN4O4S/c1-17(35)32-25-16-19(13-14-31-25)27-26(18-7-10-21(30)11-8-18)33-29(34(27)22-5-3-2-4-6-22)39-24-12-9-20(28(37)38)15-23(24)36/h7-8,10-11,13-14,16,20,22-24,36H,2-6,9,12,15H2,1H3,(H,37,38)(H,31,32,35)
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n/an/a 79n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103130
PNG
(CHEMBL3394126)
Show SMILES CCOC(=O)\C=C/Sc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN4O2S/c1-2-32-22(31)13-15-33-25-29-23(17-8-10-19(26)11-9-17)24(30-25)18-12-14-27-21(16-18)28-20-6-4-3-5-7-20/h3-16H,2H2,1H3,(H,27,28)(H,29,30)/b15-13-
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n/an/a 80n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103000
PNG
(CHEMBL3394102)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN4O3S/c1-13(28)25-18-12-15(8-10-24-18)21-20(14-2-4-16(23)5-3-14)26-22(27(21)17-6-7-17)31-11-9-19(29)30/h2-5,8-12,17H,6-7H2,1H3,(H,29,30)(H,24,25,28)/b11-9-
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n/an/a 82n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50102913
PNG
(CHEMBL3394098)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(SCCC(O)=O)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O3S/c1-12(26)23-16-11-14(7-9-22-16)19-18(13-3-5-15(21)6-4-13)24-20(25(19)2)29-10-8-17(27)28/h3-7,9,11H,8,10H2,1-2H3,(H,27,28)(H,22,23,26)
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n/an/a 91n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103000
PNG
(CHEMBL3394102)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN4O3S/c1-13(28)25-18-12-15(8-10-24-18)21-20(14-2-4-16(23)5-3-14)26-22(27(21)17-6-7-17)31-11-9-19(29)30/h2-5,8-12,17H,6-7H2,1H3,(H,29,30)(H,24,25,28)/b11-9-
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n/an/a 123n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103004
PNG
(CHEMBL3394120)
Show SMILES COC(Cn1c(S\C=C/C(O)=O)nc(c1-c1ccnc(NC2CC2)c1)-c1ccc(F)cc1)OC
Show InChI InChI=1S/C24H25FN4O4S/c1-32-21(33-2)14-29-23(16-9-11-26-19(13-16)27-18-7-8-18)22(15-3-5-17(25)6-4-15)28-24(29)34-12-10-20(30)31/h3-6,9-13,18,21H,7-8,14H2,1-2H3,(H,26,27)(H,30,31)/b12-10-
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n/an/a 128n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103008
PNG
(CHEMBL3394105)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN4O3S/c1-16(31)28-21-15-18(11-13-27-21)24-23(17-7-9-19(26)10-8-17)29-25(34-14-12-22(32)33)30(24)20-5-3-2-4-6-20/h7-15,20H,2-6H2,1H3,(H,32,33)(H,27,28,31)/b14-12-
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n/an/a 133n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50102920
PNG
(CHEMBL3394112)
Show SMILES COC(Cn1c(SC2CCC(CC2O)C(O)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1)OC
Show InChI InChI=1S/C27H31FN4O6S/c1-15(33)30-22-13-17(10-11-29-22)25-24(16-4-7-19(28)8-5-16)31-27(32(25)14-23(37-2)38-3)39-21-9-6-18(26(35)36)12-20(21)34/h4-5,7-8,10-11,13,18,20-21,23,34H,6,9,12,14H2,1-3H3,(H,35,36)(H,29,30,33)
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n/an/a 135n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103013
PNG
(CHEMBL3394095)
Show SMILES CN(C)C(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H22FN5O2S/c1-13(28)24-17-11-15(9-10-23-17)20-19(14-5-7-16(22)8-6-14)25-21(27(20)4)30-12-18(29)26(2)3/h5-11H,12H2,1-4H3,(H,23,24,28)
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n/an/a 140n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103130
PNG
(CHEMBL3394126)
Show SMILES CCOC(=O)\C=C/Sc1nc(c([nH]1)-c1ccnc(Nc2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN4O2S/c1-2-32-22(31)13-15-33-25-29-23(17-8-10-19(26)11-9-17)24(30-25)18-12-14-27-21(16-18)28-20-6-4-3-5-7-20/h3-16H,2H2,1H3,(H,27,28)(H,29,30)/b15-13-
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n/an/a 146n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103007
PNG
(CHEMBL3394122)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN6O3S/c1-3-28-25(36)33-13-9-20(10-14-33)30-21-16-18(8-12-29-21)24-23(17-4-6-19(27)7-5-17)31-26(32(24)2)37-15-11-22(34)35/h4-8,11-12,15-16,20H,3,9-10,13-14H2,1-2H3,(H,28,36)(H,29,30)(H,34,35)/b15-11-
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n/an/a 146n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103003
PNG
(CHEMBL3394119)
Show SMILES COC(Cn1c(SCC#N)nc(c1-c1ccnc(NC2CC2)c1)-c1ccc(F)cc1)OC
Show InChI InChI=1S/C23H24FN5O2S/c1-30-20(31-2)14-29-22(16-9-11-26-19(13-16)27-18-7-8-18)21(28-23(29)32-12-10-25)15-3-5-17(24)6-4-15/h3-6,9,11,13,18,20H,7-8,12,14H2,1-2H3,(H,26,27)
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n/an/a 153n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103005
PNG
(CHEMBL3394104)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN4O3S/c1-15(30)27-20-14-17(10-12-26-20)23-22(16-6-8-18(25)9-7-16)28-24(33-13-11-21(31)32)29(23)19-4-2-3-5-19/h6-14,19H,2-5H2,1H3,(H,31,32)(H,26,27,30)/b13-11-
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n/an/a 164n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103008
PNG
(CHEMBL3394105)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN4O3S/c1-16(31)28-21-15-18(11-13-27-21)24-23(17-7-9-19(26)10-8-17)29-25(34-14-12-22(32)33)30(24)20-5-3-2-4-6-20/h7-15,20H,2-6H2,1H3,(H,32,33)(H,27,28,31)/b14-12-
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n/an/a 165n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50102917
PNG
(CHEMBL3394117)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C\C(O)=O)n1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O3S/c1-14(29)26-19-12-17(8-10-25-19)22-21(16-4-6-18(24)7-5-16)27-23(32-11-9-20(30)31)28(22)13-15-2-3-15/h4-12,15H,2-3,13H2,1H3,(H,30,31)(H,25,26,29)/b11-9+
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n/an/a 170n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103009
PNG
(CHEMBL3394111)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(SC2CCC(CC2O)C(O)=O)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C24H25FN4O4S/c1-13(30)27-20-12-15(9-10-26-20)22-21(14-3-6-17(25)7-4-14)28-24(29(22)2)34-19-8-5-16(23(32)33)11-18(19)31/h3-4,6-7,9-10,12,16,18-19,31H,5,8,11H2,1-2H3,(H,32,33)(H,26,27,30)
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n/an/a 180n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103105
PNG
(CHEMBL3394124)
Show SMILES OC(=O)\C=C\Sc1nc(c(-c2ccnc(Nc3ccccc3)c2)n1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H23FN4O2S/c28-21-10-8-19(9-11-21)25-26(20-12-14-29-23(16-20)30-22-4-2-1-3-5-22)32(17-18-6-7-18)27(31-25)35-15-13-24(33)34/h1-5,8-16,18H,6-7,17H2,(H,29,30)(H,33,34)/b15-13+
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n/an/a 181n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103002
PNG
(CHEMBL3394100)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN4O3S/c1-12(26)23-16-11-14(7-9-22-16)19-18(13-3-5-15(21)6-4-13)24-20(25(19)2)29-10-8-17(27)28/h3-11H,1-2H3,(H,27,28)(H,22,23,26)/b10-8-
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n/an/a 191n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103012
PNG
(CHEMBL3394094)
Show SMILES COC(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O3S/c1-12(26)23-16-10-14(8-9-22-16)19-18(13-4-6-15(21)7-5-13)24-20(25(19)2)29-11-17(27)28-3/h4-10H,11H2,1-3H3,(H,22,23,26)
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n/an/a 199n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50102917
PNG
(CHEMBL3394117)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C\C(O)=O)n1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O3S/c1-14(29)26-19-12-17(8-10-25-19)22-21(16-4-6-18(24)7-5-16)27-23(32-11-9-20(30)31)28(22)13-15-2-3-15/h4-12,15H,2-3,13H2,1H3,(H,30,31)(H,25,26,29)/b11-9+
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n/an/a 208n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103001
PNG
(CHEMBL3394103)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1C1CCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O3S/c1-14(29)26-19-13-16(9-11-25-19)22-21(15-5-7-17(24)8-6-15)27-23(32-12-10-20(30)31)28(22)18-3-2-4-18/h5-13,18H,2-4H2,1H3,(H,30,31)(H,25,26,29)/b12-10-
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n/an/a 211n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103105
PNG
(CHEMBL3394124)
Show SMILES OC(=O)\C=C\Sc1nc(c(-c2ccnc(Nc3ccccc3)c2)n1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H23FN4O2S/c28-21-10-8-19(9-11-21)25-26(20-12-14-29-23(16-20)30-22-4-2-1-3-5-22)32(17-18-6-7-18)27(31-25)35-15-13-24(33)34/h1-5,8-16,18H,6-7,17H2,(H,29,30)(H,33,34)/b15-13+
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n/an/a 213n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103010
PNG
(CHEMBL3394108)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC1CCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H23FN4O4S/c1-15(30)27-20-13-17(8-10-26-20)23-22(16-4-6-18(25)7-5-16)28-24(34-12-9-21(31)32)29(23)14-19-3-2-11-33-19/h4-10,12-13,19H,2-3,11,14H2,1H3,(H,31,32)(H,26,27,30)/b12-9-
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n/an/a 223n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50103011
PNG
(CHEMBL3394109)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(S\C=C/C(O)=O)n1CC(O)CO)-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN4O5S/c1-13(29)25-18-10-15(6-8-24-18)21-20(14-2-4-16(23)5-3-14)26-22(33-9-7-19(31)32)27(21)11-17(30)12-28/h2-10,17,28,30H,11-12H2,1H3,(H,31,32)(H,24,25,29)/b9-7-
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n/an/a 226n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50102913
PNG
(CHEMBL3394098)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(SCCC(O)=O)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O3S/c1-12(26)23-16-11-14(7-9-22-16)19-18(13-3-5-15(21)6-4-13)24-20(25(19)2)29-10-8-17(27)28/h3-7,9,11H,8,10H2,1-2H3,(H,27,28)(H,22,23,26)
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n/an/a 246n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50102919
PNG
(CHEMBL3394097)
Show SMILES CC(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O2S/c1-12(26)11-28-20-24-18(14-4-6-16(21)7-5-14)19(25(20)3)15-8-9-22-17(10-15)23-13(2)27/h4-10H,11H2,1-3H3,(H,22,23,27)
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n/an/a 255n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50102998
PNG
(CHEMBL3394096)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(SCC(O)=O)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4O3S/c1-11(25)22-15-9-13(7-8-21-15)18-17(12-3-5-14(20)6-4-12)23-19(24(18)2)28-10-16(26)27/h3-9H,10H2,1-2H3,(H,26,27)(H,21,22,25)
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n/an/a 266n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50102914
PNG
(CHEMBL3394099)
Show SMILES COC(Cn1c(SCCC(O)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1)OC
Show InChI InChI=1S/C23H25FN4O5S/c1-14(29)26-18-12-16(8-10-25-18)22-21(15-4-6-17(24)7-5-15)27-23(34-11-9-19(30)31)28(22)13-20(32-2)33-3/h4-8,10,12,20H,9,11,13H2,1-3H3,(H,30,31)(H,25,26,29)
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n/an/a 269n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103012
PNG
(CHEMBL3394094)
Show SMILES COC(=O)CSc1nc(c(-c2ccnc(NC(C)=O)c2)n1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O3S/c1-12(26)23-16-10-14(8-9-22-16)19-18(13-4-6-15(21)7-5-13)24-20(25(19)2)29-11-17(27)28-3/h4-10H,11H2,1-3H3,(H,22,23,26)
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n/an/a 297n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50102997
PNG
(CHEMBL3394101)
Show SMILES COC(Cn1c(S\C=C/C(O)=O)nc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1)OC
Show InChI InChI=1S/C23H23FN4O5S/c1-14(29)26-18-12-16(8-10-25-18)22-21(15-4-6-17(24)7-5-15)27-23(34-11-9-19(30)31)28(22)13-20(32-2)33-3/h4-12,20H,13H2,1-3H3,(H,30,31)(H,25,26,29)/b11-9-
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n/an/a 335n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50103103
PNG
(CHEMBL3394123)
Show SMILES OC(=O)\C=C/Sc1nc(c(-c2ccnc(Nc3ccccc3)c2)n1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H23FN4O2S/c28-21-10-8-19(9-11-21)25-26(20-12-14-29-23(16-20)30-22-4-2-1-3-5-22)32(17-18-6-7-18)27(31-25)35-15-13-24(33)34/h1-5,8-16,18H,6-7,17H2,(H,29,30)(H,33,34)/b15-13-
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n/an/a 354n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50102918
PNG
(CHEMBL3394118)
Show SMILES CC(=O)Nc1cc(ccn1)-c1c(nc(Sc2cccc(I)n2)n1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FIN5OS/c1-17(35)31-23-16-19(14-15-30-23)26-25(18-10-12-20(28)13-11-18)33-27(34(26)21-6-3-2-4-7-21)36-24-9-5-8-22(29)32-24/h5,8-16,21H,2-4,6-7H2,1H3,(H,30,31,35)
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n/an/a 356n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA


J Med Chem 58: 443-56 (2015)


Article DOI: 10.1021/jm501557a
BindingDB Entry DOI: 10.7270/Q2RN39MX
More data for this
Ligand-Target Pair
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