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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'heider' and Initial = 'f'   
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))
BDBM50524536
PNG
(CHEMBL4452170)
Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c(SCc3ccccc3)nc2-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H22F2N4OS/c30-23-10-6-19(7-11-23)16-26(36)33-25-17-22(14-15-32-25)28-27(21-8-12-24(31)13-9-21)34-29(35-28)37-18-20-4-2-1-3-5-20/h1-15,17H,16,18H2,(H,34,35)(H,32,33,36)
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n/an/a 3n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50503017
PNG
(CHEMBL4483032)
Show SMILES NC(=O)c1nc(C2CC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C16H17N5O2/c17-14(22)15-20-12(8-1-2-8)13(21-15)10-5-6-18-11(7-10)19-16(23)9-3-4-9/h5-9H,1-4H2,(H2,17,22)(H,20,21)(H,18,19,23)
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n/an/a 3n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50503009
PNG
(CHEMBL4526183)
Show SMILES NC(=O)c1nc(C2CCCCC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C19H23N5O2/c20-17(25)18-23-15(11-4-2-1-3-5-11)16(24-18)13-8-9-21-14(10-13)22-19(26)12-6-7-12/h8-12H,1-7H2,(H2,20,25)(H,23,24)(H,21,22,26)
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n/an/a 3n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50503015
PNG
(CHEMBL4457174)
Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C20H19FN4O/c1-11-9-14(5-6-16(11)21)18-19(24-12(2)23-18)15-7-8-22-17(10-15)25-20(26)13-3-4-13/h5-10,13H,3-4H2,1-2H3,(H,23,24)(H,22,25,26)
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n/an/a 7n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50502999
PNG
(CHEMBL4561980)
Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1O
Show InChI InChI=1S/C19H18N4O2/c1-11-21-17(18(22-11)14-4-2-3-5-15(14)24)13-8-9-20-16(10-13)23-19(25)12-6-7-12/h2-5,8-10,12,24H,6-7H2,1H3,(H,21,22)(H,20,23,25)
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n/an/a 11n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524531
PNG
(CHEMBL4513323)
Show SMILES COc1cc(CC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)cc(OC)c1OC
Show InChI InChI=1S/C26H25FN4O4S/c1-33-19-11-15(12-20(34-2)25(19)35-3)13-22(32)29-21-14-17(9-10-28-21)24-23(30-26(31-24)36-4)16-5-7-18(27)8-6-16/h5-12,14H,13H2,1-4H3,(H,30,31)(H,28,29,32)
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n/an/a 13n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50503022
PNG
(CHEMBL4445449)
Show SMILES Cc1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)C(N)=O
Show InChI InChI=1S/C14H15N5O2/c1-7-11(19-13(17-7)12(15)20)9-4-5-16-10(6-9)18-14(21)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,15,20)(H,17,19)(H,16,18,21)
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n/an/a 13n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524523
PNG
(CHEMBL4446519)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NCC2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN4S/c1-25-19-23-17(13-4-6-15(20)7-5-13)18(24-19)14-8-9-21-16(10-14)22-11-12-2-3-12/h4-10,12H,2-3,11H2,1H3,(H,21,22)(H,23,24)
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n/an/a 14n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524519
PNG
(CHEMBL4434855)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)CC2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4OS/c1-27-20-24-18(13-4-6-15(21)7-5-13)19(25-20)14-8-9-22-16(11-14)23-17(26)10-12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H,24,25)(H,22,23,26)
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n/an/a 15n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524518
PNG
(CHEMBL4442468)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H21FN4OS/c1-32-25-29-22(16-7-9-18(26)10-8-16)23(30-25)17-11-12-27-21(13-17)28-24(31)20-14-19(20)15-5-3-2-4-6-15/h2-13,19-20H,14H2,1H3,(H,29,30)(H,27,28,31)/t19-,20+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524537
PNG
(CHEMBL4536012)
Show SMILES CCc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O/c1-2-16-23-18(12-5-7-15(21)8-6-12)19(24-16)14-9-10-22-17(11-14)25-20(26)13-3-4-13/h5-11,13H,2-4H2,1H3,(H,23,24)(H,22,25,26)
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n/an/a 16n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50503011
PNG
(CHEMBL4461695)
Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O2/c21-13-4-3-10(7-12(13)20(22,23)24)15-16(29-18(28-15)17(25)30)11-5-6-26-14(8-11)27-19(31)9-1-2-9/h3-9H,1-2H2,(H2,25,30)(H,28,29)(H,26,27,31)
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n/an/a 16n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50502996
PNG
(CHEMBL4451444)
Show SMILES OCc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4O2/c20-14-5-3-11(4-6-14)17-18(23-16(10-25)22-17)13-7-8-21-15(9-13)24-19(26)12-1-2-12/h3-9,12,25H,1-2,10H2,(H,22,23)(H,21,24,26)
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n/an/a 16n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524521
PNG
(CHEMBL4446355)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)[C@@H]2C[C@H](Cl)C2)c1)-c1ccc(F)cc1 |r,wU:15.15,17.18,(80.61,-5.18,;79.85,-6.51,;78.31,-6.51,;77.56,-5.17,;76.05,-5.47,;75.87,-7,;77.27,-7.65,;74.53,-7.76,;73.21,-6.97,;71.86,-7.72,;71.85,-9.27,;73.18,-10.05,;73.17,-11.59,;74.5,-12.37,;74.48,-13.91,;75.84,-11.61,;77.31,-12.02,;77.72,-10.54,;79.06,-9.78,;76.24,-10.13,;74.52,-9.29,;74.92,-4.44,;75.26,-2.93,;74.13,-1.89,;72.65,-2.35,;71.52,-1.31,;72.32,-3.86,;73.45,-4.9,)|
Show InChI InChI=1S/C20H18ClFN4OS/c1-28-20-25-17(11-2-4-15(22)5-3-11)18(26-20)12-6-7-23-16(10-12)24-19(27)13-8-14(21)9-13/h2-7,10,13-14H,8-9H2,1H3,(H,25,26)(H,23,24,27)/t13-,14+
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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 p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50524514
PNG
(CHEMBL4474903)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4OS/c1-26-19-23-16(11-4-6-14(20)7-5-11)17(24-19)13-8-9-21-15(10-13)22-18(25)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,24)(H,21,22,25)
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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
Competitive inhibition of human recombinant full length GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated with enzyme for 10 min...


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524538
PNG
(CHEMBL4476724)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C25H21FN4O/c26-20-10-8-17(9-11-20)23-24(29-22(28-23)14-16-4-2-1-3-5-16)19-12-13-27-21(15-19)30-25(31)18-6-7-18/h1-5,8-13,15,18H,6-7,14H2,(H,28,29)(H,27,30,31)
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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 p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524529
PNG
(CHEMBL4476843)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)-c1ccco1
Show InChI InChI=1S/C22H17FN4O2/c23-16-7-5-13(6-8-16)19-20(27-21(26-19)17-2-1-11-29-17)15-9-10-24-18(12-15)25-22(28)14-3-4-14/h1-2,5-12,14H,3-4H2,(H,26,27)(H,24,25,28)
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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 p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50502992
PNG
(CHEMBL4452444)
Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FN5O2/c20-13-5-3-10(4-6-13)15-16(25-18(24-15)17(21)26)12-7-8-22-14(9-12)23-19(27)11-1-2-11/h3-9,11H,1-2H2,(H2,21,26)(H,24,25)(H,22,23,27)
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n/an/a 19n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin) by ELISA


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524541
PNG
(CHEMBL4457096)
Show SMILES Fc1ccc(cc1)-c1nc[nH]c1-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C18H15FN4O/c19-14-5-3-11(4-6-14)16-17(22-10-21-16)13-7-8-20-15(9-13)23-18(24)12-1-2-12/h3-10,12H,1-2H2,(H,21,22)(H,20,23,24)
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n/an/a 19n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524527
PNG
(CHEMBL4455711)
Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4O/c1-11-22-17(12-4-6-15(20)7-5-12)18(23-11)14-8-9-21-16(10-14)24-19(25)13-2-3-13/h4-10,13H,2-3H2,1H3,(H,22,23)(H,21,24,25)
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n/an/a 19n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50502994
PNG
(CHEMBL4474740)
Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H16F2N4O/c1-10-23-17(12-4-5-14(20)15(21)8-12)18(24-10)13-6-7-22-16(9-13)25-19(26)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,23,24)(H,22,25,26)
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n/an/a 19n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524532
PNG
(CHEMBL4458096)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC(=O)C2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN4O2S/c1-28-20-24-17(11-2-4-14(21)5-3-11)18(25-20)12-6-7-22-16(10-12)23-19(27)13-8-15(26)9-13/h2-7,10,13H,8-9H2,1H3,(H,24,25)(H,22,23,27)
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n/an/a 20n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524535
PNG
(CHEMBL4437018)
Show SMILES Fc1ccc(cc1)-c1nc(SCc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CCCC2)c1
Show InChI InChI=1S/C27H25FN4OS/c28-22-12-10-19(11-13-22)24-25(32-27(31-24)34-17-18-6-2-1-3-7-18)21-14-15-29-23(16-21)30-26(33)20-8-4-5-9-20/h1-3,6-7,10-16,20H,4-5,8-9,17H2,(H,31,32)(H,29,30,33)
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n/an/a 20n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524506
PNG
(CHEMBL4473730)
Show SMILES Fc1ccc(cc1)-c1nc(CCc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C26H23FN4O/c27-21-11-9-18(10-12-21)24-25(30-22(29-24)13-6-17-4-2-1-3-5-17)20-14-15-28-23(16-20)31-26(32)19-7-8-19/h1-5,9-12,14-16,19H,6-8,13H2,(H,29,30)(H,28,31,32)
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n/an/a 20n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524509
PNG
(CHEMBL4571942)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CCC(=O)C2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H19FN4O2S/c1-29-21-25-18(12-2-5-15(22)6-3-12)19(26-21)13-8-9-23-17(11-13)24-20(28)14-4-7-16(27)10-14/h2-3,5-6,8-9,11,14H,4,7,10H2,1H3,(H,25,26)(H,23,24,28)
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n/an/a 21n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524511
PNG
(CHEMBL4555253)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)c2ccoc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15FN4O2S/c1-28-20-24-17(12-2-4-15(21)5-3-12)18(25-20)13-6-8-22-16(10-13)23-19(26)14-7-9-27-11-14/h2-11H,1H3,(H,24,25)(H,22,23,26)
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n/an/a 22n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50503010
PNG
(CHEMBL4475312)
Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1O
Show InChI InChI=1S/C19H17N5O3/c20-17(26)18-23-15(16(24-18)12-3-1-2-4-13(12)25)11-7-8-21-14(9-11)22-19(27)10-5-6-10/h1-4,7-10,25H,5-6H2,(H2,20,26)(H,23,24)(H,21,22,27)
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n/an/a 23n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524533
PNG
(CHEMBL4566059)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)CN2CCCC2=O)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN5O2S/c1-30-21-25-19(13-4-6-15(22)7-5-13)20(26-21)14-8-9-23-16(11-14)24-17(28)12-27-10-2-3-18(27)29/h4-9,11H,2-3,10,12H2,1H3,(H,25,26)(H,23,24,28)
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n/an/a 23n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524514
PNG
(CHEMBL4474903)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4OS/c1-26-19-23-16(11-4-6-14(20)7-5-11)17(24-19)13-8-9-21-15(10-13)22-18(25)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,24)(H,21,22,25)
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n/an/a 24n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50502997
PNG
(CHEMBL4514346)
Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1cccc(O)c1
Show InChI InChI=1S/C19H18N4O2/c1-11-21-17(13-3-2-4-15(24)9-13)18(22-11)14-7-8-20-16(10-14)23-19(25)12-5-6-12/h2-4,7-10,12,24H,5-6H2,1H3,(H,21,22)(H,20,23,25)
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n/an/a 24n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524507
PNG
(CHEMBL4518955)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)CCc2ccc(cc2)C(F)(F)F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20F4N4OS/c1-35-24-32-22(16-5-9-19(26)10-6-16)23(33-24)17-12-13-30-20(14-17)31-21(34)11-4-15-2-7-18(8-3-15)25(27,28)29/h2-3,5-10,12-14H,4,11H2,1H3,(H,32,33)(H,30,31,34)
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n/an/a 27n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524539
PNG
(CHEMBL4561291)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CCC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4OS/c1-27-20-24-17(12-5-7-15(21)8-6-12)18(25-20)14-9-10-22-16(11-14)23-19(26)13-3-2-4-13/h5-11,13H,2-4H2,1H3,(H,24,25)(H,22,23,26)
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n/an/a 27n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524528
PNG
(CHEMBL4568095)
Show SMILES Fc1ccc(cc1)-c1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1
Show InChI InChI=1S/C24H19FN4O/c25-19-10-8-15(9-11-19)21-22(29-23(28-21)16-4-2-1-3-5-16)18-12-13-26-20(14-18)27-24(30)17-6-7-17/h1-5,8-14,17H,6-7H2,(H,28,29)(H,26,27,30)
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n/an/a 27n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524540
PNG
(CHEMBL4441042)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CCCO2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O2S/c1-28-20-24-17(12-4-6-14(21)7-5-12)18(25-20)13-8-9-22-16(11-13)23-19(26)15-3-2-10-27-15/h4-9,11,15H,2-3,10H2,1H3,(H,24,25)(H,22,23,26)
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Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524526
PNG
(CHEMBL4449570)
Show SMILES C[S+]([O-])c1nc(c([nH]1)-c1ccnc(NC(=O)C2CCC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O2S/c1-28(27)20-24-17(12-5-7-15(21)8-6-12)18(25-20)14-9-10-22-16(11-14)23-19(26)13-3-2-4-13/h5-11,13H,2-4H2,1H3,(H,24,25)(H,22,23,26)
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n/an/a 29n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524516
PNG
(CHEMBL4555766)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)Cc2ccc(cc2)C(F)(F)F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H18F4N4OS/c1-34-23-31-21(15-4-8-18(25)9-5-15)22(32-23)16-10-11-29-19(13-16)30-20(33)12-14-2-6-17(7-3-14)24(26,27)28/h2-11,13H,12H2,1H3,(H,31,32)(H,29,30,33)
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Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50503004
PNG
(CHEMBL4518273)
Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H18N4O3/c1-11-22-18(13-4-5-15-16(8-13)27-10-26-15)19(23-11)14-6-7-21-17(9-14)24-20(25)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,22,23)(H,21,24,25)
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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 MAPK (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50524537
PNG
(CHEMBL4536012)
Show SMILES CCc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O/c1-2-16-23-18(12-5-7-15(21)8-6-12)19(24-16)14-9-10-22-17(11-14)25-20(26)13-3-4-13/h5-11,13H,2-4H2,1H3,(H,23,24)(H,22,25,26)
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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
Competitive inhibition of human recombinant full length GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated with enzyme for 10 min...


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524508
PNG
(CHEMBL4592870)
Show SMILES COc1cccc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H23FN4O2S/c1-32-20-5-3-4-16(14-20)6-11-22(31)28-21-15-18(12-13-27-21)24-23(29-25(30-24)33-2)17-7-9-19(26)10-8-17/h3-5,7-10,12-15H,6,11H2,1-2H3,(H,29,30)(H,27,28,31)
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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 MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524520
PNG
(CHEMBL4435922)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)[C@H]2C[C@H](Cl)C2)c1)-c1ccc(F)cc1 |r,wU:15.15,wD:17.18,(60.15,-5.52,;59.38,-6.85,;57.85,-6.86,;57.09,-5.51,;55.58,-5.82,;55.4,-7.35,;56.8,-7.99,;54.07,-8.1,;52.74,-7.31,;51.4,-8.07,;51.38,-9.61,;52.72,-10.39,;52.7,-11.93,;54.03,-12.71,;54.02,-14.25,;55.37,-11.95,;55.77,-10.47,;57.26,-10.88,;58.6,-10.12,;56.85,-12.37,;54.05,-9.63,;54.45,-4.78,;54.79,-3.28,;53.66,-2.23,;52.19,-2.69,;51.05,-1.65,;51.85,-4.21,;52.99,-5.24,)|
Show InChI InChI=1S/C20H18ClFN4OS/c1-28-20-25-17(11-2-4-15(22)5-3-11)18(26-20)12-6-7-23-16(10-12)24-19(27)13-8-14(21)9-13/h2-7,10,13-14H,8-9H2,1H3,(H,25,26)(H,23,24,27)/t13-,14-
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n/an/a 38n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50503005
PNG
(CHEMBL4466208)
Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cnnn2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN8O/c1-12-23-18(13-2-4-15(20)5-3-13)19(24-12)14-6-8-21-16(10-14)25-17(29)7-9-28-11-22-26-27-28/h2-6,8,10-11H,7,9H2,1H3,(H,23,24)(H,21,25,29)
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n/an/a 38n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50502992
PNG
(CHEMBL4452444)
Show SMILES NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FN5O2/c20-13-5-3-10(4-6-13)15-16(25-18(24-15)17(21)26)12-7-8-22-14(9-12)23-19(27)11-1-2-11/h3-9,11H,1-2H2,(H2,21,26)(H,24,25)(H,22,23,27)
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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 GSK3beta (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524530
PNG
(CHEMBL4574237)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CCCC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4OS/c1-28-21-25-18(13-6-8-16(22)9-7-13)19(26-21)15-10-11-23-17(12-15)24-20(27)14-4-2-3-5-14/h6-12,14H,2-5H2,1H3,(H,25,26)(H,23,24,27)
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n/an/a 40n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50502995
PNG
(CHEMBL4557420)
Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cncn2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN7O/c1-13-25-19(14-2-4-16(21)5-3-14)20(26-13)15-6-8-23-17(10-15)27-18(29)7-9-28-12-22-11-24-28/h2-6,8,10-12H,7,9H2,1H3,(H,25,26)(H,23,27,29)
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n/an/a 41n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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n/an/a 41n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524505
PNG
(CHEMBL4546015)
Show SMILES Fc1ccc(cc1)-c1nc(SCc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C25H21FN4OS/c26-20-10-8-17(9-11-20)22-23(30-25(29-22)32-15-16-4-2-1-3-5-16)19-12-13-27-21(14-19)28-24(31)18-6-7-18/h1-5,8-14,18H,6-7,15H2,(H,29,30)(H,27,28,31)
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n/an/a 41n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524522
PNG
(CHEMBL4475119)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(=O)c2ccccn2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN5OS/c1-29-21-26-18(13-5-7-15(22)8-6-13)19(27-21)14-9-11-24-17(12-14)25-20(28)16-4-2-3-10-23-16/h2-12H,1H3,(H,26,27)(H,24,25,28)
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n/an/a 42n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50502997
PNG
(CHEMBL4514346)
Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1cccc(O)c1
Show InChI InChI=1S/C19H18N4O2/c1-11-21-17(13-3-2-4-15(24)9-13)18(22-11)14-7-8-20-16(10-14)23-19(25)12-5-6-12/h2-4,7-10,12,24H,5-6H2,1H3,(H,21,22)(H,20,23,25)
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n/an/a 43n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) by ADP-Glo assay


ACS Med Chem Lett 10: 1407-1414 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00177
BindingDB Entry DOI: 10.7270/Q2SQ93N5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50524512
PNG
(CHEMBL4589431)
Show SMILES C[S+]([O-])c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4O2S/c1-27(26)19-23-16(11-4-6-14(20)7-5-11)17(24-19)13-8-9-21-15(10-13)22-18(25)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,24)(H,21,22,25)
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n/an/a 44n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50343498
PNG
(CHEMBL1773425 | N-(4-(4-(4-Fluorophenyl)-2-(methyl...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C17H15FN4OS/c1-10(23)20-14-9-12(7-8-19-14)16-15(21-17(22-16)24-2)11-3-5-13(18)6-4-11/h3-9H,1-2H3,(H,21,22)(H,19,20,23)
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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 p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA


Eur J Med Chem 175: 309-329 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.035
BindingDB Entry DOI: 10.7270/Q29C71T1
More data for this
Ligand-Target Pair
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