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Compile Data Set for Download or QSAR

Found 180 hits from Eberhard-Karls-University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50300884
PNG
((E)-3-(2,4-Dimethoxy-phenyl)-N-(4-[5-(4-fluoro-phe...)
Show SMILES COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc(SC)[nH]c2-c2ccc(F)cc2)c(OC)c1
Show InChI InChI=1S/C26H23FN4O3S/c1-33-20-10-6-16(21(15-20)34-2)7-11-23(32)29-22-14-18(12-13-28-22)25-24(30-26(31-25)35-3)17-4-8-19(27)9-5-17/h4-15H,1-3H3,(H,30,31)(H,28,29,32)
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n/an/a 4n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CK1delta kinase domain by Cherenkov counting


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM50300884
PNG
((E)-3-(2,4-Dimethoxy-phenyl)-N-(4-[5-(4-fluoro-phe...)
Show SMILES COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc(SC)[nH]c2-c2ccc(F)cc2)c(OC)c1
Show InChI InChI=1S/C26H23FN4O3S/c1-33-20-10-6-16(21(15-20)34-2)7-11-23(32)29-22-14-18(12-13-28-22)25-24(30-26(31-25)35-3)17-4-8-19(27)9-5-17/h4-15H,1-3H3,(H,30,31)(H,28,29,32)
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n/an/a 5n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused rat CK1delta by Cherenkov counting in presence of 20 uM ATP


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392190
PNG
(CHEMBL2152960)
Show SMILES OC[C@H](O)COc1ccc2c(CCc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1
Show InChI InChI=1S/C24H21F2NO4/c25-16-3-8-23(22(26)11-16)27-17-4-6-20-14(9-17)1-2-15-10-19(31-13-18(29)12-28)5-7-21(15)24(20)30/h3-11,18,27-29H,1-2,12-13H2/t18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50300893
PNG
((E)-3-(2,4-Dimethoxy-phenyl)-N-(4-[5-(4-fluoro-phe...)
Show SMILES COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc([nH]c2-c2ccc(F)cc2)S(C)=O)c(OC)c1
Show InChI InChI=1S/C26H23FN4O4S/c1-34-20-10-6-16(21(15-20)35-2)7-11-23(32)29-22-14-18(12-13-28-22)25-24(30-26(31-25)36(3)33)17-4-8-19(27)9-5-17/h4-15H,1-3H3,(H,30,31)(H,28,29,32)
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n/an/a 5n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CK1delta kinase domain by Cherenkov counting


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392175
PNG
(CHEMBL2152944)
Show SMILES OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50300888
PNG
((S)-4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl...)
Show SMILES CC(C)c1onc(c1-c1ccnc(N[C@@H](C)c2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24FN3O/c1-16(2)25-23(24(29-30-25)19-9-11-21(26)12-10-19)20-13-14-27-22(15-20)28-17(3)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,27,28)/t17-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by Cherenkov counting


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392177
PNG
(CHEMBL2152946)
Show SMILES OC[C@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392181
PNG
(CHEMBL2152950)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCCN5CCOCC5)cc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C28H28F2N2O3/c29-21-5-9-27(26(30)17-21)31-22-6-8-24-20(16-22)3-2-19-4-7-23(18-25(19)28(24)33)35-13-1-10-32-11-14-34-15-12-32/h4-9,16-18,31H,1-3,10-15H2
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n/an/a 8n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392172
PNG
(CHEMBL2152941)
Show SMILES OCCCOc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H21F2NO3/c25-17-5-9-23(22(26)13-17)27-18-6-8-20-16(12-18)3-2-15-4-7-19(30-11-1-10-28)14-21(15)24(20)29/h4-9,12-14,27-28H,1-3,10-11H2
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n/an/a 8n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392169
PNG
(CHEMBL2152938)
Show SMILES Nc1ccccc1Nc1ccc2c(CCc3ccc(OC[C@@H](O)CO)cc3C2=O)c1
Show InChI InChI=1S/C24H24N2O4/c25-22-3-1-2-4-23(22)26-17-8-10-20-16(11-17)6-5-15-7-9-19(12-21(15)24(20)29)30-14-18(28)13-27/h1-4,7-12,18,26-28H,5-6,13-14,25H2/t18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392179
PNG
(CHEMBL2152948)
Show SMILES OC[C@H](O)CCOc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C25H23F2NO4/c26-17-4-8-24(23(27)12-17)28-18-5-7-21-16(11-18)2-1-15-3-6-20(13-22(15)25(21)31)32-10-9-19(30)14-29/h3-8,11-13,19,28-30H,1-2,9-10,14H2/t19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392180
PNG
(CHEMBL2152949)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C27H26F2N2O3/c28-20-4-8-26(25(29)16-20)30-21-5-7-23-19(15-21)2-1-18-3-6-22(17-24(18)27(23)32)34-14-11-31-9-12-33-13-10-31/h3-8,15-17,30H,1-2,9-14H2
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n/an/a 10n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392178
PNG
(CHEMBL2152947)
Show SMILES CC1(C)OC[C@@H](CCOc2ccc3CCc4cc(Nc5ccc(F)cc5F)ccc4C(=O)c3c2)O1
Show InChI InChI=1S/C28H27F2NO4/c1-28(2)34-16-22(35-28)11-12-33-21-8-5-17-3-4-18-13-20(7-9-23(18)27(32)24(17)15-21)31-26-10-6-19(29)14-25(26)30/h5-10,13-15,22,31H,3-4,11-12,16H2,1-2H3/t22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392171
PNG
(CHEMBL2152940)
Show SMILES OCCOc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C23H19F2NO3/c24-16-4-8-22(21(25)12-16)26-17-5-7-19-15(11-17)2-1-14-3-6-18(29-10-9-27)13-20(14)23(19)28/h3-8,11-13,26-27H,1-2,9-10H2
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n/an/a 10n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM50300893
PNG
((E)-3-(2,4-Dimethoxy-phenyl)-N-(4-[5-(4-fluoro-phe...)
Show SMILES COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc([nH]c2-c2ccc(F)cc2)S(C)=O)c(OC)c1
Show InChI InChI=1S/C26H23FN4O4S/c1-34-20-10-6-16(21(15-20)35-2)7-11-23(32)29-22-14-18(12-13-28-22)25-24(30-26(31-25)36(3)33)17-4-8-19(27)9-5-17/h4-15H,1-3H3,(H,30,31)(H,28,29,32)
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n/an/a 11n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused rat CK1delta by Cherenkov counting in presence of 20 uM ATP


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50300884
PNG
((E)-3-(2,4-Dimethoxy-phenyl)-N-(4-[5-(4-fluoro-phe...)
Show SMILES COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc(SC)[nH]c2-c2ccc(F)cc2)c(OC)c1
Show InChI InChI=1S/C26H23FN4O3S/c1-33-20-10-6-16(21(15-20)34-2)7-11-23(32)29-22-14-18(12-13-28-22)25-24(30-26(31-25)35-3)17-4-8-19(27)9-5-17/h4-15H,1-3H3,(H,30,31)(H,28,29,32)
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n/an/a 19n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by Cherenkov counting


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392196
PNG
(CHEMBL2152966)
Show SMILES Oc1cccc2c1CCc1cc(Nc3ccc(F)cc3F)ccc1C2=O
Show InChI InChI=1S/C21H15F2NO2/c22-13-5-9-19(18(23)11-13)24-14-6-8-15-12(10-14)4-7-16-17(21(15)26)2-1-3-20(16)25/h1-3,5-6,8-11,24-25H,4,7H2
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n/an/a 20n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392167
PNG
(CHEMBL2152936)
Show SMILES Nc1ccccc1Nc1ccc2c(CCc3ccc(OC[C@H](O)CO)cc3C2=O)c1
Show InChI InChI=1S/C24H24N2O4/c25-22-3-1-2-4-23(22)26-17-8-10-20-16(11-17)6-5-15-7-9-19(12-21(15)24(20)29)30-14-18(28)13-27/h1-4,7-12,18,26-28H,5-6,13-14,25H2/t18-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392161
PNG
(CHEMBL2152793)
Show SMILES Oc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C21H15F2NO2/c22-14-4-8-20(19(23)10-14)24-15-5-7-17-13(9-15)2-1-12-3-6-16(25)11-18(12)21(17)26/h3-11,24-25H,1-2H2
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n/an/a 20n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392184
PNG
(CHEMBL2152954)
Show SMILES COc1ccc2c(CCc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1
Show InChI InChI=1S/C22H17F2NO2/c1-27-17-6-8-19-14(11-17)3-2-13-10-16(5-7-18(13)22(19)26)25-21-9-4-15(23)12-20(21)24/h4-12,25H,2-3H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392191
PNG
(CHEMBL2152961)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4cc(OCCN5CCOCC5)ccc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C27H26F2N2O3/c28-20-3-8-26(25(29)17-20)30-21-4-6-23-18(15-21)1-2-19-16-22(5-7-24(19)27(23)32)34-14-11-31-9-12-33-13-10-31/h3-8,15-17,30H,1-2,9-14H2
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n/an/a 20n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392198
PNG
(CHEMBL2152969)
Show SMILES OC[C@@H](O)COc1cccc2c1CCc1cc(Nc3ccc(F)cc3F)ccc1C2=O
Show InChI InChI=1S/C24H21F2NO4/c25-15-5-9-22(21(26)11-15)27-16-6-8-18-14(10-16)4-7-19-20(24(18)30)2-1-3-23(19)31-13-17(29)12-28/h1-3,5-6,8-11,17,27-29H,4,7,12-13H2/t17-/m1/s1
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Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392187
PNG
(CHEMBL2152957)
Show SMILES CC1(C)OC[C@H](COc2ccc3c(CCc4cc(Nc5ccc(F)cc5F)ccc4C3=O)c2)O1
Show InChI InChI=1S/C27H25F2NO4/c1-27(2)33-15-21(34-27)14-32-20-7-9-23-17(12-20)4-3-16-11-19(6-8-22(16)26(23)31)30-25-10-5-18(28)13-24(25)29/h5-13,21,30H,3-4,14-15H2,1-2H3/t21-/m0/s1
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Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392148
PNG
(CHEMBL2152778)
Show SMILES COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C22H17F2NO2/c1-27-17-7-4-13-2-3-14-10-16(6-8-18(14)22(26)19(13)12-17)25-21-9-5-15(23)11-20(21)24/h4-12,25H,2-3H2,1H3
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Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392174
PNG
(CHEMBL2152943)
Show SMILES CC1(C)OC[C@H](COc2ccc3CCc4cc(Nc5ccc(F)cc5F)ccc4C(=O)c3c2)O1
Show InChI InChI=1S/C27H25F2NO4/c1-27(2)33-15-21(34-27)14-32-20-8-5-16-3-4-17-11-19(7-9-22(17)26(31)23(16)13-20)30-25-10-6-18(28)12-24(25)29/h5-13,21,30H,3-4,14-15H2,1-2H3/t21-/m0/s1
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Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392185
PNG
(CHEMBL2152955)
Show SMILES OCCOc1ccc2c(CCc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1
Show InChI InChI=1S/C23H19F2NO3/c24-16-3-8-22(21(25)13-16)26-17-4-6-19-14(11-17)1-2-15-12-18(29-10-9-27)5-7-20(15)23(19)28/h3-8,11-13,26-27H,1-2,9-10H2
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Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392199
PNG
(CHEMBL2152970)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4c(OCCN5CCOCC5)cccc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C27H26F2N2O3/c28-19-5-9-25(24(29)17-19)30-20-6-8-21-18(16-20)4-7-22-23(27(21)32)2-1-3-26(22)34-15-12-31-10-13-33-14-11-31/h1-3,5-6,8-9,16-17,30H,4,7,10-15H2
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n/an/a 30n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392194
PNG
(CHEMBL2152964)
Show SMILES Nc1ccccc1Nc1ccc2c(CCc3cc(OC[C@H](O)CO)ccc3C2=O)c1
Show InChI InChI=1S/C24H24N2O4/c25-22-3-1-2-4-23(22)26-17-7-9-20-15(11-17)5-6-16-12-19(30-14-18(28)13-27)8-10-21(16)24(20)29/h1-4,7-12,18,26-28H,5-6,13-14,25H2/t18-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392186
PNG
(CHEMBL2152956)
Show SMILES OCCCOc1ccc2c(CCc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1
Show InChI InChI=1S/C24H21F2NO3/c25-17-4-9-23(22(26)14-17)27-18-5-7-20-15(12-18)2-3-16-13-19(30-11-1-10-28)6-8-21(16)24(20)29/h4-9,12-14,27-28H,1-3,10-11H2
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n/an/a 30n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50300885
PNG
(CHEMBL569551 | N-sec-butyl-4-(3-(4-fluorophenyl)-5...)
Show SMILES CCC(C)Nc1cc(ccn1)-c1c(noc1C(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O/c1-5-14(4)24-18-12-16(10-11-23-18)19-20(25-26-21(19)13(2)3)15-6-8-17(22)9-7-15/h6-14H,5H2,1-4H3,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by Cherenkov counting


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392188
PNG
(CHEMBL2152958)
Show SMILES OC[C@@H](O)COc1ccc2c(CCc3cc(Nc4ccc(F)cc4F)ccc3C2=O)c1
Show InChI InChI=1S/C24H21F2NO4/c25-16-3-8-23(22(26)11-16)27-17-4-6-20-14(9-17)1-2-15-10-19(31-13-18(29)12-28)5-7-21(15)24(20)30/h3-11,18,27-29H,1-2,12-13H2/t18-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392170
PNG
(CHEMBL2152939)
Show SMILES Nc1ccccc1Nc1ccc2c(c1)ccc1ccc(OCCN3CCOCC3)cc1c2=O
Show InChI InChI=1S/C27H27N3O3/c28-25-3-1-2-4-26(25)29-21-8-10-23-20(17-21)6-5-19-7-9-22(18-24(19)27(23)31)33-16-13-30-11-14-32-15-12-30/h1-10,17-18,29H,11-16,28H2
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n/an/a 30n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392166
PNG
(CHEMBL2152798)
Show SMILES CC1(C)OC[C@H](COc2ccc3CCc4cc(Nc5ccccc5N)ccc4C(=O)c3c2)O1
Show InChI InChI=1S/C27H28N2O4/c1-27(2)32-16-21(33-27)15-31-20-11-9-17-7-8-18-13-19(29-25-6-4-3-5-24(25)28)10-12-22(18)26(30)23(17)14-20/h3-6,9-14,21,29H,7-8,15-16,28H2,1-2H3/t21-/m0/s1
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Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50300892
PNG
((E)-3-(2,4-dimethoxyphenyl)-N-(4-(3-(4-fluoropheny...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2cc(ccn2)-c2c(noc2C(C)C)-c2ccc(F)cc2)c(OC)c1
Show InChI InChI=1S/C28H26FN3O4/c1-17(2)28-26(27(32-36-28)19-5-9-21(29)10-6-19)20-13-14-30-24(15-20)31-25(33)12-8-18-7-11-22(34-3)16-23(18)35-4/h5-17H,1-4H3,(H,30,31,33)/b12-8+
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n/an/a 33n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CK1delta kinase domain by Cherenkov counting


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392202
PNG
(CHEMBL2152973)
Show SMILES Nc1ccccc1Nc1ccc2c(CCc3c(OC[C@H](O)CO)cccc3C2=O)c1
Show InChI InChI=1S/C24H24N2O4/c25-21-5-1-2-6-22(21)26-16-9-11-18-15(12-16)8-10-19-20(24(18)29)4-3-7-23(19)30-14-17(28)13-27/h1-7,9,11-12,17,26-28H,8,10,13-14,25H2/t17-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
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=1S/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 40n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392176
PNG
(CHEMBL2152945)
Show SMILES CC1(C)OC[C@@H](COc2ccc3CCc4cc(Nc5ccc(F)cc5F)ccc4C(=O)c3c2)O1
Show InChI InChI=1S/C27H25F2NO4/c1-27(2)33-15-21(34-27)14-32-20-8-5-16-3-4-17-11-19(7-9-22(17)26(31)23(16)13-20)30-25-10-6-18(28)12-24(25)29/h5-13,21,30H,3-4,14-15H2,1-2H3/t21-/m1/s1
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Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392182
PNG
(CHEMBL2152952)
Show SMILES OC[C@H](O)COc1ccc2CCc3cc(Oc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H20F2O5/c25-16-4-8-23(22(26)10-16)31-19-6-7-20-15(9-19)2-1-14-3-5-18(11-21(14)24(20)29)30-13-17(28)12-27/h3-11,17,27-28H,1-2,12-13H2/t17-/m0/s1
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Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392149
PNG
(CHEMBL2152779)
Show SMILES COc1ccc2CCc3cc(Nc4ccc(F)cc4N)ccc3C(=O)c2c1
Show InChI InChI=1S/C22H19FN2O2/c1-27-17-7-4-13-2-3-14-10-16(6-8-18(14)22(26)19(13)12-17)25-21-9-5-15(23)11-20(21)24/h4-12,25H,2-3,24H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392155
PNG
(CHEMBL2152785)
Show SMILES COc1ccc2CCc3cc(Nc4ccc(F)cc4Cl)ccc3C(=O)c2c1
Show InChI InChI=1S/C22H17ClFNO2/c1-27-17-7-4-13-2-3-14-10-16(6-8-18(14)22(26)19(13)12-17)25-21-9-5-15(24)11-20(21)23/h4-12,25H,2-3H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392147
PNG
(CHEMBL2152777)
Show SMILES COc1ccc2CCc3cc(Nc4ccccc4N)ccc3C(=O)c2c1
Show InChI InChI=1S/C22H20N2O2/c1-26-17-10-8-14-6-7-15-12-16(24-21-5-3-2-4-20(21)23)9-11-18(15)22(25)19(14)13-17/h2-5,8-13,24H,6-7,23H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392175
PNG
(CHEMBL2152944)
Show SMILES OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
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=1S/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 40n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by Cherenkov counting


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392158
PNG
(CHEMBL2152788)
Show SMILES COc1ccc2CCc3cc(Nc4ccc(F)c(C)c4)ccc3C(=O)c2c1
Show InChI InChI=1S/C23H20FNO2/c1-14-11-17(7-10-22(14)24)25-18-6-9-20-16(12-18)4-3-15-5-8-19(27-2)13-21(15)23(20)26/h5-13,25H,3-4H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50300893
PNG
((E)-3-(2,4-Dimethoxy-phenyl)-N-(4-[5-(4-fluoro-phe...)
Show SMILES COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc([nH]c2-c2ccc(F)cc2)S(C)=O)c(OC)c1
Show InChI InChI=1S/C26H23FN4O4S/c1-34-20-10-6-16(21(15-20)35-2)7-11-23(32)29-22-14-18(12-13-28-22)25-24(30-26(31-25)36(3)33)17-4-8-19(27)9-5-17/h4-15H,1-3H3,(H,30,31)(H,28,29,32)
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n/an/a 41n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by Cherenkov counting


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM50300892
PNG
((E)-3-(2,4-dimethoxyphenyl)-N-(4-(3-(4-fluoropheny...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2cc(ccn2)-c2c(noc2C(C)C)-c2ccc(F)cc2)c(OC)c1
Show InChI InChI=1S/C28H26FN3O4/c1-17(2)28-26(27(32-36-28)19-5-9-21(29)10-6-19)20-13-14-30-24(15-20)31-25(33)12-8-18-7-11-22(34-3)16-23(18)35-4/h5-17H,1-4H3,(H,30,31,33)/b12-8+
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n/an/a 47n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused rat CK1delta by Cherenkov counting in presence of 20 uM ATP


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392159
PNG
(CHEMBL2152789)
Show SMILES COc1ccc2CCc3cc(Nc4cc(F)cc(F)c4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C22H16F3NO2/c1-28-16-6-4-12-2-3-13-8-15(5-7-17(13)22(27)18(12)11-16)26-20-10-14(23)9-19(24)21(20)25/h4-11,26H,2-3H2,1H3
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n/an/a 50n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 50n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by Cherenkov counting


J Med Chem 52: 7618-30 (2009)


Article DOI: 10.1021/jm9005127
BindingDB Entry DOI: 10.7270/Q28K7961
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392168
PNG
(CHEMBL2152937)
Show SMILES CC1(C)OC[C@@H](COc2ccc3CCc4cc(Nc5ccccc5N)ccc4C(=O)c3c2)O1
Show InChI InChI=1S/C27H28N2O4/c1-27(2)32-16-21(33-27)15-31-20-11-9-17-7-8-18-13-19(29-25-6-4-3-5-24(25)28)10-12-22(18)26(30)23(17)14-20/h3-6,9-14,21,29H,7-8,15-16,28H2,1-2H3/t21-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50392173
PNG
(CHEMBL2152942)
Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OC5CCOCC5)cc4C3=O)c2)c(F)c1
Show InChI InChI=1S/C26H23F2NO3/c27-18-4-8-25(24(28)14-18)29-19-5-7-22-17(13-19)2-1-16-3-6-21(15-23(16)26(22)30)32-20-9-11-31-12-10-20/h3-8,13-15,20,29H,1-2,9-12H2
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n/an/a 60n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
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