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PubMed code 19591487

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
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
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 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
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))
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
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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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))
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
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))
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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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))
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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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))
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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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))
BDBM50300886
PNG
(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)-N-...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC2CCOCC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-14(2)22-20(21(26-28-22)15-3-5-17(23)6-4-15)16-7-10-24-19(13-16)25-18-8-11-27-12-9-18/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H,24,25)
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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 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/epsilon


(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 73n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CK1epsilon 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
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM50300890
PNG
(2-(4-fluorophenyl)-N-(4-(3-(4-fluorophenyl)-5-isop...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N3O2/c1-15(2)25-23(24(30-32-25)17-5-9-20(27)10-6-17)18-11-12-28-21(14-18)29-22(31)13-16-3-7-19(26)8-4-16/h3-12,14-15H,13H2,1-2H3,(H,28,29,31)
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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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50300890
PNG
(2-(4-fluorophenyl)-N-(4-(3-(4-fluorophenyl)-5-isop...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N3O2/c1-15(2)25-23(24(30-32-25)17-5-9-20(27)10-6-17)18-11-12-28-21(14-18)29-22(31)13-16-3-7-19(26)8-4-16/h3-12,14-15H,13H2,1-2H3,(H,28,29,31)
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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 isoform delta


(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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Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of 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
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50300889
PNG
(CHEMBL585533 | N-(4-(3-(4-fluorophenyl)-5-isopropy...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O2/c1-11(2)19-17(14-8-9-21-16(10-14)22-12(3)24)18(23-25-19)13-4-6-15(20)7-5-13/h4-11H,1-3H3,(H,21,22,24)
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n/an/a 300n/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))
BDBM50229971
PNG
(4-(4-(2,3-Dihydrobenzo[1,4]dioxin-6-yl)-5-pyridin-...)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCCOc2c1)-c1ccccn1
Show InChI InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)
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n/an/a 300n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused rat CK1delta expressed in Escherichia coli using phosphorylated peptide TFRPRTSpSNASTIS as substrate


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))
BDBM50300889
PNG
(CHEMBL585533 | N-(4-(3-(4-fluorophenyl)-5-isopropy...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O2/c1-11(2)19-17(14-8-9-21-16(10-14)22-12(3)24)18(23-25-19)13-4-6-15(20)7-5-13/h4-11H,1-3H3,(H,21,22,24)
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n/an/a 330n/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
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM50300891
PNG
((rac)-N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(=O)C(C)Oc2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN3O3/c1-16(2)25-23(24(30-33-25)18-9-11-20(27)12-10-18)19-13-14-28-22(15-19)29-26(31)17(3)32-21-7-5-4-6-8-21/h4-17H,1-3H3,(H,28,29,31)
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n/an/a 340n/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
Casein kinase I delta/epsilon


(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 447n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CK1epsilon 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))
BDBM50300887
PNG
((R)-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-/m1/s1
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n/an/a 450n/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))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 450n/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 10


(Homo sapiens (human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 540n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of JNK3 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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50300889
PNG
(CHEMBL585533 | N-(4-(3-(4-fluorophenyl)-5-isopropy...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(C)=O)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O2/c1-11(2)19-17(14-8-9-21-16(10-14)22-12(3)24)18(23-25-19)13-4-6-15(20)7-5-13/h4-11H,1-3H3,(H,21,22,24)
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n/an/a 700n/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 isoform delta


(Homo sapiens (Human))
BDBM50300891
PNG
((rac)-N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(=O)C(C)Oc2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN3O3/c1-16(2)25-23(24(30-33-25)18-9-11-20(27)12-10-18)19-13-14-28-22(15-19)29-26(31)17(3)32-21-7-5-4-6-8-21/h4-17H,1-3H3,(H,28,29,31)
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n/an/a 820n/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))
BDBM50300891
PNG
((rac)-N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(=O)C(C)Oc2ccccc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN3O3/c1-16(2)25-23(24(30-33-25)18-9-11-20(27)12-10-18)19-13-14-28-22(15-19)29-26(31)17(3)32-21-7-5-4-6-8-21/h4-17H,1-3H3,(H,28,29,31)
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n/an/a 890n/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 isoform delta


(Homo sapiens (Human))
BDBM50263829
PNG
(3-(2,4,6-Trimethoxybenzylidene)indolin-2-one | 3-[...)
Show SMILES COc1cc(OC)c(\C=C2\C(=O)Nc3ccccc23)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of human CK1delta


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 9


(Homo sapiens (human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of JNK2 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))
BDBM50300890
PNG
(2-(4-fluorophenyl)-N-(4-(3-(4-fluorophenyl)-5-isop...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N3O2/c1-15(2)25-23(24(30-32-25)17-5-9-20(27)10-6-17)18-11-12-28-21(14-18)29-22(31)13-16-3-7-19(26)8-4-16/h3-12,14-15H,13H2,1-2H3,(H,28,29,31)
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n/an/a 1.56E+3n/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 isoform delta


(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 1.60E+3n/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))
BDBM50206423
PNG
(4-(5-(4-fluorophenyl)-3-isopropylisoxazol-4-yl)pyr...)
Show SMILES CC(C)c1noc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)16-15(12-7-9-19-10-8-12)17(21-20-16)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 2.20E+3n/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 isoform delta


(Homo sapiens (Human))
BDBM50300886
PNG
(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)-N-...)
Show SMILES CC(C)c1onc(c1-c1ccnc(NC2CCOCC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-14(2)22-20(21(26-28-22)15-3-5-17(23)6-4-15)16-7-10-24-19(13-16)25-18-8-11-27-12-9-18/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H,24,25)
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n/an/a 2.50E+3n/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))
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 2.52E+3n/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))
BDBM50229971
PNG
(4-(4-(2,3-Dihydrobenzo[1,4]dioxin-6-yl)-5-pyridin-...)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCCOc2c1)-c1ccccn1
Show InChI InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human p38alpha expressed in Escherichia coli


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
* indicates data uncertainty>20%