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Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'hirst' and Initial = 'k'   
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
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365798
PNG
(CHEMBL1956685)
Show SMILES NC(=O)c1cc(co1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O3/c22-19(28)18-11-14(13-30-18)17-12-24-20(21-23-5-6-27(17)21)25-15-1-3-16(4-2-15)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H2,22,28)(H,24,25)
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n/an/a 88n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365797
PNG
(CHEMBL1956684)
Show SMILES NC(=O)c1coc(c1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O3/c22-19(28)14-11-18(30-13-14)17-12-24-20(21-23-5-6-27(17)21)25-15-1-3-16(4-2-15)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H2,22,28)(H,24,25)
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n/an/a 148n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365801
PNG
(CHEMBL1956682)
Show SMILES O=C1NCc2cc(ccc12)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2ncnn12
Show InChI InChI=1S/C23H21N7O2/c31-23-19-6-1-15(11-16(19)12-25-23)20-13-24-21(22-26-14-27-30(20)22)28-17-2-4-18(5-3-17)29-7-9-32-10-8-29/h1-6,11,13-14H,7-10,12H2,(H,24,28)(H,25,31)
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n/an/a 195n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365797
PNG
(CHEMBL1956684)
Show SMILES NC(=O)c1coc(c1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O3/c22-19(28)14-11-18(30-13-14)17-12-24-20(21-23-5-6-27(17)21)25-15-1-3-16(4-2-15)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H2,22,28)(H,24,25)
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n/an/a 227n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365795
PNG
(CHEMBL1956574)
Show SMILES O=C1NCc2cc(ccc12)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C24H22N6O2/c31-24-20-6-1-16(13-17(20)14-27-24)21-15-26-22(23-25-7-8-30(21)23)28-18-2-4-19(5-3-18)29-9-11-32-12-10-29/h1-8,13,15H,9-12,14H2,(H,26,28)(H,27,31)
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n/an/a 239n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365799
PNG
(CHEMBL1956686)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1
Show InChI InChI=1S/C22H23N7O/c1-27-10-12-28(13-11-27)18-4-2-17(3-5-18)26-21-22-24-8-9-29(22)19(15-25-21)16-6-7-23-20(30)14-16/h2-9,14-15H,10-13H2,1H3,(H,23,30)(H,25,26)
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n/an/a 290n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365794
PNG
(CHEMBL1956573)
Show SMILES NC(=O)c1cc(cs1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O2S/c22-19(28)18-11-14(13-30-18)17-12-24-20(21-23-5-6-27(17)21)25-15-1-3-16(4-2-15)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H2,22,28)(H,24,25)
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n/an/a 327n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365788
PNG
(CHEMBL1956567)
Show SMILES O=c1cc(cc[nH]1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O2/c28-19-13-15(5-6-22-19)18-14-24-20(21-23-7-8-27(18)21)25-16-1-3-17(4-2-16)26-9-11-29-12-10-26/h1-8,13-14H,9-12H2,(H,22,28)(H,24,25)
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n/an/a 390n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365791
PNG
(CHEMBL1956570)
Show SMILES NC(=O)c1ccc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O2S/c22-19(28)18-6-5-17(30-18)16-13-24-20(21-23-7-8-27(16)21)25-14-1-3-15(4-2-14)26-9-11-29-12-10-26/h1-8,13H,9-12H2,(H2,22,28)(H,24,25)
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n/an/a 392n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365794
PNG
(CHEMBL1956573)
Show SMILES NC(=O)c1cc(cs1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O2S/c22-19(28)18-11-14(13-30-18)17-12-24-20(21-23-5-6-27(17)21)25-15-1-3-16(4-2-15)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H2,22,28)(H,24,25)
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n/an/a 437n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365801
PNG
(CHEMBL1956682)
Show SMILES O=C1NCc2cc(ccc12)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2ncnn12
Show InChI InChI=1S/C23H21N7O2/c31-23-19-6-1-15(11-16(19)12-25-23)20-13-24-21(22-26-14-27-30(20)22)28-17-2-4-18(5-3-17)29-7-9-32-10-8-29/h1-6,11,13-14H,7-10,12H2,(H,24,28)(H,25,31)
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n/an/a 445n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365795
PNG
(CHEMBL1956574)
Show SMILES O=C1NCc2cc(ccc12)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C24H22N6O2/c31-24-20-6-1-16(13-17(20)14-27-24)21-15-26-22(23-25-7-8-30(21)23)28-18-2-4-19(5-3-18)29-9-11-32-12-10-29/h1-8,13,15H,9-12,14H2,(H,26,28)(H,27,31)
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n/an/a 676n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365798
PNG
(CHEMBL1956685)
Show SMILES NC(=O)c1cc(co1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O3/c22-19(28)18-11-14(13-30-18)17-12-24-20(21-23-5-6-27(17)21)25-15-1-3-16(4-2-15)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H2,22,28)(H,24,25)
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n/an/a 702n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365800
PNG
(CHEMBL1956687)
Show SMILES C1CN(CCO1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1
Show InChI InChI=1S/C18H18N8O/c1-3-15(25-5-7-27-8-6-25)4-2-14(1)24-17-18-20-12-23-26(18)16(11-19-17)13-9-21-22-10-13/h1-4,9-12H,5-8H2,(H,19,24)(H,21,22)
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n/an/a 816n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365782
PNG
(CHEMBL1956561)
Show SMILES C1CN(CCO1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1
Show InChI InChI=1S/C19H19N7O/c1-3-16(25-7-9-27-10-8-25)4-2-15(1)24-18-19-20-5-6-26(19)17(13-21-18)14-11-22-23-12-14/h1-6,11-13H,7-10H2,(H,21,24)(H,22,23)
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n/an/a 829n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365788
PNG
(CHEMBL1956567)
Show SMILES O=c1cc(cc[nH]1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O2/c28-19-13-15(5-6-22-19)18-14-24-20(21-23-7-8-27(18)21)25-16-1-3-17(4-2-16)26-9-11-29-12-10-26/h1-8,13-14H,9-12H2,(H,22,28)(H,24,25)
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n/an/a 871n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365799
PNG
(CHEMBL1956686)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1
Show InChI InChI=1S/C22H23N7O/c1-27-10-12-28(13-11-27)18-4-2-17(3-5-18)26-21-22-24-8-9-29(22)19(15-25-21)16-6-7-23-20(30)14-16/h2-9,14-15H,10-13H2,1H3,(H,23,30)(H,25,26)
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n/an/a 871n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365785
PNG
(CHEMBL1956564)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C23H22N6O2/c24-21(30)17-3-1-16(2-4-17)20-15-26-22(23-25-9-10-29(20)23)27-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h1-10,15H,11-14H2,(H2,24,30)(H,26,27)
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n/an/a 914n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365785
PNG
(CHEMBL1956564)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C23H22N6O2/c24-21(30)17-3-1-16(2-4-17)20-15-26-22(23-25-9-10-29(20)23)27-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h1-10,15H,11-14H2,(H2,24,30)(H,26,27)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365791
PNG
(CHEMBL1956570)
Show SMILES NC(=O)c1ccc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C21H20N6O2S/c22-19(28)18-6-5-17(30-18)16-13-24-20(21-23-7-8-27(16)21)25-14-1-3-15(4-2-14)26-9-11-29-12-10-26/h1-8,13H,9-12H2,(H2,22,28)(H,24,25)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365784
PNG
(CHEMBL1956563)
Show SMILES C1CN(CCO1)c1ccc(Nc2ncc(-c3c[nH]nn3)n3ccnc23)cc1
Show InChI InChI=1S/C18H18N8O/c1-3-14(25-7-9-27-10-8-25)4-2-13(1)22-17-18-19-5-6-26(18)16(12-20-17)15-11-21-24-23-15/h1-6,11-12H,7-10H2,(H,20,22)(H,21,23,24)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365787
PNG
(CHEMBL1956566)
Show SMILES NC(=O)c1ccc(cc1F)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C23H21FN6O2/c24-19-13-15(1-6-18(19)21(25)31)20-14-27-22(23-26-7-8-30(20)23)28-16-2-4-17(5-3-16)29-9-11-32-12-10-29/h1-8,13-14H,9-12H2,(H2,25,31)(H,27,28)
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n/an/a 2.39E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365800
PNG
(CHEMBL1956687)
Show SMILES C1CN(CCO1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1
Show InChI InChI=1S/C18H18N8O/c1-3-15(25-5-7-27-8-6-25)4-2-14(1)24-17-18-20-12-23-26(18)16(11-19-17)13-9-21-22-10-13/h1-4,9-12H,5-8H2,(H,19,24)(H,21,22)
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n/an/a 2.61E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365792
PNG
(CHEMBL1956571)
Show SMILES NC(=O)c1cnc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C20H19N7O2S/c21-17(28)16-12-24-20(30-16)15-11-23-18(19-22-5-6-27(15)19)25-13-1-3-14(4-2-13)26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H2,21,28)(H,23,25)
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n/an/a 2.82E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365782
PNG
(CHEMBL1956561)
Show SMILES C1CN(CCO1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1
Show InChI InChI=1S/C19H19N7O/c1-3-16(25-7-9-27-10-8-25)4-2-15(1)24-18-19-20-5-6-26(19)17(13-21-18)14-11-22-23-12-14/h1-6,11-13H,7-10H2,(H,21,24)(H,22,23)
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n/an/a 2.82E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365793
PNG
(CHEMBL1956572)
Show SMILES NC(=O)c1ncc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C20H19N7O2S/c21-17(28)20-24-12-16(30-20)15-11-23-18(19-22-5-6-27(15)19)25-13-1-3-14(4-2-13)26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H2,21,28)(H,23,25)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365802
PNG
(CHEMBL1956683)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3cc[nH]c(=O)c3)n3ncnc23)cc1
Show InChI InChI=1S/C21H22N8O/c1-27-8-10-28(11-9-27)17-4-2-16(3-5-17)26-20-21-24-14-25-29(21)18(13-23-20)15-6-7-22-19(30)12-15/h2-7,12-14H,8-11H2,1H3,(H,22,30)(H,23,26)
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n/an/a 3.73E+3n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365784
PNG
(CHEMBL1956563)
Show SMILES C1CN(CCO1)c1ccc(Nc2ncc(-c3c[nH]nn3)n3ccnc23)cc1
Show InChI InChI=1S/C18H18N8O/c1-3-14(25-7-9-27-10-8-25)4-2-13(1)22-17-18-19-5-6-26(18)16(12-20-17)15-11-21-24-23-15/h1-6,11-12H,7-10H2,(H,20,22)(H,21,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365790
PNG
(CHEMBL1956569)
Show SMILES CN(C)c1cc(ccn1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C23H25N7O/c1-28(2)21-15-17(7-8-24-21)20-16-26-22(23-25-9-10-30(20)23)27-18-3-5-19(6-4-18)29-11-13-31-14-12-29/h3-10,15-16H,11-14H2,1-2H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365789
PNG
(CHEMBL1956568)
Show SMILES CCOc1cc(ccn1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C23H24N6O2/c1-2-31-21-15-17(7-8-24-21)20-16-26-22(23-25-9-10-29(20)23)27-18-3-5-19(6-4-18)28-11-13-30-14-12-28/h3-10,15-16H,2,11-14H2,1H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365786
PNG
(CHEMBL1956565)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C22H22N6O3S/c23-32(29,30)19-7-1-16(2-8-19)20-15-25-21(22-24-9-10-28(20)22)26-17-3-5-18(6-4-17)27-11-13-31-14-12-27/h1-10,15H,11-14H2,(H,25,26)(H2,23,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365783
PNG
(CHEMBL1956562)
Show SMILES CN(c1ccc(cc1)N1CCOCC1)c1ncc(-c2cn[nH]c2)n2ccnc12
Show InChI InChI=1S/C20H21N7O/c1-25(16-2-4-17(5-3-16)26-8-10-28-11-9-26)19-20-21-6-7-27(20)18(14-22-19)15-12-23-24-13-15/h2-7,12-14H,8-11H2,1H3,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365792
PNG
(CHEMBL1956571)
Show SMILES NC(=O)c1cnc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C20H19N7O2S/c21-17(28)16-12-24-20(30-16)15-11-23-18(19-22-5-6-27(15)19)25-13-1-3-14(4-2-13)26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H2,21,28)(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365796
PNG
(CHEMBL1956575)
Show SMILES C1CN(CCO1)c1ccc(Nc2ncc(-c3ccc4[nH]ccc4c3)n3ccnc23)cc1
Show InChI InChI=1S/C24H22N6O/c1-6-21-17(7-8-25-21)15-18(1)22-16-27-23(24-26-9-10-30(22)24)28-19-2-4-20(5-3-19)29-11-13-31-14-12-29/h1-10,15-16,25H,11-14H2,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365787
PNG
(CHEMBL1956566)
Show SMILES NC(=O)c1ccc(cc1F)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C23H21FN6O2/c24-19-13-15(1-6-18(19)21(25)31)20-14-27-22(23-26-7-8-30(20)23)28-16-2-4-17(5-3-16)29-9-11-32-12-10-29/h1-8,13-14H,9-12H2,(H2,25,31)(H,27,28)
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365786
PNG
(CHEMBL1956565)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C22H22N6O3S/c23-32(29,30)19-7-1-16(2-8-19)20-15-25-21(22-24-9-10-28(20)22)26-17-3-5-18(6-4-17)27-11-13-31-14-12-27/h1-10,15H,11-14H2,(H,25,26)(H2,23,29,30)
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Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50365793
PNG
(CHEMBL1956572)
Show SMILES NC(=O)c1ncc(s1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
Show InChI InChI=1S/C20H19N7O2S/c21-17(28)20-24-12-16(30-20)15-11-23-18(19-22-5-6-27(15)19)25-13-1-3-14(4-2-13)26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H2,21,28)(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK5 in syonovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubate...


Bioorg Med Chem Lett 22: 2266-70 (2012)

More data for this
Ligand-Target Pair