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PubMed code 19775160

Compile data set for download or QSAR
Found 79 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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299079
PNG
(5-{3-[4-(Methylsulfinyl)phenyl]-1-benzofuran-5-yl}...)
Show SMILES CS(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(N)o1
Show InChI InChI=1S/C17H13N3O3S/c1-24(21)12-5-2-10(3-6-12)14-9-22-15-7-4-11(8-13(14)15)16-19-20-17(18)23-16/h2-9H,1H3,(H2,18,20)
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299082
PNG
((R)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m1/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299080
PNG
((R)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m1/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299084
PNG
(2-{3-[4-(Ethylsulfonyl)phenyl]-1-benzofuran-5-yl}-...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1
Show InChI InChI=1S/C21H18O4S/c1-3-26(22,23)17-8-5-15(6-9-17)19-13-24-21-11-7-16(12-18(19)21)20-10-4-14(2)25-20/h4-13H,3H2,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299085
PNG
(2-Methyl-5-{3-[4-(methylsulfonyl)phenyl]-1-benzofu...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C20H16O4S/c1-13-3-9-19(24-13)15-6-10-20-17(11-15)18(12-23-20)14-4-7-16(8-5-14)25(2,21)22/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299086
PNG
(4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C20H14O4/c1-12-2-8-18(24-12)15-7-9-19-16(10-15)17(11-23-19)13-3-5-14(6-4-13)20(21)22/h2-11H,1H3,(H,21,22)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299087
PNG
(2-[3-(4-Methoxyphenyl)-1-benzofuran-5-yl]-5-methyl...)
Show SMILES COc1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1
Show InChI InChI=1S/C20H16O3/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(21-2)8-5-14/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299088
PNG
(2-Methyl-5-{3-[4-(methylsulfanyl)phenyl]-1-benzofu...)
Show SMILES CSc1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1
Show InChI InChI=1S/C20H16O2S/c1-13-3-9-19(22-13)15-6-10-20-17(11-15)18(12-21-20)14-4-7-16(23-2)8-5-14/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299089
PNG
(4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C20H15NO3/c1-12-2-8-18(24-12)15-7-9-19-16(10-15)17(11-23-19)13-3-5-14(6-4-13)20(21)22/h2-11H,1H3,(H2,21,22)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299072
PNG
(2-Methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofu...)
Show SMILES Cc1nnc(s1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2c1
Show InChI InChI=1S/C18H14N2O2S2/c1-11-19-20-18(23-11)13-5-8-17-15(9-13)16(10-22-17)12-3-6-14(7-4-12)24(2)21/h3-10H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299090
PNG
(2-[3-(3-Methoxyphenyl)-1-benzofuran-5-yl]-5-methyl...)
Show SMILES COc1cccc(c1)-c1coc2ccc(cc12)-c1ccc(C)o1
Show InChI InChI=1S/C20H16O3/c1-13-6-8-19(23-13)15-7-9-20-17(11-15)18(12-22-20)14-4-3-5-16(10-14)21-2/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299091
PNG
(4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccncc3)c2c1
Show InChI InChI=1S/C18H13NO2/c1-12-2-4-17(21-12)14-3-5-18-15(10-14)16(11-20-18)13-6-8-19-9-7-13/h2-11H,1H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299073
PNG
(3-Methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofu...)
Show SMILES Cc1nnc([nH]1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2c1
Show InChI InChI=1S/C18H15N3O2S/c1-11-19-18(21-20-11)13-5-8-17-15(9-13)16(10-23-17)12-3-6-14(7-4-12)24(2)22/h3-10H,1-2H3,(H,19,20,21)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299077
PNG
(5-{3-[4-(Methylsulfinyl)phenyl]-1-benzofuran-5-yl}...)
Show SMILES CS(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(S)o1
Show InChI InChI=1S/C17H12N2O3S2/c1-24(20)12-5-2-10(3-6-12)14-9-21-15-7-4-11(8-13(14)15)16-18-19-17(23)22-16/h2-9H,1H3,(H,19,23)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299092
PNG
(1-{4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofur...)
Show SMILES CC(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1
Show InChI InChI=1S/C21H16O3/c1-13-3-9-20(24-13)17-8-10-21-18(11-17)19(12-23-21)16-6-4-15(5-7-16)14(2)22/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299093
PNG
(2-[3-(4-Fluorophenyl)-1-benzofuran-5-yl]-5-methyl-...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C19H13FO2/c1-12-2-8-18(22-12)14-5-9-19-16(10-14)17(11-21-19)13-3-6-15(20)7-4-13/h2-11H,1H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299078
PNG
(5-{3-[4-(Methylsulfinyl)phenyl]-1-benzofuran-5-yl}...)
Show SMILES CS(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C17H12N2O4S/c1-24(21)12-5-2-10(3-6-12)14-9-22-15-7-4-11(8-13(14)15)16-18-19-17(20)23-16/h2-9H,1H3,(H,19,20)
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299080
PNG
((R)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m1/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299094
PNG
(1-{4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofur...)
Show SMILES CC(O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1
Show InChI InChI=1S/C21H18O3/c1-13-3-9-20(24-13)17-8-10-21-18(11-17)19(12-23-21)16-6-4-15(5-7-16)14(2)22/h3-12,14,22H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299095
PNG
(4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(O)cc3)c2c1
Show InChI InChI=1S/C19H14O3/c1-12-2-8-18(22-12)14-5-9-19-16(10-14)17(11-21-19)13-3-6-15(20)7-4-13/h2-11,20H,1H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299082
PNG
((R)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m1/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299096
PNG
(CHEMBL573480 | Methyl 4-[5-(5-Methyl-1,3,4-oxadiaz...)
Show SMILES COC(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1
Show InChI InChI=1S/C21H16O4/c1-13-3-9-19(25-13)16-8-10-20-17(11-16)18(12-24-20)14-4-6-15(7-5-14)21(22)23-2/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299099
PNG
(6-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-[4-(methylsulf...)
Show SMILES Cc1ccc(o1)-c1ccc2ncn(-c3ccc(cc3)S(C)=O)c2c1
Show InChI InChI=1S/C19H16N2O2S/c1-13-3-10-19(23-13)14-4-9-17-18(11-14)21(12-20-17)15-5-7-16(8-6-15)24(2)22/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299097
PNG
(2-Methyl-5-{3-[3-(methylsulfinyl)phenyl]-1-benzofu...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3cccc(c3)S(C)=O)c2c1
Show InChI InChI=1S/C20H16O3S/c1-13-6-8-19(23-13)15-7-9-20-17(11-15)18(12-22-20)14-4-3-5-16(10-14)24(2)21/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299102
PNG
(5-(5-Methyl-1,3,4-oxadiazol-2-yl)-3-[4-(methylsulf...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2n1
Show InChI InChI=1S/C19H15NO3S/c1-12-3-9-17(23-12)16-8-10-18-19(20-16)15(11-22-18)13-4-6-14(7-5-13)24(2)21/h3-11H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299098
PNG
(CHEMBL578861 | Dimethyl {4-[5-(5-Methyl-1,3,4-oxad...)
Show SMILES COP(=O)(OC)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1
Show InChI InChI=1S/C21H19O5P/c1-14-4-10-20(26-14)16-7-11-21-18(12-16)19(13-25-21)15-5-8-17(9-6-15)27(22,23-2)24-3/h4-13H,1-3H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299075
PNG
(5-Methyl-3-{3-[4-(methylsulfinyl)phenyl]-1-benzofu...)
Show SMILES Cc1nc(no1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2c1
Show InChI InChI=1S/C18H14N2O3S/c1-11-19-18(20-23-11)13-5-8-17-15(9-13)16(10-22-17)12-3-6-14(7-4-12)24(2)21/h3-10H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299100
PNG
(2-Methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzoth...)
Show SMILES Cc1ccc(o1)-c1ccc2scc(-c3ccc(cc3)S(C)=O)c2c1
Show InChI InChI=1S/C20H16O2S2/c1-13-3-9-19(22-13)15-6-10-20-17(11-15)18(12-23-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299070
PNG
(5-(5-Methyl-1,3,4-oxadiazol-2-yl)-3-[4-(methylsulf...)
Show SMILES Cc1ccc(o1)-c1cnc2occ(-c3ccc(cc3)S(C)=O)c2c1
Show InChI InChI=1S/C19H15NO3S/c1-12-3-8-18(23-12)14-9-16-17(11-22-19(16)20-10-14)13-4-6-15(7-5-13)24(2)21/h3-11H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299071
PNG
(5-(5-Methyl-1,3,4-oxadiazol-2-yl)-3-[4-(methylsulf...)
Show SMILES Cc1ccc(o1)-c1cc2c(coc2cn1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C19H15NO3S/c1-12-3-8-18(23-12)17-9-15-16(11-22-19(15)10-20-17)13-4-6-14(7-5-13)24(2)21/h3-11H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299074
PNG
(3-Methyl-6-{3-[4-(methylsulfinyl)phenyl]-1-benzofu...)
Show SMILES Cc1ccc(nn1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2c1
Show InChI InChI=1S/C20H16N2O2S/c1-13-3-9-19(22-21-13)15-6-10-20-17(11-15)18(12-24-20)14-4-7-16(8-5-14)25(2)23/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299101
PNG
(6-(5-Methyl-1,3,4-oxadiazol-2-yl)-3-[4-(methylsulf...)
Show SMILES Cc1ccc(o1)-c1ccc2ncc(-c3ccc(cc3)S(C)=O)n2c1
Show InChI InChI=1S/C19H16N2O2S/c1-13-3-9-18(23-13)15-6-10-19-20-11-17(21(19)12-15)14-4-7-16(8-5-14)24(2)22/h3-12H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50299076
PNG
(3-Methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofu...)
Show SMILES Cc1noc(n1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2c1
Show InChI InChI=1S/C18H14N2O3S/c1-11-19-18(23-20-11)13-5-8-17-15(9-13)16(10-22-17)12-3-6-14(7-4-12)24(2)21/h3-10H,1-2H3
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG-tagged MEKK1 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG-tagged IKK-beta by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged CHK1 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged VEGFR2 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal peptide-tagged EGFR cytoplasmic domain by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal peptide-tagged ERBB2 cytoplasmic domain by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Kit by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Kit by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged p38alpha by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG-tagged MEKK1 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal peptide-tagged EGFR cytoplasmic domain by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Src by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Lck by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TIE2 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6xHis-tagged CDK1 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Lck by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged CK1delta by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged p38alpha by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged CHK1 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged VEGFR2 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK5 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Src by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TIE2 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged CK1delta by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged JNK1 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6xHis-tagged CDK2 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50299081
PNG
((S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)ph...)
Show SMILES Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Show InChI InChI=1S/C20H16O3S/c1-13-3-9-19(23-13)15-6-10-20-17(11-15)18(12-22-20)14-4-7-16(8-5-14)24(2)21/h3-12H,1-2H3/t24-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6xHis-tagged CDK2 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG-tagged IKK-beta by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged JNK1 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal peptide-tagged ERBB2 cytoplasmic domain by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6xHis-tagged CDK1 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50299083
PNG
((S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2...)
Show SMILES CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Show InChI InChI=1S/C21H18O3S/c1-3-25(22)17-8-5-15(6-9-17)19-13-23-21-11-7-16(12-18(19)21)20-10-4-14(2)24-20/h4-13H,3H2,1-2H3/t25-/m0/s1
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Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK5 by [gamma-33-P]ATP based assay


J Med Chem 52: 6270-86 (2009)


Article DOI: 10.1021/jm900647e
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%