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PubMed code 23856049

Compile data set for download or QSAR
Found 50 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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438335
PNG
(CHEMBL2408610)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C22H20N6O2S/c23-22-20-16(8-19(30-20)15-2-1-3-18-21(15)31-27-26-18)17(10-24-22)12-9-25-28(11-12)13-4-6-14(29)7-5-13/h1-3,8-11,13-14,29H,4-7H2,(H2,23,24)/t13-,14-
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n/an/a 9n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438329
PNG
(CHEMBL2408616)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C(F)F)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H20F2N6O2S/c24-22(25)18-17-15(11-8-28-31(10-11)12-4-6-13(32)7-5-12)9-27-23(26)20(17)33-19(18)14-2-1-3-16-21(14)34-30-29-16/h1-3,8-10,12-13,22,32H,4-7H2,(H2,26,27)/t12-,13-
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n/an/a 14n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438335
PNG
(CHEMBL2408610)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C22H20N6O2S/c23-22-20-16(8-19(30-20)15-2-1-3-18-21(15)31-27-26-18)17(10-24-22)12-9-25-28(11-12)13-4-6-14(29)7-5-13/h1-3,8-11,13-14,29H,4-7H2,(H2,23,24)/t13-,14-
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n/an/a 15n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438322
PNG
(CHEMBL2408612)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C#N)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H19N7O2S/c24-8-16-19-17(12-9-27-30(11-12)13-4-6-14(31)7-5-13)10-26-23(25)21(19)32-20(16)15-2-1-3-18-22(15)33-29-28-18/h1-3,9-11,13-14,31H,4-7H2,(H2,25,26)/t13-,14-
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n/an/a 17n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438331
PNG
(CHEMBL2408615)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(CF)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H21FN6O2S/c24-8-16-19-17(12-9-27-30(11-12)13-4-6-14(31)7-5-13)10-26-23(25)21(19)32-20(16)15-2-1-3-18-22(15)33-29-28-18/h1-3,9-11,13-14,31H,4-8H2,(H2,25,26)/t13-,14-
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n/an/a 17n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438317
PNG
(CHEMBL2408611)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)/t12-,13-
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n/an/a 18n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438329
PNG
(CHEMBL2408616)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C(F)F)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H20F2N6O2S/c24-22(25)18-17-15(11-8-28-31(10-11)12-4-6-13(32)7-5-12)9-27-23(26)20(17)33-19(18)14-2-1-3-16-21(14)34-30-29-16/h1-3,8-10,12-13,22,32H,4-7H2,(H2,26,27)/t12-,13-
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n/an/a 20n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438317
PNG
(CHEMBL2408611)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)/t12-,13-
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n/an/a 28n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human TOV21G cells assessed as inhibition of JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438317
PNG
(CHEMBL2408611)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)/t12-,13-
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n/an/a 28n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438330
PNG
(CHEMBL2408614)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(-c3cncs3)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C25H21N7O2S2/c26-25-23-20(17(9-28-25)13-8-29-32(11-13)14-4-6-15(33)7-5-14)21(19-10-27-12-35-19)22(34-23)16-2-1-3-18-24(16)36-31-30-18/h1-3,8-12,14-15,33H,4-7H2,(H2,26,28)/t14-,15-
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n/an/a 31n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438330
PNG
(CHEMBL2408614)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(-c3cncs3)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C25H21N7O2S2/c26-25-23-20(17(9-28-25)13-8-29-32(11-13)14-4-6-15(33)7-5-14)21(19-10-27-12-35-19)22(34-23)16-2-1-3-18-24(16)36-31-30-18/h1-3,8-12,14-15,33H,4-7H2,(H2,26,28)/t14-,15-
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n/an/a 43n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438331
PNG
(CHEMBL2408615)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(CF)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H21FN6O2S/c24-8-16-19-17(12-9-27-30(11-12)13-4-6-14(31)7-5-13)10-26-23(25)21(19)32-20(16)15-2-1-3-18-22(15)33-29-28-18/h1-3,9-11,13-14,31H,4-8H2,(H2,25,26)/t13-,14-
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n/an/a 45n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438316
PNG
(CHEMBL2408613)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(c(oc12)-c1cccc2nnsc12)-c1cccnc1
Show InChI InChI=1S/C27H23N7O2S/c28-27-25-23(20(13-30-27)16-12-31-34(14-16)17-6-8-18(35)9-7-17)22(15-3-2-10-29-11-15)24(36-25)19-4-1-5-21-26(19)37-33-32-21/h1-5,10-14,17-18,35H,6-9H2,(H2,28,30)/t17-,18-
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n/an/a 110n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438316
PNG
(CHEMBL2408613)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(c(oc12)-c1cccc2nnsc12)-c1cccnc1
Show InChI InChI=1S/C27H23N7O2S/c28-27-25-23(20(13-30-27)16-12-31-34(14-16)17-6-8-18(35)9-7-17)22(15-3-2-10-29-11-15)24(36-25)19-4-1-5-21-26(19)37-33-32-21/h1-5,10-14,17-18,35H,6-9H2,(H2,28,30)/t17-,18-
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OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438325
PNG
(CHEMBL2408617)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C18H13N5OS/c1-23-8-10(5-22-23)13-6-21-18(19)17-12(13)4-15(24-17)14-9-25-16-7-20-3-2-11(14)16/h2-9H,1H3,(H2,19,21)
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n/an/a 150n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438335
PNG
(CHEMBL2408610)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C22H20N6O2S/c23-22-20-16(8-19(30-20)15-2-1-3-18-21(15)31-27-26-18)17(10-24-22)12-9-25-28(11-12)13-4-6-14(29)7-5-13/h1-3,8-11,13-14,29H,4-7H2,(H2,23,24)/t13-,14-
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n/an/a 160n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438322
PNG
(CHEMBL2408612)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C#N)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H19N7O2S/c24-8-16-19-17(12-9-27-30(11-12)13-4-6-14(31)7-5-13)10-26-23(25)21(19)32-20(16)15-2-1-3-18-22(15)33-29-28-18/h1-3,9-11,13-14,31H,4-7H2,(H2,25,26)/t13-,14-
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n/an/a 160n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438325
PNG
(CHEMBL2408617)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C18H13N5OS/c1-23-8-10(5-22-23)13-6-21-18(19)17-12(13)4-15(24-17)14-9-25-16-7-20-3-2-11(14)16/h2-9H,1H3,(H2,19,21)
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n/an/a 190n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438334
PNG
(CHEMBL2408726)
Show SMILES Cc1ncc(s1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C18H12N4OS2/c1-9-21-7-16(25-9)12-5-22-18(19)17-11(12)4-14(23-17)13-8-24-15-6-20-3-2-10(13)15/h2-8H,1H3,(H2,19,22)
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OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438333
PNG
(CHEMBL2408721)
Show SMILES Nc1ncc(-c2ccoc2)c2cc(oc12)-c1csc2cnccc12
Show InChI InChI=1S/C18H11N3O2S/c19-18-17-12(13(6-21-18)10-2-4-22-8-10)5-15(23-17)14-9-24-16-7-20-3-1-11(14)16/h1-9H,(H2,19,21)
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n/an/a 560n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438320
PNG
(CHEMBL2408734)
Show SMILES COc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H15N5O2S/c1-24-8-13(19(23-24)25-2)12-6-22-18(20)17-11(12)5-15(26-17)14-9-27-16-7-21-4-3-10(14)16/h3-9H,1-2H3,(H2,20,22)
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n/an/a 600n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438321
PNG
(CHEMBL2408731)
Show SMILES Cc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H15N5OS/c1-10-14(8-24(2)23-10)13-6-22-19(20)18-12(13)5-16(25-18)15-9-26-17-7-21-4-3-11(15)17/h3-9H,1-2H3,(H2,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438332
PNG
(CHEMBL2408725)
Show SMILES Nc1ncc(-c2cscn2)c2cc(oc12)-c1csc2cnccc12
Show InChI InChI=1S/C17H10N4OS2/c18-17-16-10(11(4-20-17)13-7-23-8-21-13)3-14(22-16)12-6-24-15-5-19-2-1-9(12)15/h1-8H,(H2,18,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438331
PNG
(CHEMBL2408615)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(CF)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H21FN6O2S/c24-8-16-19-17(12-9-27-30(11-12)13-4-6-14(31)7-5-13)10-26-23(25)21(19)32-20(16)15-2-1-3-18-22(15)33-29-28-18/h1-3,9-11,13-14,31H,4-8H2,(H2,25,26)/t13-,14-
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n/an/a 1.50E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438330
PNG
(CHEMBL2408614)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(-c3cncs3)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C25H21N7O2S2/c26-25-23-20(17(9-28-25)13-8-29-32(11-13)14-4-6-15(33)7-5-14)21(19-10-27-12-35-19)22(34-23)16-2-1-3-18-24(16)36-31-30-18/h1-3,8-12,14-15,33H,4-7H2,(H2,26,28)/t14-,15-
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n/an/a 1.70E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438320
PNG
(CHEMBL2408734)
Show SMILES COc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H15N5O2S/c1-24-8-13(19(23-24)25-2)12-6-22-18(20)17-11(12)5-15(26-17)14-9-27-16-7-21-4-3-10(14)16/h3-9H,1-2H3,(H2,20,22)
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n/an/a 1.70E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438329
PNG
(CHEMBL2408616)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C(F)F)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H20F2N6O2S/c24-22(25)18-17-15(11-8-28-31(10-11)12-4-6-13(32)7-5-12)9-27-23(26)20(17)33-19(18)14-2-1-3-16-21(14)34-30-29-16/h1-3,8-10,12-13,22,32H,4-7H2,(H2,26,27)/t12-,13-
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n/an/a 1.70E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438328
PNG
(CHEMBL2408722)
Show SMILES Cc1ccc(o1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H13N3O2S/c1-10-2-3-15(23-10)13-7-22-19(20)18-12(13)6-16(24-18)14-9-25-17-8-21-5-4-11(14)17/h2-9H,1H3,(H2,20,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438327
PNG
(CHEMBL2408723)
Show SMILES Nc1ncc(-c2ccsc2)c2cc(oc12)-c1csc2cnccc12
Show InChI InChI=1S/C18H11N3OS2/c19-18-17-12(13(6-21-18)10-2-4-23-8-10)5-15(22-17)14-9-24-16-7-20-3-1-11(14)16/h1-9H,(H2,19,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438326
PNG
(CHEMBL2408730)
Show SMILES COCC#Cc1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C18H13N3O2S/c1-22-6-2-3-11-8-21-18(19)17-13(11)7-15(23-17)14-10-24-16-9-20-5-4-12(14)16/h4-5,7-10H,6H2,1H3,(H2,19,21)
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n/an/a 2.90E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438314
PNG
(CHEMBL2408732)
Show SMILES Cc1c(cnn1C)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H15N5OS/c1-10-13(7-23-24(10)2)14-6-22-19(20)18-12(14)5-16(25-18)15-9-26-17-8-21-4-3-11(15)17/h3-9H,1-2H3,(H2,20,22)
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n/an/a 3.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438325
PNG
(CHEMBL2408617)
Show SMILES Cn1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C18H13N5OS/c1-23-8-10(5-22-23)13-6-21-18(19)17-12(13)4-15(24-17)14-9-25-16-7-20-3-2-11(14)16/h2-9H,1H3,(H2,19,21)
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n/an/a 3.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438324
PNG
(CHEMBL2408727)
Show SMILES Nc1ncc(-c2ccccc2)c2cc(oc12)-c1csc2cnccc12
Show InChI InChI=1S/C20H13N3OS/c21-20-19-14(15(9-23-20)12-4-2-1-3-5-12)8-17(24-19)16-11-25-18-10-22-7-6-13(16)18/h1-11H,(H2,21,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438321
PNG
(CHEMBL2408731)
Show SMILES Cc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H15N5OS/c1-10-14(8-24(2)23-10)13-6-22-19(20)18-12(13)5-16(25-18)15-9-26-17-7-21-4-3-11(15)17/h3-9H,1-2H3,(H2,20,22)
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n/an/a 3.50E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438323
PNG
(CHEMBL2408728)
Show SMILES Nc1ncc(-c2cccnc2)c2cc(oc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H12N4OS/c20-19-18-13(14(8-23-19)11-2-1-4-21-7-11)6-16(24-18)15-10-25-17-9-22-5-3-12(15)17/h1-10H,(H2,20,23)
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n/an/a 3.80E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438314
PNG
(CHEMBL2408732)
Show SMILES Cc1c(cnn1C)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H15N5OS/c1-10-13(7-23-24(10)2)14-6-22-19(20)18-12(14)5-16(25-18)15-9-26-17-8-21-4-3-11(15)17/h3-9H,1-2H3,(H2,20,22)
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n/an/a 4.10E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438311
PNG
(CHEMBL2408733)
Show SMILES Cc1nn(C)c(C)c1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C20H17N5OS/c1-10-18(11(2)25(3)24-10)14-7-23-20(21)19-13(14)6-16(26-19)15-9-27-17-8-22-5-4-12(15)17/h4-9H,1-3H3,(H2,21,23)
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n/an/a 4.40E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438319
PNG
(CHEMBL2408724)
Show SMILES Cc1ccc(s1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H13N3OS2/c1-10-2-3-16(25-10)13-7-22-19(20)18-12(13)6-15(23-18)14-9-24-17-8-21-5-4-11(14)17/h2-9H,1H3,(H2,20,22)
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n/an/a 4.60E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438318
PNG
(CHEMBL2408618)
Show SMILES Cn1ccc(c1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H14N4OS/c1-23-5-3-11(9-23)14-7-22-19(20)18-13(14)6-16(24-18)15-10-25-17-8-21-4-2-12(15)17/h2-10H,1H3,(H2,20,22)
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n/an/a 4.90E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438317
PNG
(CHEMBL2408611)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)/t12-,13-
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n/an/a 6.50E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438316
PNG
(CHEMBL2408613)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(c(oc12)-c1cccc2nnsc12)-c1cccnc1
Show InChI InChI=1S/C27H23N7O2S/c28-27-25-23(20(13-30-27)16-12-31-34(14-16)17-6-8-18(35)9-7-17)22(15-3-2-10-29-11-15)24(36-25)19-4-1-5-21-26(19)37-33-32-21/h1-5,10-14,17-18,35H,6-9H2,(H2,28,30)/t17-,18-
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n/an/a 6.90E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438313
PNG
(CHEMBL2408735)
Show SMILES Cn1cc(c(n1)C#N)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H12N6OS/c1-25-8-13(15(5-20)24-25)12-6-23-19(21)18-11(12)4-16(26-18)14-9-27-17-7-22-3-2-10(14)17/h2-4,6-9H,1H3,(H2,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438322
PNG
(CHEMBL2408612)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C#N)c(oc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H19N7O2S/c24-8-16-19-17(12-9-27-30(11-12)13-4-6-14(31)7-5-13)10-26-23(25)21(19)32-20(16)15-2-1-3-18-22(15)33-29-28-18/h1-3,9-11,13-14,31H,4-7H2,(H2,25,26)/t13-,14-
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n/an/a>1.00E+4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438315
PNG
(CHEMBL2408619)
Show SMILES Cn1cnc(c1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C18H13N5OS/c1-23-7-14(22-9-23)12-5-21-18(19)17-11(12)4-15(24-17)13-8-25-16-6-20-3-2-10(13)16/h2-9H,1H3,(H2,19,21)
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n/an/a 1.27E+4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438314
PNG
(CHEMBL2408732)
Show SMILES Cc1c(cnn1C)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H15N5OS/c1-10-13(7-23-24(10)2)14-6-22-19(20)18-12(14)5-16(25-18)15-9-26-17-8-21-4-3-11(15)17/h3-9H,1-2H3,(H2,20,22)
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n/an/a 1.74E+4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438321
PNG
(CHEMBL2408731)
Show SMILES Cc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H15N5OS/c1-10-14(8-24(2)23-10)13-6-22-19(20)18-12(13)5-16(25-18)15-9-26-17-7-21-4-3-11(15)17/h3-9H,1-2H3,(H2,20,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50438320
PNG
(CHEMBL2408734)
Show SMILES COc1nn(C)cc1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H15N5O2S/c1-24-8-13(19(23-24)25-2)12-6-22-18(20)17-11(12)5-15(26-17)14-9-27-16-7-21-4-3-10(14)16/h3-9H,1-2H3,(H2,20,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438313
PNG
(CHEMBL2408735)
Show SMILES Cn1cc(c(n1)C#N)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H12N6OS/c1-25-8-13(15(5-20)24-25)12-6-23-19(21)18-11(12)4-16(26-18)14-9-27-17-7-22-3-2-10(14)17/h2-4,6-9H,1H3,(H2,21,23)
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n/an/a 2.28E+4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438312
PNG
(CHEMBL2408729)
Show SMILES Nc1ncc(C2=CCNCC2)c2cc(oc12)-c1csc2cnccc12
Show InChI InChI=1S/C19H16N4OS/c20-19-18-13(14(8-23-19)11-1-4-21-5-2-11)7-16(24-18)15-10-25-17-9-22-6-3-12(15)17/h1,3,6-10,21H,2,4-5H2,(H2,20,23)
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n/an/a 2.36E+4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438311
PNG
(CHEMBL2408733)
Show SMILES Cc1nn(C)c(C)c1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C20H17N5OS/c1-10-18(11(2)25(3)24-10)14-7-23-20(21)19-13(14)6-16(26-19)15-9-27-17-8-22-5-4-12(15)17/h4-9H,1-3H3,(H2,21,23)
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n/an/a 2.39E+4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%