Found 50 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438335
(CHEMBL2408610)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.91,-9.17,;11.37,-8.7,;12.51,-9.73,;13.97,-9.25,;14.29,-7.76,;15.76,-7.28,;16.23,-5.82,;17.77,-5.82,;18.25,-7.28,;17,-8.19,;19.71,-7.76,;20.03,-9.27,;21.48,-9.75,;22.63,-8.72,;24.1,-9.21,;22.32,-7.22,;20.85,-6.73,;13.16,-6.73,;13.16,-5.19,;11.69,-4.72,;10.79,-5.97,;11.69,-7.2,;11.22,-3.25,;12.26,-2.12,;11.8,-.65,;10.29,-.32,;9.25,-1.47,;7.71,-1.46,;7.23,-2.93,;8.48,-3.83,;9.72,-2.93,)| 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- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438329
(CHEMBL2408616)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C(F)F)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.16,-24.66,;48.63,-24.19,;49.76,-25.22,;51.23,-24.74,;51.55,-23.24,;53.01,-22.77,;53.49,-21.3,;55.03,-21.3,;55.51,-22.77,;54.26,-23.67,;56.97,-23.24,;57.28,-24.76,;58.74,-25.24,;59.89,-24.21,;61.35,-24.69,;59.57,-22.7,;58.1,-22.22,;50.41,-22.22,;50.41,-20.68,;51.66,-19.77,;53.06,-20.4,;51.5,-18.24,;48.95,-20.2,;48.04,-21.45,;48.95,-22.69,;48.48,-18.74,;49.52,-17.6,;49.05,-16.14,;47.55,-15.81,;46.51,-16.95,;44.97,-16.95,;44.49,-18.41,;45.73,-19.32,;46.98,-18.42,)| 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- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438335
(CHEMBL2408610)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.91,-9.17,;11.37,-8.7,;12.51,-9.73,;13.97,-9.25,;14.29,-7.76,;15.76,-7.28,;16.23,-5.82,;17.77,-5.82,;18.25,-7.28,;17,-8.19,;19.71,-7.76,;20.03,-9.27,;21.48,-9.75,;22.63,-8.72,;24.1,-9.21,;22.32,-7.22,;20.85,-6.73,;13.16,-6.73,;13.16,-5.19,;11.69,-4.72,;10.79,-5.97,;11.69,-7.2,;11.22,-3.25,;12.26,-2.12,;11.8,-.65,;10.29,-.32,;9.25,-1.47,;7.71,-1.46,;7.23,-2.93,;8.48,-3.83,;9.72,-2.93,)| 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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438331
(CHEMBL2408615)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(CF)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28.58,-24.18,;30.05,-23.7,;31.18,-24.73,;32.65,-24.26,;32.97,-22.76,;34.43,-22.29,;34.91,-20.82,;36.45,-20.82,;36.92,-22.28,;35.68,-23.19,;38.39,-22.76,;38.7,-24.28,;40.16,-24.75,;41.31,-23.73,;42.77,-24.21,;40.99,-22.22,;39.52,-21.74,;31.83,-21.74,;31.83,-20.2,;33.08,-19.29,;32.91,-17.76,;30.37,-19.72,;29.46,-20.97,;30.37,-22.21,;29.9,-18.26,;30.94,-17.12,;30.47,-15.65,;28.96,-15.32,;27.93,-16.47,;26.39,-16.47,;25.91,-17.93,;27.15,-18.84,;28.4,-17.93,)| 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- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438322
(CHEMBL2408612)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C#N)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.34,-10.13,;48.81,-9.66,;49.94,-10.69,;51.41,-10.21,;51.72,-8.71,;53.19,-8.24,;53.67,-6.77,;55.21,-6.77,;55.68,-8.24,;54.44,-9.14,;57.15,-8.71,;57.46,-10.23,;58.92,-10.71,;60.07,-9.68,;61.53,-10.16,;59.75,-8.17,;58.28,-7.69,;50.59,-7.69,;50.59,-6.15,;51.83,-5.25,;53.07,-4.34,;49.13,-5.68,;48.22,-6.92,;49.13,-8.16,;48.66,-4.21,;49.7,-3.07,;49.23,-1.61,;47.72,-1.28,;46.69,-2.42,;45.15,-2.42,;44.67,-3.88,;45.91,-4.79,;47.16,-3.89,)| 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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438317
(CHEMBL2408611)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)| 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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50438329
(CHEMBL2408616)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C(F)F)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.16,-24.66,;48.63,-24.19,;49.76,-25.22,;51.23,-24.74,;51.55,-23.24,;53.01,-22.77,;53.49,-21.3,;55.03,-21.3,;55.51,-22.77,;54.26,-23.67,;56.97,-23.24,;57.28,-24.76,;58.74,-25.24,;59.89,-24.21,;61.35,-24.69,;59.57,-22.7,;58.1,-22.22,;50.41,-22.22,;50.41,-20.68,;51.66,-19.77,;53.06,-20.4,;51.5,-18.24,;48.95,-20.2,;48.04,-21.45,;48.95,-22.69,;48.48,-18.74,;49.52,-17.6,;49.05,-16.14,;47.55,-15.81,;46.51,-16.95,;44.97,-16.95,;44.49,-18.41,;45.73,-19.32,;46.98,-18.42,)| 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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438317
(CHEMBL2408611)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)| 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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438317
(CHEMBL2408611)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)| 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- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438330
(CHEMBL2408614)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(-c3cncs3)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.62,-24.57,;11.08,-24.1,;12.22,-25.13,;13.69,-24.65,;14,-23.16,;15.47,-22.68,;15.95,-21.22,;17.49,-21.22,;17.96,-22.68,;16.72,-23.59,;19.43,-23.16,;19.74,-24.67,;21.2,-25.15,;22.35,-24.12,;23.81,-24.61,;22.03,-22.62,;20.56,-22.13,;12.87,-22.13,;12.87,-20.59,;14.12,-19.69,;14.12,-18.15,;15.58,-17.67,;16.49,-18.92,;15.58,-20.16,;11.4,-20.12,;10.5,-21.37,;11.41,-22.6,;10.94,-18.65,;11.98,-17.52,;11.51,-16.05,;10,-15.72,;8.96,-16.86,;7.42,-16.86,;6.95,-18.33,;8.19,-19.23,;9.44,-18.33,)| 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- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438330
(CHEMBL2408614)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(-c3cncs3)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.62,-24.57,;11.08,-24.1,;12.22,-25.13,;13.69,-24.65,;14,-23.16,;15.47,-22.68,;15.95,-21.22,;17.49,-21.22,;17.96,-22.68,;16.72,-23.59,;19.43,-23.16,;19.74,-24.67,;21.2,-25.15,;22.35,-24.12,;23.81,-24.61,;22.03,-22.62,;20.56,-22.13,;12.87,-22.13,;12.87,-20.59,;14.12,-19.69,;14.12,-18.15,;15.58,-17.67,;16.49,-18.92,;15.58,-20.16,;11.4,-20.12,;10.5,-21.37,;11.41,-22.6,;10.94,-18.65,;11.98,-17.52,;11.51,-16.05,;10,-15.72,;8.96,-16.86,;7.42,-16.86,;6.95,-18.33,;8.19,-19.23,;9.44,-18.33,)| 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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438331
(CHEMBL2408615)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(CF)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28.58,-24.18,;30.05,-23.7,;31.18,-24.73,;32.65,-24.26,;32.97,-22.76,;34.43,-22.29,;34.91,-20.82,;36.45,-20.82,;36.92,-22.28,;35.68,-23.19,;38.39,-22.76,;38.7,-24.28,;40.16,-24.75,;41.31,-23.73,;42.77,-24.21,;40.99,-22.22,;39.52,-21.74,;31.83,-21.74,;31.83,-20.2,;33.08,-19.29,;32.91,-17.76,;30.37,-19.72,;29.46,-20.97,;30.37,-22.21,;29.9,-18.26,;30.94,-17.12,;30.47,-15.65,;28.96,-15.32,;27.93,-16.47,;26.39,-16.47,;25.91,-17.93,;27.15,-18.84,;28.4,-17.93,)| 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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438316
(CHEMBL2408613)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(c(oc12)-c1cccc2nnsc12)-c1cccnc1 |r,wU:13.14,wD:10.10,(-9.96,-23.67,;-8.48,-23.2,;-7.35,-24.23,;-5.89,-23.75,;-5.57,-22.25,;-4.09,-21.78,;-3.62,-20.31,;-2.08,-20.31,;-1.61,-21.78,;-2.85,-22.68,;-.15,-22.25,;.18,-23.77,;1.64,-24.25,;2.79,-23.22,;4.25,-23.7,;2.47,-21.71,;1,-21.23,;-6.71,-21.23,;-6.7,-19.69,;-8.16,-19.21,;-9.08,-20.46,;-8.17,-21.7,;-8.65,-17.74,;-7.6,-16.61,;-8.07,-15.14,;-9.56,-14.81,;-10.61,-15.96,;-12.15,-15.95,;-12.64,-17.42,;-11.39,-18.33,;-10.14,-17.42,;-5.47,-18.79,;-4.06,-19.42,;-2.82,-18.51,;-2.97,-16.98,;-4.38,-16.35,;-5.63,-17.26,)| 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- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438316
(CHEMBL2408613)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(c(oc12)-c1cccc2nnsc12)-c1cccnc1 |r,wU:13.14,wD:10.10,(-9.96,-23.67,;-8.48,-23.2,;-7.35,-24.23,;-5.89,-23.75,;-5.57,-22.25,;-4.09,-21.78,;-3.62,-20.31,;-2.08,-20.31,;-1.61,-21.78,;-2.85,-22.68,;-.15,-22.25,;.18,-23.77,;1.64,-24.25,;2.79,-23.22,;4.25,-23.7,;2.47,-21.71,;1,-21.23,;-6.71,-21.23,;-6.7,-19.69,;-8.16,-19.21,;-9.08,-20.46,;-8.17,-21.7,;-8.65,-17.74,;-7.6,-16.61,;-8.07,-15.14,;-9.56,-14.81,;-10.61,-15.96,;-12.15,-15.95,;-12.64,-17.42,;-11.39,-18.33,;-10.14,-17.42,;-5.47,-18.79,;-4.06,-19.42,;-2.82,-18.51,;-2.97,-16.98,;-4.38,-16.35,;-5.63,-17.26,)| 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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438325
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438322
(CHEMBL2408612)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C#N)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.34,-10.13,;48.81,-9.66,;49.94,-10.69,;51.41,-10.21,;51.72,-8.71,;53.19,-8.24,;53.67,-6.77,;55.21,-6.77,;55.68,-8.24,;54.44,-9.14,;57.15,-8.71,;57.46,-10.23,;58.92,-10.71,;60.07,-9.68,;61.53,-10.16,;59.75,-8.17,;58.28,-7.69,;50.59,-7.69,;50.59,-6.15,;51.83,-5.25,;53.07,-4.34,;49.13,-5.68,;48.22,-6.92,;49.13,-8.16,;48.66,-4.21,;49.7,-3.07,;49.23,-1.61,;47.72,-1.28,;46.69,-2.42,;45.15,-2.42,;44.67,-3.88,;45.91,-4.79,;47.16,-3.89,)| 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- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2408610)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.91,-9.17,;11.37,-8.7,;12.51,-9.73,;13.97,-9.25,;14.29,-7.76,;15.76,-7.28,;16.23,-5.82,;17.77,-5.82,;18.25,-7.28,;17,-8.19,;19.71,-7.76,;20.03,-9.27,;21.48,-9.75,;22.63,-8.72,;24.1,-9.21,;22.32,-7.22,;20.85,-6.73,;13.16,-6.73,;13.16,-5.19,;11.69,-4.72,;10.79,-5.97,;11.69,-7.2,;11.22,-3.25,;12.26,-2.12,;11.8,-.65,;10.29,-.32,;9.25,-1.47,;7.71,-1.46,;7.23,-2.93,;8.48,-3.83,;9.72,-2.93,)| 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438325
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438334
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438333
(CHEMBL2408721)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438320
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438321
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438332
(CHEMBL2408725)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2408615)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(CF)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28.58,-24.18,;30.05,-23.7,;31.18,-24.73,;32.65,-24.26,;32.97,-22.76,;34.43,-22.29,;34.91,-20.82,;36.45,-20.82,;36.92,-22.28,;35.68,-23.19,;38.39,-22.76,;38.7,-24.28,;40.16,-24.75,;41.31,-23.73,;42.77,-24.21,;40.99,-22.22,;39.52,-21.74,;31.83,-21.74,;31.83,-20.2,;33.08,-19.29,;32.91,-17.76,;30.37,-19.72,;29.46,-20.97,;30.37,-22.21,;29.9,-18.26,;30.94,-17.12,;30.47,-15.65,;28.96,-15.32,;27.93,-16.47,;26.39,-16.47,;25.91,-17.93,;27.15,-18.84,;28.4,-17.93,)| 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438320
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2408616)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C(F)F)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.16,-24.66,;48.63,-24.19,;49.76,-25.22,;51.23,-24.74,;51.55,-23.24,;53.01,-22.77,;53.49,-21.3,;55.03,-21.3,;55.51,-22.77,;54.26,-23.67,;56.97,-23.24,;57.28,-24.76,;58.74,-25.24,;59.89,-24.21,;61.35,-24.69,;59.57,-22.7,;58.1,-22.22,;50.41,-22.22,;50.41,-20.68,;51.66,-19.77,;53.06,-20.4,;51.5,-18.24,;48.95,-20.2,;48.04,-21.45,;48.95,-22.69,;48.48,-18.74,;49.52,-17.6,;49.05,-16.14,;47.55,-15.81,;46.51,-16.95,;44.97,-16.95,;44.49,-18.41,;45.73,-19.32,;46.98,-18.42,)| 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2408614)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(-c3cncs3)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.62,-24.57,;11.08,-24.1,;12.22,-25.13,;13.69,-24.65,;14,-23.16,;15.47,-22.68,;15.95,-21.22,;17.49,-21.22,;17.96,-22.68,;16.72,-23.59,;19.43,-23.16,;19.74,-24.67,;21.2,-25.15,;22.35,-24.12,;23.81,-24.61,;22.03,-22.62,;20.56,-22.13,;12.87,-22.13,;12.87,-20.59,;14.12,-19.69,;14.12,-18.15,;15.58,-17.67,;16.49,-18.92,;15.58,-20.16,;11.4,-20.12,;10.5,-21.37,;11.41,-22.6,;10.94,-18.65,;11.98,-17.52,;11.51,-16.05,;10,-15.72,;8.96,-16.86,;7.42,-16.86,;6.95,-18.33,;8.19,-19.23,;9.44,-18.33,)| 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438328
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438327
(CHEMBL2408723)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438326
(CHEMBL2408730)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50438325
(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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438314
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438324
(CHEMBL2408727)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438321
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438323
(CHEMBL2408728)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438314
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438311
(CHEMBL2408733)Show SMILES Cc1nn(C)c(C)c1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 |(38.02,-42,;38.92,-43.24,;40.46,-43.24,;40.94,-44.71,;42.4,-45.18,;39.69,-45.61,;39.69,-47.15,;38.45,-44.71,;36.98,-45.18,;36.66,-46.68,;35.2,-47.16,;34.06,-46.13,;32.59,-46.6,;34.38,-44.63,;33.47,-43.39,;34.38,-42.15,;35.84,-42.62,;35.84,-44.16,;33.91,-40.68,;34.82,-39.42,;33.91,-38.17,;32.43,-38.65,;31.1,-37.88,;29.77,-38.66,;29.77,-40.2,;31.1,-40.97,;32.44,-40.2,)| 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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438319
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438318
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2408611)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)| 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2408613)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(c(oc12)-c1cccc2nnsc12)-c1cccnc1 |r,wU:13.14,wD:10.10,(-9.96,-23.67,;-8.48,-23.2,;-7.35,-24.23,;-5.89,-23.75,;-5.57,-22.25,;-4.09,-21.78,;-3.62,-20.31,;-2.08,-20.31,;-1.61,-21.78,;-2.85,-22.68,;-.15,-22.25,;.18,-23.77,;1.64,-24.25,;2.79,-23.22,;4.25,-23.7,;2.47,-21.71,;1,-21.23,;-6.71,-21.23,;-6.7,-19.69,;-8.16,-19.21,;-9.08,-20.46,;-8.17,-21.7,;-8.65,-17.74,;-7.6,-16.61,;-8.07,-15.14,;-9.56,-14.81,;-10.61,-15.96,;-12.15,-15.95,;-12.64,-17.42,;-11.39,-18.33,;-10.14,-17.42,;-5.47,-18.79,;-4.06,-19.42,;-2.82,-18.51,;-2.97,-16.98,;-4.38,-16.35,;-5.63,-17.26,)| 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- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50438313
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2408612)Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C#N)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.34,-10.13,;48.81,-9.66,;49.94,-10.69,;51.41,-10.21,;51.72,-8.71,;53.19,-8.24,;53.67,-6.77,;55.21,-6.77,;55.68,-8.24,;54.44,-9.14,;57.15,-8.71,;57.46,-10.23,;58.92,-10.71,;60.07,-9.68,;61.53,-10.16,;59.75,-8.17,;58.28,-7.69,;50.59,-7.69,;50.59,-6.15,;51.83,-5.25,;53.07,-4.34,;49.13,-5.68,;48.22,-6.92,;49.13,-8.16,;48.66,-4.21,;49.7,-3.07,;49.23,-1.61,;47.72,-1.28,;46.69,-2.42,;45.15,-2.42,;44.67,-3.88,;45.91,-4.79,;47.16,-3.89,)| 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- | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438315
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway
KEGG
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antibodypedia
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PC sid
UniChem
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PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438313
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.28E+4 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438312
(CHEMBL2408729)Show SMILES Nc1ncc(C2=CCNCC2)c2cc(oc12)-c1csc2cnccc12 |t:5| 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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/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/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438311
(CHEMBL2408733)Show SMILES Cc1nn(C)c(C)c1-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 |(38.02,-42,;38.92,-43.24,;40.46,-43.24,;40.94,-44.71,;42.4,-45.18,;39.69,-45.61,;39.69,-47.15,;38.45,-44.71,;36.98,-45.18,;36.66,-46.68,;35.2,-47.16,;34.06,-46.13,;32.59,-46.6,;34.38,-44.63,;33.47,-43.39,;34.38,-42.15,;35.84,-42.62,;35.84,-44.16,;33.91,-40.68,;34.82,-39.42,;33.91,-38.17,;32.43,-38.65,;31.1,-37.88,;29.77,-38.66,;29.77,-40.2,;31.1,-40.97,;32.44,-40.2,)| 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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.39E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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