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Compile Data Set for Download or QSAR

Found 199 hits with Last Name = 'albertella' and Initial = 'm'   
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))
BDBM50438224
PNG
(CHEMBL2407759)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25)
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n/an/a 4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438223
PNG
(CHEMBL2407758)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12
Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-16(6-8-29)30-12-15(10-28-30)19-11-26-24(25)22-18(19)9-21(32-22)17-3-2-4-20-23(17)33-13-27-20/h2-4,9-13,16H,5-8H2,1H3,(H2,25,26)
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n/an/a 10n/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: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50437161
PNG
(CHEMBL2401832)
Show SMILES C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H19Cl2FN4O3/c1-10(16-14(22)2-3-15(24)17(16)23)31-19-18-12(8-27-20(19)25)13(9-30-18)11-4-6-28(7-5-11)21(26)29/h2-4,8-10H,5-7H2,1H3,(H2,25,27)(H2,26,29)/t10-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin) autophosphorylation


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438224
PNG
(CHEMBL2407759)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12
Show InChI InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25)
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n/an/a 12n/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: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438223
PNG
(CHEMBL2407758)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12
Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-16(6-8-29)30-12-15(10-28-30)19-11-26-24(25)22-18(19)9-21(32-22)17-3-2-4-20-23(17)33-13-27-20/h2-4,9-13,16H,5-8H2,1H3,(H2,25,26)
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n/an/a 13n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
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
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))
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))
BDBM50438219
PNG
(CHEMBL2407761)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cn(C)c2cnccc12
Show InChI InChI=1S/C25H25N7O2/c1-15(33)31-7-4-17(5-8-31)32-13-16(10-29-32)20-11-28-25(26)24-19(20)9-23(34-24)21-14-30(2)22-12-27-6-3-18(21)22/h3,6,9-14,17H,4-5,7-8H2,1-2H3,(H2,26,28)
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n/an/a 18n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438222
PNG
(CHEMBL2407757)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2cnsc12
Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-17(6-8-29)30-13-16(10-27-30)20-12-26-24(25)22-19(20)9-21(32-22)18-4-2-3-15-11-28-33-23(15)18/h2-4,9-13,17H,5-8H2,1H3,(H2,25,26)
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n/an/a 23n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50437161
PNG
(CHEMBL2401832)
Show SMILES C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H19Cl2FN4O3/c1-10(16-14(22)2-3-15(24)17(16)23)31-19-18-12(8-27-20(19)25)13(9-30-18)11-4-6-28(7-5-11)21(26)29/h2-4,8-10H,5-7H2,1H3,(H2,25,27)(H2,26,29)/t10-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) autophosphorylation


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437161
PNG
(CHEMBL2401832)
Show SMILES C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H19Cl2FN4O3/c1-10(16-14(22)2-3-15(24)17(16)23)31-19-18-12(8-27-20(19)25)13(9-30-18)11-4-6-28(7-5-11)21(26)29/h2-4,8-10H,5-7H2,1H3,(H2,25,27)(H2,26,29)/t10-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
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))
BDBM50438221
PNG
(CHEMBL2407760)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-6-3-16(4-7-29)30-12-15(9-28-30)19-10-27-24(25)23-18(19)8-21(32-23)20-13-33-22-11-26-5-2-17(20)22/h2,5,8-13,16H,3-4,6-7H2,1H3,(H2,25,27)
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n/an/a 30n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437186
PNG
(CHEMBL2401825)
Show SMILES C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C20H18Cl2FN3O2/c1-10(16-14(21)2-3-15(23)17(16)22)28-19-18-12(8-26-20(19)24)13(9-27-18)11-4-6-25-7-5-11/h2-4,8-10,25H,5-7H2,1H3,(H2,24,26)/t10-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50437161
PNG
(CHEMBL2401832)
Show SMILES C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H19Cl2FN4O3/c1-10(16-14(22)2-3-15(24)17(16)23)31-19-18-12(8-27-20(19)25)13(9-30-18)11-4-6-28(7-5-11)21(26)29/h2-4,8-10H,5-7H2,1H3,(H2,25,27)(H2,26,29)/t10-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) autophosphorylation


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437185
PNG
(CHEMBL2401810)
Show SMILES CC(Oc1c(N)ncc2c(coc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)c(F)cc(F)c1Cl
Show InChI InChI=1S/C23H21Cl2F2N5O2/c1-11(18-19(24)16(26)6-17(27)20(18)25)34-22-21-14(8-30-23(22)28)15(10-33-21)12-7-31-32(9-12)13-2-4-29-5-3-13/h6-11,13,29H,2-5H2,1H3,(H2,28,30)
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n/an/a 42n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437161
PNG
(CHEMBL2401832)
Show SMILES C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H19Cl2FN4O3/c1-10(16-14(22)2-3-15(24)17(16)23)31-19-18-12(8-27-20(19)25)13(9-30-18)11-4-6-28(7-5-11)21(26)29/h2-4,8-10H,5-7H2,1H3,(H2,25,27)(H2,26,29)/t10-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET in human MKN45 cells assessed as phosphorylated MET levels after 4 hrs


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
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))
BDBM50438222
PNG
(CHEMBL2407757)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2cnsc12
Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-17(6-8-29)30-13-16(10-27-30)20-12-26-24(25)22-19(20)9-21(32-22)18-4-2-3-15-11-28-33-23(15)18/h2-4,9-13,17H,5-8H2,1H3,(H2,25,26)
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n/an/a 44n/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: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437171
PNG
(CHEMBL2401813)
Show SMILES C[C@@H](Oc1c(N)ncc2c(coc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C23H22Cl2FN5O2/c1-12(19-17(24)2-3-18(26)20(19)25)33-22-21-15(9-29-23(22)27)16(11-32-21)13-8-30-31(10-13)14-4-6-28-7-5-14/h2-3,8-12,14,28H,4-7H2,1H3,(H2,27,29)/t12-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438211
PNG
(CHEMBL2407795)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(O)c1
Show InChI InChI=1S/C23H23N5O3/c1-14(29)27-7-5-17(6-8-27)28-13-16(11-26-28)20-12-25-23(24)22-19(20)10-21(31-22)15-3-2-4-18(30)9-15/h2-4,9-13,17,30H,5-8H2,1H3,(H2,24,25)
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n/an/a 61n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437168
PNG
(CHEMBL2401818)
Show SMILES Nc1ncc2c(coc2c1OC(CC#C)c1c(Cl)ccc(F)c1Cl)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H22Cl2FN5O2/c1-2-3-20(21-18(26)4-5-19(28)22(21)27)35-24-23-16(11-31-25(24)29)17(13-34-23)14-10-32-33(12-14)15-6-8-30-9-7-15/h1,4-5,10-13,15,20,30H,3,6-9H2,(H2,29,31)
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n/an/a 70n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437157
PNG
(CHEMBL2401814)
Show SMILES C[C@H](Oc1c(N)ncc2c(coc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C23H22Cl2FN5O2/c1-12(19-17(24)2-3-18(26)20(19)25)33-22-21-15(9-29-23(22)27)16(11-32-21)13-8-30-31(10-13)14-4-6-28-7-5-14/h2-3,8-12,14,28H,4-7H2,1H3,(H2,27,29)/t12-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437184
PNG
(CHEMBL2401811)
Show SMILES CC(Oc1c(N)ncc2c(coc12)-c1cnn(c1)C1CCNCC1)c1c(Br)ccc(F)c1Cl
Show InChI InChI=1S/C23H22BrClFN5O2/c1-12(19-17(24)2-3-18(26)20(19)25)33-22-21-15(9-29-23(22)27)16(11-32-21)13-8-30-31(10-13)14-4-6-28-7-5-14/h2-3,8-12,14,28H,4-7H2,1H3,(H2,27,29)
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n/an/a 89n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438220
PNG
(CHEMBL2407792)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N6O4/c1-14(30)27-7-5-17(6-8-27)28-13-16(11-26-28)20-12-25-23(24)22-19(20)10-21(33-22)15-3-2-4-18(9-15)29(31)32/h2-4,9-13,17H,5-8H2,1H3,(H2,24,25)
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n/an/a 89n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437158
PNG
(CHEMBL2401740)
Show SMILES CCC(Oc1c(N)ncc2c(coc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C24H24Cl2FN5O2/c1-2-19(20-17(25)3-4-18(27)21(20)26)34-23-22-15(10-30-24(23)28)16(12-33-22)13-9-31-32(11-13)14-5-7-29-8-6-14/h3-4,9-12,14,19,29H,2,5-8H2,1H3,(H2,28,30)
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n/an/a 92n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437159
PNG
(CHEMBL2401817)
Show SMILES Nc1ncc2c(coc2c1OC(CC=C)c1c(Cl)ccc(F)c1Cl)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H24Cl2FN5O2/c1-2-3-20(21-18(26)4-5-19(28)22(21)27)35-24-23-16(11-31-25(24)29)17(13-34-23)14-10-32-33(12-14)15-6-8-30-9-7-15/h2,4-5,10-13,15,20,30H,1,3,6-9H2,(H2,29,31)
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n/an/a 110n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438221
PNG
(CHEMBL2407760)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12
Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-6-3-16(4-7-29)30-12-15(9-28-30)19-10-27-24(25)23-18(19)8-21(32-23)20-13-33-22-11-26-5-2-17(20)22/h2,5,8-13,16H,3-4,6-7H2,1H3,(H2,25,27)
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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 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation


Bioorg Med Chem Lett 23: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437183
PNG
(CHEMBL2401808)
Show SMILES CC(Oc1c(N)ncc2c(coc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(Cl)c1Cl
Show InChI InChI=1S/C23H22Cl3N5O2/c1-12(19-17(24)2-3-18(25)20(19)26)33-22-21-15(9-29-23(22)27)16(11-32-21)13-8-30-31(10-13)14-4-6-28-7-5-14/h2-3,8-12,14,28H,4-7H2,1H3,(H2,27,29)
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OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437182
PNG
(CHEMBL2401812)
Show SMILES CC(Oc1c(N)ncc2c(coc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C23H22Cl3N5O2/c1-12(20-18(25)6-14(24)7-19(20)26)33-22-21-16(9-29-23(22)27)17(11-32-21)13-8-30-31(10-13)15-2-4-28-5-3-15/h6-12,15,28H,2-5H2,1H3,(H2,27,29)
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OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438173
PNG
(CHEMBL2407966)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H21N7O2/c1-12(28)26-4-2-15(3-5-26)27-11-14(9-25-27)17-10-22-20(21)19-16(17)6-18(29-19)13-7-23-24-8-13/h6-11,15H,2-5H2,1H3,(H2,21,22)(H,23,24)
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n/an/a 130n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP


Bioorg Med Chem Lett 23: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437181
PNG
(CHEMBL2401816)
Show SMILES CCCC(Oc1c(N)ncc2c(coc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C25H26Cl2FN5O2/c1-2-3-20(21-18(26)4-5-19(28)22(21)27)35-24-23-16(11-31-25(24)29)17(13-34-23)14-10-32-33(12-14)15-6-8-30-9-7-15/h4-5,10-13,15,20,30H,2-3,6-9H2,1H3,(H2,29,31)
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n/an/a 130n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50437157
PNG
(CHEMBL2401814)
Show SMILES C[C@H](Oc1c(N)ncc2c(coc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C23H22Cl2FN5O2/c1-12(19-17(24)2-3-18(26)20(19)25)33-22-21-15(9-29-23(22)27)16(11-32-21)13-8-30-31(10-13)14-4-6-28-7-5-14/h2-3,8-12,14,28H,4-7H2,1H3,(H2,27,29)/t12-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of short-form RON (unknown origin) expressed in human HeLa cells assessed as phosphorylated RON levels after 4 hrs


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
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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n/an/a 130n/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))
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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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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50437180
PNG
(CHEMBL2401820)
Show SMILES C[C@@H](Oc1c(N)ncc2c(coc12)-c1cn[nH]c1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C18H13Cl2FN4O2/c1-8(14-12(19)2-3-13(21)15(14)20)27-17-16-10(6-23-18(17)22)11(7-26-16)9-4-24-25-5-9/h2-8H,1H3,(H2,22,23)(H,24,25)/t8-/m1/s1
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OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438220
PNG
(CHEMBL2407792)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N6O4/c1-14(30)27-7-5-17(6-8-27)28-13-16(11-26-28)20-12-25-23(24)22-19(20)10-21(33-22)15-3-2-4-18(9-15)29(31)32/h2-4,9-13,17H,5-8H2,1H3,(H2,24,25)
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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: 4517-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50437161
PNG
(CHEMBL2401832)
Show SMILES C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H19Cl2FN4O3/c1-10(16-14(22)2-3-15(24)17(16)23)31-19-18-12(8-27-20(19)25)13(9-30-18)11-4-6-28(7-5-11)21(26)29/h2-4,8-10H,5-7H2,1H3,(H2,25,27)(H2,26,29)/t10-/m1/s1
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OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of short-form RON (unknown origin) expressed in human HeLa cells assessed as phosphorylated RON levels after 4 hrs


Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
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