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PubMed code 23850198

Compile data set for download or QSAR
Found 100 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
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)
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
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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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))
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
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
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
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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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
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
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
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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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
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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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))
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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438218
PNG
(CHEMBL2407767)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22N6O2/c1-15(31)29-7-5-19(6-8-29)30-14-18(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)17-4-2-3-16(9-17)11-25/h2-4,9-10,12-14,19H,5-8H2,1H3,(H2,26,27)
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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))
BDBM50438212
PNG
(CHEMBL2407787)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1CC#N
Show InChI InChI=1S/C25H24N6O2/c1-16(32)30-10-7-19(8-11-30)31-15-18(13-29-31)22-14-28-25(27)24-21(22)12-23(33-24)20-5-3-2-4-17(20)6-9-26/h2-5,12-15,19H,6-8,10-11H2,1H3,(H2,27,28)
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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))
BDBM50438213
PNG
(CHEMBL2407777)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C23H23N5O3/c1-14(29)27-8-6-17(7-9-27)28-13-16(11-26-28)20-12-25-23(24)22-19(20)10-21(31-22)15-2-4-18(30)5-3-15/h2-5,10-13,17,30H,6-9H2,1H3,(H2,24,25)
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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))
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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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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438217
PNG
(CHEMBL2407763)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2ccccc12
Show InChI InChI=1S/C25H23N5O2S/c1-15(31)29-8-6-17(7-9-29)30-13-16(11-28-30)20-12-27-25(26)24-19(20)10-22(32-24)21-14-33-23-5-3-2-4-18(21)23/h2-5,10-14,17H,6-9H2,1H3,(H2,26,27)
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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))
BDBM50438218
PNG
(CHEMBL2407767)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22N6O2/c1-15(31)29-7-5-19(6-8-29)30-14-18(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)17-4-2-3-16(9-17)11-25/h2-4,9-10,12-14,19H,5-8H2,1H3,(H2,26,27)
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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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438214
PNG
(CHEMBL2407779)
Show SMILES CSc1ccccc1-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H25N5O2S/c1-15(30)28-9-7-17(8-10-28)29-14-16(12-27-29)20-13-26-24(25)23-19(20)11-21(31-23)18-5-3-4-6-22(18)32-2/h3-6,11-14,17H,7-10H2,1-2H3,(H2,25,26)
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n/an/a 430n/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))
BDBM50438217
PNG
(CHEMBL2407763)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2ccccc12
Show InChI InChI=1S/C25H23N5O2S/c1-15(31)29-8-6-17(7-9-29)30-13-16(11-28-30)20-12-27-25(26)24-19(20)10-22(32-24)21-14-33-23-5-3-2-4-18(21)23/h2-5,10-14,17H,6-9H2,1H3,(H2,26,27)
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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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438216
PNG
(CHEMBL2407961)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)C1=CCCCC1
Show InChI InChI=1S/C23H27N5O2/c1-15(29)27-9-7-18(8-10-27)28-14-17(12-26-28)20-13-25-23(24)22-19(20)11-21(30-22)16-5-3-2-4-6-16/h5,11-14,18H,2-4,6-10H2,1H3,(H2,24,25)
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n/an/a 460n/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))
BDBM50438206
PNG
(CHEMBL2407772)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(CO)c1
Show InChI InChI=1S/C24H25N5O3/c1-15(31)28-7-5-19(6-8-28)29-13-18(11-27-29)21-12-26-24(25)23-20(21)10-22(32-23)17-4-2-3-16(9-17)14-30/h2-4,9-13,19,30H,5-8,14H2,1H3,(H2,25,26)
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n/an/a 470n/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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438215
PNG
(CHEMBL2407965)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccsc1
Show InChI InChI=1S/C21H21N5O2S/c1-13(27)25-5-2-16(3-6-25)26-11-15(9-24-26)18-10-23-21(22)20-17(18)8-19(28-20)14-4-7-29-12-14/h4,7-12,16H,2-3,5-6H2,1H3,(H2,22,23)
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n/an/a 480n/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))
BDBM50438213
PNG
(CHEMBL2407777)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C23H23N5O3/c1-14(29)27-8-6-17(7-9-27)28-13-16(11-26-28)20-12-25-23(24)22-19(20)10-21(31-22)15-2-4-18(30)5-3-15/h2-5,10-13,17,30H,6-9H2,1H3,(H2,24,25)
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n/an/a 500n/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))
BDBM50438214
PNG
(CHEMBL2407779)
Show SMILES CSc1ccccc1-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H25N5O2S/c1-15(30)28-9-7-17(8-10-28)29-14-16(12-27-29)20-13-26-24(25)23-19(20)11-21(31-23)18-5-3-4-6-22(18)32-2/h3-6,11-14,17H,7-10H2,1-2H3,(H2,25,26)
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n/an/a 500n/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))
BDBM50438208
PNG
(CHEMBL2407793)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(N)c1
Show InChI InChI=1S/C23H24N6O2/c1-14(30)28-7-5-18(6-8-28)29-13-16(11-27-29)20-12-26-23(25)22-19(20)10-21(31-22)15-3-2-4-17(24)9-15/h2-4,9-13,18H,5-8,24H2,1H3,(H2,25,26)
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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
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438204
PNG
(CHEMBL2407958)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1
Show InChI InChI=1S/C23H23N5O2/c1-15(29)27-9-7-18(8-10-27)28-14-17(12-26-28)20-13-25-23(24)22-19(20)11-21(30-22)16-5-3-2-4-6-16/h2-6,11-14,18H,7-10H2,1H3,(H2,24,25)
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n/an/a 520n/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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438185
PNG
(CHEMBL2407770)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H24N6O3/c1-14(31)29-7-5-18(6-8-29)30-13-17(11-28-30)20-12-27-23(25)22-19(20)10-21(33-22)15-3-2-4-16(9-15)24(26)32/h2-4,9-13,18H,5-8H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 530n/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))
BDBM50438212
PNG
(CHEMBL2407787)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1CC#N
Show InChI InChI=1S/C25H24N6O2/c1-16(32)30-10-7-19(8-11-30)31-15-18(13-29-31)22-14-28-25(27)24-21(22)12-23(33-24)20-5-3-2-4-17(20)6-9-26/h2-5,12-15,19H,6-8,10-11H2,1H3,(H2,27,28)
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n/an/a 530n/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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438196
PNG
(CHEMBL2407781)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1C#N
Show InChI InChI=1S/C24H22N6O2/c1-15(31)29-8-6-18(7-9-29)30-14-17(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)19-5-3-2-4-16(19)11-25/h2-5,10,12-14,18H,6-9H2,1H3,(H2,26,27)
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n/an/a 560n/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))
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 610n/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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438210
PNG
(CHEMBL2407962)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)C1CCCCC1
Show InChI InChI=1S/C23H29N5O2/c1-15(29)27-9-7-18(8-10-27)28-14-17(12-26-28)20-13-25-23(24)22-19(20)11-21(30-22)16-5-3-2-4-6-16/h11-14,16,18H,2-10H2,1H3,(H2,24,25)
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n/an/a 650n/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))
BDBM50438189
PNG
(CHEMBL2407098)
Show SMILES CN(C)c1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H28N6O2/c1-16(32)30-9-7-19(8-10-30)31-15-18(13-28-31)22-14-27-25(26)24-21(22)12-23(33-24)17-5-4-6-20(11-17)29(2)3/h4-6,11-15,19H,7-10H2,1-3H3,(H2,26,27)
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n/an/a 690n/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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438209
PNG
(CHEMBL2407959)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccnc1
Show InChI InChI=1S/C22H22N6O2/c1-14(29)27-7-4-17(5-8-27)28-13-16(11-26-28)19-12-25-22(23)21-18(19)9-20(30-21)15-3-2-6-24-10-15/h2-3,6,9-13,17H,4-5,7-8H2,1H3,(H2,23,25)
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n/an/a 710n/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))
BDBM50438198
PNG
(CHEMBL2407785)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1CO
Show InChI InChI=1S/C24H25N5O3/c1-15(31)28-8-6-18(7-9-28)29-13-17(11-27-29)21-12-26-24(25)23-20(21)10-22(32-23)19-5-3-2-4-16(19)14-30/h2-5,10-13,18,30H,6-9,14H2,1H3,(H2,25,26)
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n/an/a 750n/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))
BDBM50438208
PNG
(CHEMBL2407793)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(N)c1
Show InChI InChI=1S/C23H24N6O2/c1-14(30)28-7-5-18(6-8-28)29-13-16(11-27-29)20-12-26-23(25)22-19(20)10-21(31-22)15-3-2-4-17(24)9-15/h2-4,9-13,18H,5-8,24H2,1H3,(H2,25,26)
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n/an/a 770n/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))
BDBM50438182
PNG
(CHEMBL2407771)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(CN)c1
Show InChI InChI=1S/C24H26N6O2/c1-15(31)29-7-5-19(6-8-29)30-14-18(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)17-4-2-3-16(9-17)11-25/h2-4,9-10,12-14,19H,5-8,11,25H2,1H3,(H2,26,27)
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n/an/a 790n/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))
BDBM50438207
PNG
(CHEMBL2407960)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)C1=CCNCC1
Show InChI InChI=1S/C22H26N6O2/c1-14(29)27-8-4-17(5-9-27)28-13-16(11-26-28)19-12-25-22(23)21-18(19)10-20(30-21)15-2-6-24-7-3-15/h2,10-13,17,24H,3-9H2,1H3,(H2,23,25)
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n/an/a 800n/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))
BDBM50438206
PNG
(CHEMBL2407772)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(CO)c1
Show InChI InChI=1S/C24H25N5O3/c1-15(31)28-7-5-19(6-8-28)29-13-18(11-27-29)21-12-26-24(25)23-20(21)10-22(32-23)17-4-2-3-16(9-17)14-30/h2-4,9-13,19,30H,5-8,14H2,1H3,(H2,25,26)
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n/an/a 850n/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))
BDBM50438205
PNG
(CHEMBL2407778)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cnsc1
Show InChI InChI=1S/C20H20N6O2S/c1-12(27)25-4-2-15(3-5-25)26-10-13(7-23-26)17-9-22-20(21)19-16(17)6-18(28-19)14-8-24-29-11-14/h6-11,15H,2-5H2,1H3,(H2,21,22)
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n/an/a 880n/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))
BDBM50438193
PNG
(CHEMBL2407775)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(N)cc1
Show InChI InChI=1S/C23H24N6O2/c1-14(30)28-8-6-18(7-9-28)29-13-16(11-27-29)20-12-26-23(25)22-19(20)10-21(31-22)15-2-4-17(24)5-3-15/h2-5,10-13,18H,6-9,24H2,1H3,(H2,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438187
PNG
(CHEMBL2407769)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C25H25N5O3/c1-15(31)17-4-3-5-18(10-17)23-11-21-22(13-27-25(26)24(21)33-23)19-12-28-30(14-19)20-6-8-29(9-7-20)16(2)32/h3-5,10-14,20H,6-9H2,1-2H3,(H2,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438201
PNG
(CHEMBL2407762)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c1-17(33)31-11-9-20(10-12-31)32-16-19(14-30-32)24-15-29-27(28)26-23(24)13-25(34-26)22-8-4-6-18-5-2-3-7-21(18)22/h2-8,13-16,20H,9-12H2,1H3,(H2,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438204
PNG
(CHEMBL2407958)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1
Show InChI InChI=1S/C23H23N5O2/c1-15(29)27-9-7-18(8-10-27)28-14-17(12-26-28)20-13-25-23(24)22-19(20)11-21(30-22)16-5-3-2-4-6-16/h2-6,11-14,18H,7-10H2,1H3,(H2,24,25)
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n/an/a 1.10E+3n/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))
BDBM50438200
PNG
(CHEMBL2407791)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H28N6O4S/c1-16(32)30-9-7-19(8-10-30)31-15-18(13-28-31)22-14-27-25(26)24-21(22)12-23(35-24)17-5-4-6-20(11-17)36(33,34)29(2)3/h4-6,11-15,19H,7-10H2,1-3H3,(H2,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438179
PNG
(CHEMBL2407789)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C24H25N5O4S/c1-15(30)28-8-6-18(7-9-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(33-23)16-4-3-5-19(10-16)34(2,31)32/h3-5,10-14,18H,6-9H2,1-2H3,(H2,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438201
PNG
(CHEMBL2407762)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c1-17(33)31-11-9-20(10-12-31)32-16-19(14-30-32)24-15-29-27(28)26-23(24)13-25(34-26)22-8-4-6-18-5-2-3-7-21(18)22/h2-8,13-16,20H,9-12H2,1H3,(H2,28,29)
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n/an/a 1.20E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438203
PNG
(CHEMBL2407963)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)C1=CCCC1
Show InChI InChI=1S/C22H25N5O2/c1-14(28)26-8-6-17(7-9-26)27-13-16(11-25-27)19-12-24-22(23)21-18(19)10-20(29-21)15-4-2-3-5-15/h4,10-13,17H,2-3,5-9H2,1H3,(H2,23,24)
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n/an/a 1.20E+3n/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))
BDBM50438181
PNG
(CHEMBL2407788)
Show SMILES CSc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H25N5O2S/c1-15(30)28-8-6-18(7-9-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(31-23)16-4-3-5-19(10-16)32-2/h3-5,10-14,18H,6-9H2,1-2H3,(H2,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438202
PNG
(CHEMBL2407968)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cnco1
Show InChI InChI=1S/C20H20N6O3/c1-12(27)25-4-2-14(3-5-25)26-10-13(7-24-26)16-8-23-20(21)19-15(16)6-17(29-19)18-9-22-11-28-18/h6-11,14H,2-5H2,1H3,(H2,21,23)
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n/an/a 1.20E+3n/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))
BDBM50438194
PNG
(CHEMBL2407796)
Show SMILES COc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H25N5O3/c1-15(30)28-8-6-18(7-9-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(32-23)16-4-3-5-19(10-16)31-2/h3-5,10-14,18H,6-9H2,1-2H3,(H2,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438225
PNG
(CHEMBL2407766)
Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2cc(oc12)-c1cccc2ccsc12
Show InChI InChI=1S/C23H21N5OS/c24-23-21-18(10-20(29-21)17-3-1-2-14-6-9-30-22(14)17)19(12-26-23)15-11-27-28(13-15)16-4-7-25-8-5-16/h1-3,6,9-13,16,25H,4-5,7-8H2,(H2,24,26)
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n/an/a 1.20E+3n/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))
BDBM50438192
PNG
(CHEMBL2407786)
Show SMILES COCc1ccccc1-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H27N5O3/c1-16(31)29-9-7-19(8-10-29)30-14-18(12-28-30)22-13-27-25(26)24-21(22)11-23(33-24)20-6-4-3-5-17(20)15-32-2/h3-6,11-14,19H,7-10,15H2,1-2H3,(H2,26,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438199
PNG
(CHEMBL2407764)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cnc2cnccn12
Show InChI InChI=1S/C23H22N8O2/c1-14(32)29-5-2-16(3-6-29)31-13-15(9-28-31)18-10-27-23(24)22-17(18)8-20(33-22)19-11-26-21-12-25-4-7-30(19)21/h4,7-13,16H,2-3,5-6H2,1H3,(H2,24,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438200
PNG
(CHEMBL2407791)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H28N6O4S/c1-16(32)30-9-7-19(8-10-30)31-15-18(13-28-31)22-14-27-25(26)24-21(22)12-23(35-24)17-5-4-6-20(11-17)36(33,34)29(2)3/h4-6,11-15,19H,7-10H2,1-3H3,(H2,26,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438191
PNG
(CHEMBL2407756)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(CC#N)cc1
Show InChI InChI=1S/C25H24N6O2/c1-16(32)30-10-7-20(8-11-30)31-15-19(13-29-31)22-14-28-25(27)24-21(22)12-23(33-24)18-4-2-17(3-5-18)6-9-26/h2-5,12-15,20H,6-8,10-11H2,1H3,(H2,27,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438198
PNG
(CHEMBL2407785)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1CO
Show InChI InChI=1S/C24H25N5O3/c1-15(31)28-8-6-18(7-9-28)29-13-17(11-27-29)21-12-26-24(25)23-20(21)10-22(32-23)19-5-3-2-4-16(19)14-30/h2-5,10-13,18,30H,6-9,14H2,1H3,(H2,25,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438188
PNG
(CHEMBL2407768)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H22F3N5O2/c1-14(33)31-7-5-18(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-17(9-15)24(25,26)27/h2-4,9-13,18H,5-8H2,1H3,(H2,28,29)
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n/an/a 1.60E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438197
PNG
(CHEMBL2407967)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C21H23N7O2/c1-13(29)27-5-3-16(4-6-27)28-12-14(8-25-28)18-10-23-21(22)20-17(18)7-19(30-20)15-9-24-26(2)11-15/h7-12,16H,3-6H2,1-2H3,(H2,22,23)
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n/an/a 1.60E+3n/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))
BDBM50438196
PNG
(CHEMBL2407781)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1C#N
Show InChI InChI=1S/C24H22N6O2/c1-15(31)29-8-6-18(7-9-29)30-14-17(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)19-5-3-2-4-16(19)11-25/h2-5,10,12-14,18H,6-9H2,1H3,(H2,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438193
PNG
(CHEMBL2407775)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(N)cc1
Show InChI InChI=1S/C23H24N6O2/c1-14(30)28-8-6-18(7-9-28)29-13-16(11-27-29)20-12-26-23(25)22-19(20)10-21(31-22)15-2-4-17(24)5-3-15/h2-5,10-13,18H,6-9,24H2,1H3,(H2,25,26)
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n/an/a 1.80E+3n/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))
BDBM50438192
PNG
(CHEMBL2407786)
Show SMILES COCc1ccccc1-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H27N5O3/c1-16(31)29-9-7-19(8-10-29)30-14-18(12-28-30)22-13-27-25(26)24-21(22)11-23(33-24)20-6-4-3-5-17(20)15-32-2/h3-6,11-14,19H,7-10,15H2,1-2H3,(H2,26,27)
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n/an/a 1.80E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438195
PNG
(CHEMBL2407790)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C23H24N6O4S/c1-14(30)28-7-5-17(6-8-28)29-13-16(11-27-29)20-12-26-23(24)22-19(20)10-21(33-22)15-3-2-4-18(9-15)34(25,31)32/h2-4,9-13,17H,5-8H2,1H3,(H2,24,26)(H2,25,31,32)
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n/an/a 1.80E+3n/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))
BDBM50438194
PNG
(CHEMBL2407796)
Show SMILES COc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H25N5O3/c1-15(30)28-8-6-18(7-9-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(32-23)16-4-3-5-19(10-16)31-2/h3-5,10-14,18H,6-9H2,1-2H3,(H2,25,26)
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n/an/a 1.80E+3n/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))
BDBM50438183
PNG
(CHEMBL2407957)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C24H22F3N5O3/c1-14(33)31-7-5-17(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-18(9-15)35-24(25,26)27/h2-4,9-13,17H,5-8H2,1H3,(H2,28,29)
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n/an/a 1.80E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438191
PNG
(CHEMBL2407756)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(CC#N)cc1
Show InChI InChI=1S/C25H24N6O2/c1-16(32)30-10-7-20(8-11-30)31-15-19(13-29-31)22-14-28-25(27)24-21(22)12-23(33-24)18-4-2-17(3-5-18)6-9-26/h2-5,12-15,20H,6-8,10-11H2,1H3,(H2,27,28)
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n/an/a 1.90E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438190
PNG
(CHEMBL2407964)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)C1CCCC1
Show InChI InChI=1S/C22H27N5O2/c1-14(28)26-8-6-17(7-9-26)27-13-16(11-25-27)19-12-24-22(23)21-18(19)10-20(29-21)15-4-2-3-5-15/h10-13,15,17H,2-9H2,1H3,(H2,23,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438189
PNG
(CHEMBL2407098)
Show SMILES CN(C)c1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H28N6O2/c1-16(32)30-9-7-19(8-10-30)31-15-18(13-28-31)22-14-27-25(26)24-21(22)12-23(33-24)17-5-4-6-20(11-17)29(2)3/h4-6,11-15,19H,7-10H2,1-3H3,(H2,26,27)
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n/an/a 2.40E+3n/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))
BDBM50438186
PNG
(CHEMBL2407753)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22N6O2/c1-15(31)29-8-6-19(7-9-29)30-14-18(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)17-4-2-16(11-25)3-5-17/h2-5,10,12-14,19H,6-9H2,1H3,(H2,26,27)
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n/an/a 2.50E+3n/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))
BDBM50438226
PNG
(CHEMBL2407765)
Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C21H21N5O/c22-21-20-17(10-19(27-20)14-4-2-1-3-5-14)18(12-24-21)15-11-25-26(13-15)16-6-8-23-9-7-16/h1-5,10-13,16,23H,6-9H2,(H2,22,24)
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n/an/a 2.70E+3n/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))
BDBM50438184
PNG
(CHEMBL2407956)
Show SMILES COCCOc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H29N5O4/c1-17(32)30-8-6-20(7-9-30)31-16-19(14-29-31)23-15-28-26(27)25-22(23)13-24(35-25)18-4-3-5-21(12-18)34-11-10-33-2/h3-5,12-16,20H,6-11H2,1-2H3,(H2,27,28)
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n/an/a 2.70E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438186
PNG
(CHEMBL2407753)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22N6O2/c1-15(31)29-8-6-19(7-9-29)30-14-18(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)17-4-2-16(11-25)3-5-17/h2-5,10,12-14,19H,6-9H2,1H3,(H2,26,27)
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n/an/a 2.80E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438188
PNG
(CHEMBL2407768)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H22F3N5O2/c1-14(33)31-7-5-18(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-17(9-15)24(25,26)27/h2-4,9-13,18H,5-8H2,1H3,(H2,28,29)
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n/an/a 2.80E+3n/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))
BDBM50438187
PNG
(CHEMBL2407769)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C25H25N5O3/c1-15(31)17-4-3-5-18(10-17)23-11-21-22(13-27-25(26)24(21)33-23)19-12-28-30(14-19)20-6-8-29(9-7-20)16(2)32/h3-5,10-14,20H,6-9H2,1-2H3,(H2,26,27)
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n/an/a 2.80E+3n/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))
BDBM50438180
PNG
(CHEMBL2407755)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(CO)cc1
Show InChI InChI=1S/C24H25N5O3/c1-15(31)28-8-6-19(7-9-28)29-13-18(11-27-29)21-12-26-24(25)23-20(21)10-22(32-23)17-4-2-16(14-30)3-5-17/h2-5,10-13,19,30H,6-9,14H2,1H3,(H2,25,26)
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n/an/a 2.80E+3n/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))
BDBM50438185
PNG
(CHEMBL2407770)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H24N6O3/c1-14(31)29-7-5-18(6-8-29)30-13-17(11-28-30)20-12-27-23(25)22-19(20)10-21(33-22)15-3-2-4-16(9-15)24(26)32/h2-4,9-13,18H,5-8H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 3.10E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438177
PNG
(CHEMBL2407783)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1C(C)=O
Show InChI InChI=1S/C25H25N5O3/c1-15(31)19-5-3-4-6-20(19)23-11-21-22(13-27-25(26)24(21)33-23)17-12-28-30(14-17)18-7-9-29(10-8-18)16(2)32/h3-6,11-14,18H,7-10H2,1-2H3,(H2,26,27)
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n/an/a 3.10E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438174
PNG
(CHEMBL2407794)
Show SMILES CC(=O)Nc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H26N6O3/c1-15(32)29-19-5-3-4-17(10-19)23-11-21-22(13-27-25(26)24(21)34-23)18-12-28-31(14-18)20-6-8-30(9-7-20)16(2)33/h3-5,10-14,20H,6-9H2,1-2H3,(H2,26,27)(H,29,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438184
PNG
(CHEMBL2407956)
Show SMILES COCCOc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H29N5O4/c1-17(32)30-8-6-20(7-9-30)31-16-19(14-29-31)23-15-28-26(27)25-22(23)13-24(35-25)18-4-3-5-21(12-18)34-11-10-33-2/h3-5,12-16,20H,6-11H2,1-2H3,(H2,27,28)
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n/an/a 3.20E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438183
PNG
(CHEMBL2407957)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C24H22F3N5O3/c1-14(33)31-7-5-17(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-18(9-15)35-24(25,26)27/h2-4,9-13,17H,5-8H2,1H3,(H2,28,29)
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n/an/a 3.50E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438175
PNG
(CHEMBL2407752)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H22F3N5O3/c1-14(33)31-8-6-17(7-9-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-2-4-18(5-3-15)35-24(25,26)27/h2-5,10-13,17H,6-9H2,1H3,(H2,28,29)
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n/an/a 3.50E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438182
PNG
(CHEMBL2407771)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(CN)c1
Show InChI InChI=1S/C24H26N6O2/c1-15(31)29-7-5-19(6-8-29)30-14-18(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)17-4-2-3-16(9-17)11-25/h2-4,9-10,12-14,19H,5-8,11,25H2,1H3,(H2,26,27)
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n/an/a 4.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438181
PNG
(CHEMBL2407788)
Show SMILES CSc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H25N5O2S/c1-15(30)28-8-6-18(7-9-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(31-23)16-4-3-5-19(10-16)32-2/h3-5,10-14,18H,6-9H2,1-2H3,(H2,25,26)
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n/an/a 4.30E+3n/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))
BDBM50438180
PNG
(CHEMBL2407755)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(CO)cc1
Show InChI InChI=1S/C24H25N5O3/c1-15(31)28-8-6-19(7-9-28)29-13-18(11-27-29)21-12-26-24(25)23-20(21)10-22(32-23)17-4-2-16(14-30)3-5-17/h2-5,10-13,19,30H,6-9,14H2,1H3,(H2,25,26)
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n/an/a 4.40E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438176
PNG
(CHEMBL2407784)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1C(N)=O
Show InChI InChI=1S/C24H24N6O3/c1-14(31)29-8-6-16(7-9-29)30-13-15(11-28-30)20-12-27-23(25)22-19(20)10-21(33-22)17-4-2-3-5-18(17)24(26)32/h2-5,10-13,16H,6-9H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 4.50E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438178
PNG
(CHEMBL2407776)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C24H26N6O4S/c1-15(31)29-9-7-19(8-10-29)30-14-17(12-27-30)21-13-26-24(25)23-20(21)11-22(34-23)16-3-5-18(6-4-16)28-35(2,32)33/h3-6,11-14,19,28H,7-10H2,1-2H3,(H2,25,26)
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n/an/a 4.90E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438179
PNG
(CHEMBL2407789)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C24H25N5O4S/c1-15(30)28-8-6-18(7-9-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(33-23)16-4-3-5-19(10-16)34(2,31)32/h3-5,10-14,18H,6-9H2,1-2H3,(H2,25,26)
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n/an/a 4.90E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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))
BDBM50438172
PNG
(CHEMBL2407773)
Show SMILES CSc1ccc(cc1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H25N5O2S/c1-15(30)28-9-7-18(8-10-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(31-23)16-3-5-19(32-2)6-4-16/h3-6,11-14,18H,7-10H2,1-2H3,(H2,25,26)
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n/an/a 5.20E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438177
PNG
(CHEMBL2407783)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1C(C)=O
Show InChI InChI=1S/C25H25N5O3/c1-15(31)19-5-3-4-6-20(19)23-11-21-22(13-27-25(26)24(21)33-23)17-12-28-30(14-17)18-7-9-29(10-8-18)16(2)32/h3-6,11-14,18H,7-10H2,1-2H3,(H2,26,27)
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n/an/a 5.40E+3n/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))
BDBM50438176
PNG
(CHEMBL2407784)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1C(N)=O
Show InChI InChI=1S/C24H24N6O3/c1-14(31)29-8-6-16(7-9-29)30-13-15(11-28-30)20-12-27-23(25)22-19(20)10-21(33-22)17-4-2-3-5-18(17)24(26)32/h2-5,10-13,16H,6-9H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 6.00E+3n/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))
BDBM50438175
PNG
(CHEMBL2407752)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H22F3N5O3/c1-14(33)31-8-6-17(7-9-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-2-4-18(5-3-15)35-24(25,26)27/h2-5,10-13,17H,6-9H2,1H3,(H2,28,29)
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n/an/a 8.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438174
PNG
(CHEMBL2407794)
Show SMILES CC(=O)Nc1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H26N6O3/c1-15(32)29-19-5-3-4-17(10-19)23-11-21-22(13-27-25(26)24(21)34-23)18-12-28-31(14-18)20-6-8-30(9-7-20)16(2)33/h3-5,10-14,20H,6-9H2,1-2H3,(H2,26,27)(H,29,32)
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n/an/a 9.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
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 9.10E+3n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 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))
BDBM50438172
PNG
(CHEMBL2407773)
Show SMILES CSc1ccc(cc1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H25N5O2S/c1-15(30)28-9-7-18(8-10-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(31-23)16-3-5-19(32-2)6-4-16/h3-6,11-14,18H,7-10H2,1-2H3,(H2,25,26)
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n/an/a 1.75E+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
TAK1/TAB1


(Homo sapiens (Human))
BDBM50438171
PNG
(CHEMBL2407774)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H25N5O4S/c1-15(30)28-9-7-18(8-10-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(33-23)16-3-5-19(6-4-16)34(2,31)32/h3-6,11-14,18H,7-10H2,1-2H3,(H2,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of 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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438171
PNG
(CHEMBL2407774)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H25N5O4S/c1-15(30)28-9-7-18(8-10-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(33-23)16-3-5-19(6-4-16)34(2,31)32/h3-6,11-14,18H,7-10H2,1-2H3,(H2,25,26)
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n/an/a 2.57E+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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438228
PNG
(CHEMBL2407782)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H22F3N5O2/c1-14(33)31-8-6-16(7-9-31)32-13-15(11-30-32)19-12-29-23(28)22-18(19)10-21(34-22)17-4-2-3-5-20(17)24(25,26)27/h2-5,10-13,16H,6-9H2,1H3,(H2,28,29)
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n/an/a>3.00E+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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438227
PNG
(CHEMBL2407754)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H28N6O3/c1-16(33)31-10-8-20(9-11-31)32-15-19(13-29-32)22-14-28-25(27)24-21(22)12-23(35-24)17-4-6-18(7-5-17)26(34)30(2)3/h4-7,12-15,20H,8-11H2,1-3H3,(H2,27,28)
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n/an/a>3.00E+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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50438229
PNG
(CHEMBL2407780)
Show SMILES CC(=O)Nc1ccccc1-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H26N6O3/c1-15(32)29-22-6-4-3-5-19(22)23-11-20-21(13-27-25(26)24(20)34-23)17-12-28-31(14-17)18-7-9-30(10-8-18)16(2)33/h3-6,11-14,18H,7-10H2,1-2H3,(H2,26,27)(H,29,32)
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n/an/a>3.00E+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
* indicates data uncertainty>20%