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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50007428   
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


(Homo sapiens (Human))
BDBM50509370
PNG
(CHEMBL4446434)
Show SMILES COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H12BrN3O2/c1-21-13-6-9(17)5-12-15(13)10(7-19-12)14-8-20-16(22-14)11-3-2-4-18-11/h2-8,18-19H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
BindingDB Entry DOI: 10.7270/Q26M3B4R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50509365
PNG
(CHEMBL4564337)
Show SMILES COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
Show InChI InChI=1S/C16H12BrN3O2/c1-21-14-5-9-10(7-19-13(9)6-11(14)17)15-8-20-16(22-15)12-3-2-4-18-12/h2-8,18-19H,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
BindingDB Entry DOI: 10.7270/Q26M3B4R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50509366
PNG
(CHEMBL4555884)
Show SMILES COc1cc(Br)cc2[nH]cc(-c3oc(nc3I)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-12-6-8(17)5-11-13(12)9(7-20-11)14-15(18)21-16(23-14)10-3-2-4-19-10/h2-7,19-20H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
BindingDB Entry DOI: 10.7270/Q26M3B4R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50509368
PNG
(CHEMBL4475097)
Show SMILES COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc(Br)[nH]3)c12
Show InChI InChI=1S/C16H11Br2N3O2/c1-22-12-5-8(17)4-11-15(12)9(6-19-11)13-7-20-16(23-13)10-2-3-14(18)21-10/h2-7,19,21H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
BindingDB Entry DOI: 10.7270/Q26M3B4R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
BindingDB Entry DOI: 10.7270/Q26M3B4R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50509367
PNG
(CHEMBL4476426)
Show SMILES COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3cc(Br)c[nH]3)c12
Show InChI InChI=1S/C16H11Br2N3O2/c1-22-13-4-8(17)2-11-15(13)10(6-20-11)14-7-21-16(23-14)12-3-9(18)5-19-12/h2-7,19-20H,1H3
PDB
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n/an/a 3.60E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
BindingDB Entry DOI: 10.7270/Q26M3B4R
More data for this
Ligand-Target Pair