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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 7' and Ligand = 'BDBM50187111'   
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))
BDBM50187111
PNG
(CHEMBL3823738)
Show SMILES CC(C)Oc1c(NC(=O)c2csc3c2nc[nH]c3=O)cccc1C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)
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n/an/a 11n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)