Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase 11
Ligand
BDBM356235
Substrate
n/a
Meas. Tech.
ChEMBL_986642 (CHEMBL2437702)
IC50
2700±n/a nM
Citation
 Goodfellow, VS; Loweth, CJ; Ravula, SB; Wiemann, T; Nguyen, T; Xu, Y; Todd, DE; Sheppard, D; Pollack, S; Polesskaya, O; Marker, DF; Dewhurst, S; Gelbard, HA Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3. J Med Chem 56:8032-48 (2013) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase 11
Synonyms:
M3K11_MOUSE | Map3k11 | Mixed lineage kinase 3 | Mlk3
Type:
PROTEIN
Mol. Mass.:
93237.89
Organism:
Mus musculus
Description:
ChEMBL_107667
Residue:
850
Sequence:
MEPLKNLFLKSPLGSWNGSGSGGGGGTGGVRPEGSPKATAAYANPVWTALFDYEPNGQDELALRKGDRVEVLSRDAAISGDEGWWAGQVGGQVGIFPSNYVSRGGGPPPCEVASFQELRLEEVIGIGGFGKVYRGSWRGELVAVKAARQDPDEDISVTAESVRQEARLFAMLAHPNIIALKAVCLEEPNLCLVMEYAAGGPLSRALAGRRVPPHVLVNWAVQIARGMHYLHCEALVPVIHRDLKSNNILLLQPIEGDDMEHKTLKITDFGLAREWHKTTQMSAAGTYAWMAPEVIKASTFSKGSDVWSFGVLLWELLTGEVPYRGIDCLAVAYGVAVNKLTLPIPSTCPEPFAQLMADCWAQDPHRRPDFASILQQLEALEAQVLREMPRDSFHSMQEGWKREIQGLFDELRAKEKELLSREEELTRAAREQRSQAEQLRRREHLLAQWELEVFERELTLLLQQVDRERPHVRRRRGTFKRSKLRARDGGERISMPLDFKHRITVQASPGLDRRRNVFEVGAGDSPTFPRFRAIQLEPTESGQTWGRQSPRRLEDSSNGERRACWAWGPSSPKPGEAQNGRRRSRMDEATWYLDSDDSSPLGSPSTPPALNGNPPRPSPEPEEPRRAGPTERGNSSGTPKLIQRALLRGTALLASLGLGRDLQPPGGLSRERGESPTAPPPAQMPSPCPPELPSTPLIRLSQTTPDAHSSPTPGPLLLDLGVPSGQPSAKSPRREETRGRTVSPPPGISRSAPGTPGTPRSPPLGLISRPRPSPLRSRIDPWSFVSAGPRPSPLPSPQPAPRRAPWTLFPDSDPFWDSPPANPFRGGSQDCRTQTKDMGAQAPWAPEAGP
  
Inhibitor
Name:
BDBM356235
Synonyms:
BDBM50441572 | US10485800, Example 1 | US9814704, Example 36
Type:
n/a
Emp. Form.:
C24H21N3O3
Mol. Mass.:
399.4418
SMILES:
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Structure:
Search PDB for entries with ligand similarity: