Target
Mitogen-activated protein kinase kinase kinase 11
Ligand
BDBM50059190
Substrate
n/a
Meas. Tech.
ChEMBL_1460565 (CHEMBL3395597)
IC50
602±n/a nM
Citation
 Patel, SCohen, FDean, BJDe La Torre, KDeshmukh, GEstrada, AAGhosh, ASGibbons, PGustafson, AHuestis, MPLe Pichon, CELin, HLiu, WLiu, XLiu, YLy, CQLyssikatos, JPMa, CScearce-Levie, KShin, YGSolanoy, HStark, KLWang, JWang, BZhao, XLewcock, JWSiu, M Discovery of dual leucine zipper kinase (DLK, MAP3K12) inhibitors with activity in neurodegeneration models. J Med Chem 58:401-18 (2015) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase 11
Synonyms:
M3K11_HUMAN | MAP3K11 | MLK3 | Mitogen-activated protein kinase kinase kinase 11 | Mixed Lineage Kinase 3 (MLK3) | PTK1 | SPRK
Type:
PROTEIN
Mol. Mass.:
92696.93
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1460565
Residue:
847
Sequence:
MEPLKSLFLKSPLGSWNGSGSGGGGGGGGGRPEGSPKAAGYANPVWTALFDYEPSGQDELALRKGDRVEVLSRDAAISGDEGWWAGQVGGQVGIFPSNYVSRGGGPPPCEVASFQELRLEEVIGIGGFGKVYRGSWRGELVAVKAARQDPDEDISVTAESVRQEARLFAMLAHPNIIALKAVCLEEPNLCLVMEYAAGGPLSRALAGRRVPPHVLVNWAVQIARGMHYLHCEALVPVIHRDLKSNNILLLQPIESDDMEHKTLKITDFGLAREWHKTTQMSAAGTYAWMAPEVIKASTFSKGSDVWSFGVLLWELLTGEVPYRGIDCLAVAYGVAVNKLTLPIPSTCPEPFAQLMADCWAQDPHRRPDFASILQQLEALEAQVLREMPRDSFHSMQEGWKREIQGLFDELRAKEKELLSREEELTRAAREQRSQAEQLRRREHLLAQWELEVFERELTLLLQQVDRERPHVRRRRGTFKRSKLRARDGGERISMPLDFKHRITVQASPGLDRRRNVFEVGPGDSPTFPRFRAIQLEPAEPGQAWGRQSPRRLEDSSNGERRACWAWGPSSPKPGEAQNGRRRSRMDEATWYLDSDDSSPLGSPSTPPALNGNPPRPSLEPEEPKRPVPAERGSSSGTPKLIQRALLRGTALLASLGLGRDLQPPGGPGRERGESPTTPPTPTPAPCPTEPPPSPLICFSLKTPDSPPTPAPLLLDLGIPVGQRSAKSPRREEEPRGGTVSPPPGTSRSAPGTPGTPRSPPLGLISRPRPSPLRSRIDPWSFVSAGPRPSPLPSPQPAPRRAPWTLFPDSDPFWDSPPANPFQGGPQDCRAQTKDMGAQAPWVPEAGP
  
Inhibitor
Name:
BDBM50059190
Synonyms:
CHEMBL3393333
Type:
Small organic molecule
Emp. Form.:
C23H26F2N6O
Mol. Mass.:
440.4889
SMILES:
FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Structure:
Search PDB for entries with ligand similarity: