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Target
Mitogen-activated protein kinase kinase kinase 11
Ligand
BDBM50441573
Substrate
n/a
Meas. Tech.
Radiometric Filter Plate Assay
IC50
<100±n/a nM
Citation
 Gelbard, HA; Dewhurst, S; Goodfellow, VS; Loweth, CJ; Wiemann, T Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors US Patent  US9814704 Publication Date 11/14/2017 
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:
BDBM50441573
Synonyms:
CHEMBL2436979 | US10485800, Example 40 | US9814704, Example 40
Type:
Small organic molecule
Emp. Form.:
C22H19N5O4
Mol. Mass.:
417.4174
SMILES:
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Structure:
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