Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase 9
Ligand
BDBM50402409
Substrate
n/a
Meas. Tech.
ChEMBL_886360 (CHEMBL2212850)
IC50
370±n/a nM
Citation
 Forsyth, T; Kearney, PC; Kim, BG; Johnson, HW; Aay, N; Arcalas, A; Brown, DS; Chan, V; Chen, J; Du, H; Epshteyn, S; Galan, AA; Huynh, TP; Ibrahim, MA; Kane, B; Koltun, ES; Mann, G; Meyr, LE; Lee, MS; Lewis, GL; Noguchi, RT; Pack, M; Ridgway, BH; Shi, X; Takeuchi, CS; Zu, P; Leahy, JW; Nuss, JM; Aoyama, R; Engst, S; Gendreau, SB; Kassees, R; Li, J; Lin, SH; Martini, JF; Stout, T; Tong, P; Woolfrey, J; Zhang, W; Yu, P SAR and in vivo evaluation of 4-aryl-2-aminoalkylpyrimidines as potent and selective Janus kinase 2 (JAK2) inhibitors. Bioorg Med Chem Lett 22:7653-8 (2012) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase 9
Synonyms:
M3K9_HUMAN | MAP3K9 | MLK1 | Mitogen-activated protein kinase kinase kinase 9 | Mitogen-activated protein kinase kinase kinase 9 (MLK1) | Mixed Lineage Kinase 1 (MLK1) | PRKE1
Type:
protein
Mol. Mass.:
121881.51
Organism:
Homo sapiens (Human)
Description:
P80192
Residue:
1104
Sequence:
MEPSRALLGCLASAAAAAPPGEDGAGAGAEEEEEEEEEAAAAVGPGELGCDAPLPYWTAVFEYEAAGEDELTLRLGDVVEVLSKDSQVSGDEGWWTGQLNQRVGIFPSNYVTPRSAFSSRCQPGGEDPSCYPPIQLLEIDFAELTLEEIIGIGGFGKVYRAFWIGDEVAVKAARHDPDEDISQTIENVRQEAKLFAMLKHPNIIALRGVCLKEPNLCLVMEFARGGPLNRVLSGKRIPPDILVNWAVQIARGMNYLHDEAIVPIIHRDLKSSNILILQKVENGDLSNKILKITDFGLAREWHRTTKMSAAGTYAWMAPEVIRASMFSKGSDVWSYGVLLWELLTGEVPFRGIDGLAVAYGVAMNKLALPIPSTCPEPFAKLMEDCWNPDPHSRPSFTNILDQLTTIEESGFFEMPKDSFHCLQDNWKHEIQEMFDQLRAKEKELRTWEEELTRAALQQKNQEELLRRREQELAEREIDILERELNIIIHQLCQEKPRVKKRKGKFRKSRLKLKDGNRISLPSDFQHKFTVQASPTMDKRKSLINSRSSPPASPTIIPRLRAIQLTPGESSKTWGRSSVVPKEEGEEEEKRAPKKKGRTWGPGTLGQKELASGDEGSPQRREKANGLSTPSESPHFHLGLKSLVDGYKQWSSSAPNLVKGPRSSPALPGFTSLMEMEDEDSEGPGSGESRLQHSPSQSYLCIPFPRGEDGDGPSSDGIHEEPTPVNSATSTPQLTPTNSLKRGGAHHRRCEVALLGCGAVLAATGLGFDLLEAGKCQLLPLEEPEPPAREEKKRREGLFQRSSRPRRSTSPPSRKLFKKEEPMLLLGDPSASLTLLSLSSISECNSTRSLLRSDSDEIVVYEMPVSPVEAPPLSPCTHNPLVNVRVERFKRDPNQSLTPTHVTLTTPSQPSSHRRTPSDGALKPETLLASRSPSSNGLSPSPGAGMLKTPSPSRDPGEFPRLPDPNVVFPPTPRRWNTQQDSTLERPKTLEFLPRPRPSANRQRLDPWWFVSPSHARSTSPANSSSTETPSNLDSCFASSSSTVEERPGLPALLPFQAGPLPPTERTLLDLDAEGQSQDSTVPLCRAELNTHRPAPYEIQQEFWS
  
Inhibitor
Name:
BDBM50402409
Synonyms:
CHEMBL2208034
Type:
Small organic molecule
Emp. Form.:
C25H28N6O2
Mol. Mass.:
444.5288
SMILES:
O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1 |r|
Structure:
Search PDB for entries with ligand similarity: