Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50593685
Substrate
n/a
Meas. Tech.
ChEMBL_2286276
IC50
2.0±n/a nM
Citation
 Degorce, SL; Aagaard, A; Anjum, R; Cumming, IA; Dične, CR; Fallan, C; Johnson, T; Leuchowius, KJ; Orton, AL; Pearson, S; Robb, GR; Rosen, A; Scarfe, GB; Scott, JS; Smith, JM; Steward, OR; Terstiege, I; Tucker, MJ; Turner, P; Wilkinson, SD; Wrigley, GL; Xue, Y Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg Med Chem 28:0 (2020) [PubMed] 
Target
Name:
Interleukin-1 receptor-associated kinase 4
Synonyms:
IRAK-4 | IRAK4 | IRAK4_HUMAN | Interleukin-1 receptor-associated kinase 4 (IRAK-4) | Interleukin-1 receptor-associated kinase 4 (IRAK4) | Renal carcinoma antigen NY-REN-64
Type:
Protein
Mol. Mass.:
51519.08
Organism:
Homo sapiens (Human)
Description:
Q9NWZ3
Residue:
460
Sequence:
MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
  
Inhibitor
Name:
BDBM50593685
Synonyms:
CHEMBL5179237
Type:
Small organic molecule
Emp. Form.:
C17H18N8
Mol. Mass.:
334.3784
SMILES:
Cn1cc(Nc2nc(NC3(C)CC3)c3nc(CC#N)ccc3n2)cn1
Structure:
Search PDB for entries with ligand similarity: