Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50593695
Substrate
n/a
Meas. Tech.
ChEMBL_2209828 (CHEMBL5122777)
IC50
1.000000±n/a nM
Citation
 Cumming, IA; Degorce, SL; Aagaard, A; Braybrooke, EL; Davies, NL; Dične, CR; Eatherton, AJ; Felstead, HR; Groombridge, SD; Lenz, EM; Li, Y; Nai, Y; Pearson, S; Robb, GR; Scott, JS; Steward, OR; Wu, C; Xue, Y; Zhang, L; Zhang, Y Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg Med Chem 63:0 (2022) [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:
BDBM50593695
Synonyms:
CHEMBL5209502
Type:
Small organic molecule
Emp. Form.:
C21H27FN8O
Mol. Mass.:
426.4905
SMILES:
CN1CC[C@@H]([C@@H](F)C1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1 |r|
Structure:
Search PDB for entries with ligand similarity: