Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50239496
Substrate
n/a
Meas. Tech.
ChEMBL_1666151 (CHEMBL4015947)
IC50
115±n/a nM
Citation
 Lee, KL; Ambler, CM; Anderson, DR; Boscoe, BP; Bree, AG; Brodfuehrer, JI; Chang, JS; Choi, C; Chung, S; Curran, KJ; Day, JE; Dehnhardt, CM; Dower, K; Drozda, SE; Frisbie, RK; Gavrin, LK; Goldberg, JA; Han, S; Hegen, M; Hepworth, D; Hope, HR; Kamtekar, S; Kilty, IC; Lee, A; Lin, LL; Lovering, FE; Lowe, MD; Mathias, JP; Morgan, HM; Murphy, EA; Papaioannou, N; Patny, A; Pierce, BS; Rao, VR; Saiah, E; Samardjiev, IJ; Samas, BM; Shen, MWH; Shin, JH; Soutter, HH; Strohbach, JW; Symanowicz, PT; Thomason, JR; Trzupek, JD; Vargas, R; Vincent, F; Yan, J; Zapf, CW; Wright, SW Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J Med Chem 60:5521-5542 (2017) [PubMed]  Article 
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:
Human
Description:
Q9NWZ3
Residue:
460
Sequence:
MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
  
Inhibitor
Name:
BDBM50239496
Synonyms:
CHEMBL4075552 | US10329302, Example 264 | US10793579, Example 264 | US11702424, Example 264
Type:
Small organic molecule
Emp. Form.:
C17H17N3O4
Mol. Mass.:
327.12
SMILES:
[H][C@]12C[C@@]1([H])C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
Structure:
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