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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407872
Substrate
n/a
Meas. Tech.
IRAK4 Monocyte TNFalpha Cell Based Assay
IC50
<1.000±n/a nM
Citation
 Bacon, EM; Brizgys, G; Chin, E; Chou, C; Cottell, JJ; Link, JO; Taylor, JG; Tse, WC; Wright, NE; Yang, Z; Zhang, JR; Zipfel, SM Pyrrolo[1,2-b]pyridazine derivatives US Patent  US10336762 Publication Date 7/2/2019 
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:
BDBM407872
Synonyms:
US10336762, Compound 816 | methyl (((1r,3r)-3-((5- ((3-((tert-butoxy- carbonyl)amino)-3- methylbutyl)carbamoyl)- 2-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)pyridin-4- yl)amino)cyclobutyl) methyl)carbamate
Type:
Small organic molecule
Emp. Form.:
C31H40N8O5
Mol. Mass.:
604.6999
SMILES:
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N |r,wU:6.5,wD:8.10,(11.53,3.78,;10.19,3.01,;8.86,3.78,;8.86,5.32,;7.52,3.01,;6.19,3.78,;4.86,3.01,;4.46,1.52,;2.97,1.92,;3.37,3.41,;1.64,1.15,;1.64,-.39,;2.97,-1.16,;2.97,-2.7,;1.64,-3.47,;.3,-2.7,;.3,-1.16,;-1.03,-.39,;-1.03,1.15,;-2.36,-1.16,;-3.7,-.39,;-5.03,-1.16,;-6.36,-.39,;-7.7,-1.16,;-6.36,1.15,;-7.7,.38,;-9.03,-.39,;-9.03,-1.93,;-10.37,.38,;-10.37,1.92,;-11.7,2.69,;-9.03,2.69,;-10.37,3.46,;4.3,-3.47,;4.47,-5,;5.97,-5.32,;6.74,-3.99,;8.25,-3.67,;8.72,-2.2,;7.69,-1.06,;6.19,-1.38,;5.71,-2.84,;10.21,-1.8,;11.7,-1.4,)|
Structure:
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