Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407888
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:
BDBM407888
Synonyms:
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2- fluoro-3-hydroxy-3- methylbutyl)-4-(((5R,8r)- 2-oxo-1-azaspiro[4.5] decan-8-yl)amino) nicotinamide | US10336762, Compound 832
Type:
Small organic molecule
Emp. Form.:
C28H32FN7O3
Mol. Mass.:
533.5972
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC2(CCC(=O)N2)CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.82,;-8.37,-1.05,;-8.37,.49,;-9.7,-.28,;-7.03,-1.82,;-7.03,-3.36,;-5.7,-1.05,;-4.36,-1.82,;-3.03,-1.05,;-3.03,.49,;-1.7,-1.82,;-1.7,-3.36,;-.36,-4.13,;.97,-3.36,;.97,-1.82,;-.36,-1.05,;-.36,.49,;.97,1.26,;2.3,.49,;3.64,1.26,;3.64,2.8,;5.04,2.17,;6.08,3.32,;5.31,4.65,;6.08,5.98,;3.8,4.33,;2.3,3.57,;.97,2.8,;2.3,-4.13,;2.47,-5.66,;3.97,-5.98,;4.74,-4.65,;6.25,-4.33,;6.72,-2.87,;5.69,-1.72,;4.19,-2.04,;3.71,-3.51,;8.21,-2.47,;9.7,-2.07,)|
Structure:
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