Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407450
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:
BDBM407450
Synonyms:
6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N- ((R)-2-fluoro-3-hydroxy-3- methylbutyl)-4-(((1r,4R)- 4-(2-oxooxazolidin-3- yl)cyclohexyl)amino) nicotinamide | US10336762, Compound 392
Type:
Small organic molecule
Emp. Form.:
C28H32FN7O4
Mol. Mass.:
549.5966
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1.92,;-8.37,-1.15,;-8.37,.39,;-9.7,-.38,;-7.03,-1.92,;-7.03,-3.46,;-5.7,-1.15,;-4.36,-1.92,;-3.03,-1.15,;-3.03,.39,;-1.7,-1.92,;-1.7,-3.46,;-.36,-4.23,;.97,-3.46,;.97,-1.92,;-.36,-1.15,;-.36,.39,;.97,1.16,;2.3,.39,;3.64,1.16,;3.64,2.7,;2.3,3.47,;.97,2.7,;4.97,3.47,;6.38,2.84,;7.41,3.98,;6.64,5.32,;5.13,5,;4.04,6.09,;2.3,-4.23,;2.47,-5.77,;3.97,-6.09,;4.74,-4.75,;6.25,-4.43,;6.72,-2.97,;5.69,-1.82,;4.19,-2.14,;3.71,-3.61,;8.21,-2.57,;9.7,-2.17,)|
Structure:
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