Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407839
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:
BDBM407839
Synonyms:
4-(((1r,3R)-3-((1H- imidazol-1-yl)methyl)cyclo- butyl)amino)-6-(3- cyanopyrrolo[1,2-b] pyridazin-7-yl)-N- ((R)-2-fluoro-3-hydroxy-3- methylbutyl)nicotinamide | US10336762, Compound 783
Type:
Small organic molecule
Emp. Form.:
C27H29FN8O2
Mol. Mass.:
516.57
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](Cn2ccnc2)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:19.20,(-9.7,-.67,;-8.37,.1,;-8.37,1.64,;-9.7,.87,;-7.03,-.67,;-7.03,-2.21,;-5.7,.1,;-4.36,-.67,;-3.03,.1,;-3.03,1.64,;-1.7,-.67,;-1.7,-2.21,;-.36,-2.98,;.97,-2.21,;.97,-.67,;-.36,.1,;-.36,1.64,;.97,2.41,;1.37,3.89,;2.86,3.5,;4.19,4.27,;5.68,3.87,;6.87,4.84,;8.17,4,;7.77,2.51,;6.23,2.43,;2.46,2.01,;2.3,-2.98,;2.47,-4.52,;3.97,-4.84,;4.74,-3.5,;6.25,-3.18,;6.72,-1.72,;5.69,-.57,;4.19,-.89,;3.71,-2.36,;8.21,-1.32,;9.7,-.92,)|
Structure:
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