Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407884
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:
BDBM407884
Synonyms:
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2- fluoro-3-hydroxy-3- methylbutyl)-4-(((1r,3R)- 3-((1-fluorocyclopropane- 1-carboxamido)methyl) cyclobutyl)amino) nicotinamide | US10336762, Compound 828
Type:
Small organic molecule
Emp. Form.:
C28H31F2N7O3
Mol. Mass.:
551.5876
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2(F)CC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:19.20,4.4,wD:17.17,(-9.72,-1.16,;-8.38,-.39,;-8.38,1.15,;-9.72,.38,;-7.05,-1.16,;-7.05,-2.7,;-5.71,-.39,;-4.38,-1.16,;-3.05,-.39,;-3.05,1.15,;-1.71,-1.16,;-1.71,-2.7,;-.38,-3.47,;.95,-2.7,;.95,-1.16,;-.38,-.39,;-.38,1.15,;.95,1.92,;2.44,1.52,;2.84,3.01,;4.17,3.78,;5.51,3.01,;6.84,3.78,;6.84,5.32,;8.18,3.01,;8.57,4.5,;8.95,1.68,;9.72,3.01,;1.35,3.41,;2.29,-3.47,;2.45,-5,;3.96,-5.32,;4.73,-3.99,;6.23,-3.67,;6.71,-2.2,;5.68,-1.06,;4.17,-1.38,;3.69,-2.84,;8.2,-1.8,;9.68,-1.4,)|
Structure:
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