Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407886
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:
BDBM407886
Synonyms:
US10336762, Compound 830 | methyl (((1R,3r)-3-((2- (3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-5-(((1r,4R)- 4-(cyclopropane carboxamido)cyclohexyl) carbamoyl)pyridin-4- yl)amino)cyclobutyl) methyl)carbamate
Type:
Small organic molecule
Emp. Form.:
C31H36N8O4
Mol. Mass.:
584.6687
SMILES:
COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:6.5,23.28,wD:8.10,(11.63,3.78,;10.3,3.01,;8.96,3.78,;8.96,5.32,;7.63,3.01,;6.29,3.78,;4.96,3.01,;4.56,1.52,;3.07,1.92,;3.47,3.41,;1.74,1.15,;1.74,-.39,;3.07,-1.16,;3.07,-2.7,;1.74,-3.47,;.41,-2.7,;.41,-1.16,;-.93,-.39,;-.93,1.15,;-2.26,-1.16,;-3.59,-.39,;-3.59,1.15,;-4.93,1.92,;-6.26,1.15,;-6.26,-.39,;-4.93,-1.16,;-7.6,1.92,;-8.93,1.15,;-8.93,-.39,;-10.26,1.92,;-11.03,3.25,;-11.8,1.92,;4.41,-3.47,;4.57,-5,;6.08,-5.32,;6.85,-3.99,;8.35,-3.67,;8.83,-2.2,;7.8,-1.06,;6.29,-1.38,;5.81,-2.84,;10.32,-1.8,;11.8,-1.4,)|
Structure:
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