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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407446
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:
BDBM407446
Synonyms:
N-(cyanomethyl)-6-(3- cyanopyrrolo[1,2-b] pyridazin-7-yl)-4- (((1s,3s)-3-hydroxy-3- methylcyclobutyl)amino) nicotinamide | US10336762, Compound 388
Type:
Small organic molecule
Emp. Form.:
C21H19N7O2
Mol. Mass.:
401.4213
SMILES:
C[C@@]1(O)C[C@@H](C1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:4.6,1.1,wD:1.0,(3.52,3.01,;2.19,3.78,;3.52,4.55,;.7,4.18,;.3,2.69,;1.79,2.29,;-1.03,1.92,;-1.03,.38,;.3,-.39,;.3,-1.93,;-1.03,-2.7,;-2.36,-1.93,;-2.36,-.39,;-3.7,.38,;-3.7,1.92,;-5.03,-.39,;-6.36,.38,;-7.7,-.39,;-9.03,-1.16,;1.64,-2.7,;1.8,-4.23,;3.3,-4.55,;4.07,-3.22,;5.58,-2.9,;6.06,-1.43,;5.03,-.29,;3.52,-.61,;3.04,-2.07,;7.54,-1.03,;9.03,-.63,)|
Structure:
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