Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM507687
Substrate
n/a
Meas. Tech.
IRAK4 Biochemical Assay
IC50
1.000±n/a nM
Citation
 Ammann, S; Bacon, EM; Brizgys, G; Chin, E; Chou, C; Cottell, JJ; Ndukwe, M; Shatskikh, M; Taylor, JG; Wright, NE; Yang, Z; Zipfel, SM Thiadiazole IRAK4 compounds US Patent  US11046686 Publication Date 6/29/2021 
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:
BDBM507687
Synonyms:
N-((1R,4r)-4-(5-(6-(3- cyanopyrrolo[1,2- b]pyridazin-7-yl)-4- (((1r,4R)-4-(5- (difluoromethyl)-1,3,4- oxadiazol-2-yl) cyclohexyl)amino)pyridin- 3-yl)-1,3,4-thiadiazol-2- yl)cy clohexyl)acetamide | US11046686, Example 2
Type:
Small organic molecule
Emp. Form.:
C32H32F2N10O2S
Mol. Mass.:
658.724
SMILES:
CC(=O)NC1CC[C@@H](CC1)c1nnc(s1)-c1cnc(cc1N[C@H]1CCC(CC1)c1nnc(o1)C(F)F)-c1ccc2cc(cnn12)C#N |r,wU:7.10,22.24,(-11.84,.28,;-10.3,.28,;-9.53,1.61,;-9.53,-1.06,;-7.99,-1.06,;-7.22,-2.39,;-5.68,-2.39,;-4.91,-1.06,;-5.68,.28,;-7.22,.28,;-3.37,-1.06,;-2.46,.19,;-1,-.29,;-1,-1.83,;-2.46,-2.3,;.33,-2.6,;.33,-4.14,;1.67,-4.91,;3,-4.14,;3,-2.6,;1.67,-1.83,;1.67,-.29,;3,.48,;3,2.02,;4.34,2.79,;5.67,2.02,;5.67,.48,;4.34,-.29,;7,2.79,;8.25,1.89,;9.49,2.79,;9.02,4.26,;7.48,4.26,;9.79,5.59,;9.02,6.92,;11.33,5.59,;4.34,-4.91,;4.34,-6.45,;5.8,-6.92,;6.71,-5.68,;8.24,-5.52,;8.86,-4.11,;7.96,-2.86,;6.43,-3.03,;5.8,-4.43,;10.35,-3.71,;11.84,-3.31,)|
Structure:
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