Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM507707
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:
BDBM507707
Synonyms:
N-((1r,4r)-4-(5-(6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazol-2-yl)cyclohexyl)acetamide (Example 24) | US11046686, Example 24 | US11702414, Example 24
Type:
Small organic molecule
Emp. Form.:
C26H28N8OS
Mol. Mass.:
500.619
SMILES:
CC(C)Nc1cc(ncc1-c1nnc(s1)[C@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:15.16,wD:18.23,(2.39,-7.95,;2.39,-9.49,;3.73,-10.26,;1.06,-10.26,;1.06,-11.8,;2.39,-12.57,;2.39,-14.11,;1.06,-14.88,;-.27,-14.11,;-.27,-12.57,;-1.61,-11.8,;-1.77,-10.27,;-3.27,-9.95,;-4.04,-11.28,;-3.01,-12.43,;-5.53,-11.68,;-5.93,-13.17,;-7.42,-13.57,;-8.51,-12.48,;-8.11,-10.99,;-6.62,-10.59,;-9.99,-12.88,;-11.08,-11.79,;-10.68,-10.3,;-12.57,-12.19,;3.73,-14.88,;3.89,-16.41,;5.39,-16.73,;6.17,-15.4,;7.67,-15.08,;8.15,-13.61,;7.12,-12.47,;5.61,-12.79,;5.13,-14.25,;9.65,-13.29,;11.16,-12.97,)|
Structure:
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