Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM407424
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:
BDBM407424
Synonyms:
6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N- ((1r,4S)-4-(dimethylamino) cyclohexyl)-4-(((1S,3R)-3- hydroxycyclohexyl)amino) nicotinamide | US10336762, Compound 366
Type:
Small organic molecule
Emp. Form.:
C28H35N7O2
Mol. Mass.:
501.6232
SMILES:
CN(C)[C@H]1CCC(CC1)NC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r,wU:3.2,wD:19.20,23.25,(-10.37,.93,;-9.03,1.7,;-9.03,3.24,;-7.7,.93,;-6.36,1.7,;-5.03,.93,;-5.03,-.61,;-6.36,-1.38,;-7.7,-.61,;-3.7,-1.38,;-2.36,-.61,;-2.36,.93,;-1.03,-1.38,;-1.03,-2.92,;.3,-3.69,;1.64,-2.92,;1.64,-1.38,;.3,-.61,;.3,.93,;1.64,1.7,;2.97,.93,;4.3,1.7,;4.3,3.24,;2.97,4.01,;2.97,5.55,;1.64,3.24,;2.97,-3.69,;3.13,-5.23,;4.64,-5.55,;5.41,-4.21,;6.91,-3.89,;7.39,-2.43,;6.36,-1.28,;4.85,-1.6,;4.38,-3.07,;8.88,-2.03,;10.37,-1.63,)|
Structure:
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