Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM187584
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.2±n/a
IC50
1.4±n/a nM
Citation
 Santella, JB; Kumar, SR; Duncia, JV; Gardner, DS; Paidi, VR; Nair, SK; Hynes, J; Wu, H; Murugesan, N; Sarkunam, K; Arunachalam, P Heteroaryl substituted nicotinamide compounds US Patent  US9169252 Publication Date 10/27/2015 
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:
BDBM187584
Synonyms:
US9169252, 148
Type:
Small organic molecule
Emp. Form.:
C25H31N7O2
Mol. Mass.:
461.5593
SMILES:
CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.87,2.16,;1.54,2.93,;1.54,4.47,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.8,2.16,;-6.46,2.93,;-5.13,2.16,;-9.13,2.93,;-9.13,4.47,;-10.46,2.16,;-10.46,3.7,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
Structure:
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