Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM283875
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
7.20±n/a nM
Citation
 Bhide, RS; Duncia, JV; Hynes, J; Nair, SK; Pitts, WJ; Kumar, SR; Gardner, DS; Murugesan, N; Paidi, VR; Santella, JB; Sistla, R; Wu, H Heteroaryl substituted pyridyl compounds useful as kinase modulators US Patent  US9657009 Publication Date 5/23/2017 
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:
BDBM283875
Synonyms:
US10023562, Example 67 | US10544133, Example 67 | US9657009, 67
Type:
Small organic molecule
Emp. Form.:
C23H26ClN7O2
Mol. Mass.:
467.951
SMILES:
CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CC1 |r,wU:7.10,wD:4.3,(-9.19,4.62,;-8.1,3.53,;-6.61,3.93,;-8.5,2.04,;-7.41,.96,;-7.81,-.53,;-6.72,-1.62,;-5.23,-1.22,;-4.84,.27,;-5.92,1.35,;-4.15,-2.31,;-2.81,-1.54,;-2.81,-0,;-1.48,-2.31,;-1.48,-3.85,;-.14,-4.62,;1.19,-3.85,;2.52,-4.62,;3.86,-3.85,;5.19,-4.62,;6.52,-3.85,;6.52,-2.31,;5.19,-1.54,;3.86,-2.31,;2.52,-1.54,;7.86,-1.54,;9.19,-2.31,;1.19,-2.31,;-.14,-1.54,;-.14,-0,;1.19,.77,;2.73,.77,;1.96,2.1,)|
Structure:
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