Reaction Details  Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM210300
Substrate
n/a
Meas. Tech.
ChEMBL_1991895 (CHEMBL4625630)
IC50
3.4±n/a nM
Citation
 Nair, S; Kumar, SR; Paidi, VR; Sistla, R; Kantheti, D; Polimera, SR; Thangavel, S; Mukherjee, AJ; Das, M; Bhide, RS; Pitts, WJ; Murugesan, N; Dudhgoankar, S; Nagar, J; Subramani, S; Mazumder, D; Carman, JA; Holloway, DA; Li, X; Fereshteh, MP; Ruepp, S; Palanisamy, K; Mariappan, TT; Maddi, S; Saxena, A; Elzinga, P; Chimalakonda, A; Ruan, Q; Ghosh, K; Bose, S; Sack, J; Yan, C; Kiefer, SE; Xie, D; Newitt, JA; Saravanakumar, SP; Rampulla, RA; Barrish, JC; Carter, PH; Hynes, J Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis. ACS Med Chem Lett 11:1402-1409 (2020) [PubMed]  Article
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:
BDBM210300
Synonyms:
US9546153, ex. 367
Type:
Small organic molecule
Emp. Form.:
C20H25F2N7O2
Mol. Mass.:
433.455
SMILES:
CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
Structure:
Search PDB for entries with ligand similarity: