Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50547944
Substrate
n/a
Meas. Tech.
ChEMBL_2019402 (CHEMBL4672980)
IC50
797±n/a nM
Citation
 Gummadi, VR; Boruah, A; Ainan, BR; Vare, BR; Manda, S; Gondle, HP; Kumar, SN; Mukherjee, S; Gore, ST; Krishnamurthy, NR; Marappan, S; Nayak, SS; Nellore, K; Balasubramanian, WR; Bhumireddy, A; Giri, S; Gopinath, S; Samiulla, DS; Daginakatte, G; Basavaraju, A; Chelur, S; Eswarappa, R; Belliappa, C; Subramanya, HS; Booher, RN; Ramachandra, M; Samajdar, S Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. ACS Med Chem Lett 11:2374-2381 (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:
Human
Description:
Q9NWZ3
Residue:
460
Sequence:
MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
  
Inhibitor
Name:
BDBM50547944
Synonyms:
CHEMBL4788562
Type:
Small organic molecule
Emp. Form.:
C22H19N5O3
Mol. Mass.:
401.418
SMILES:
O=C(Nc1ccc2nc(oc2c1)N1CCOCC1)c1cccc(n1)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: