Ki Summary

Reaction Details

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Target

Interleukin-1 receptor-associated kinase 4

Ligand

BDBM50246764

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1676839 (CHEMBL4026982)

IC50

4.0±n/a nM

Citation

Scott, JS; Degorce, SL; Anjum, R; Culshaw, J; Davies, RDM; Davies, NL; Dillman, KS; Dowling, JE; Drew, L; Ferguson, AD; Groombridge, SD; Halsall, CT; Hudson, JA; Lamont, S; Lindsay, NA; Marden, SK; Mayo, MF; Pease, JE; Perkins, DR; Pink, JH; Robb, GR; Rosen, A; Shen, M; McWhirter, C; Wu, D Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88 J Med Chem60:10071-10091 (2017) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Interleukin-1 receptor-associated kinase 4

Name:

Interleukin-1 receptor-associated kinase 4

Synonyms:

Type:

Protein

Mol. Mass.:

51519.08

Organism:

Homo sapiens (Human)

Description:

Q9NWZ3

Residue:

460

Sequence:

MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALL
QTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITV
QQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNF
DERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKC
QHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGIN
FLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEAL
RGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMND
ADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS

BDBM50246764

n/a

Name

BDBM50246764

Synonyms:

CHEMBL4087063

Type

Small organic molecule

Emp. Form.

C21H30N4O2S

Mol. Mass.

402.554

SMILES

C1CC(CCO1)c1c[nH]c2ncnc(S[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(11.36,-19.45,;11.84,-20.9,;10.82,-22.06,;9.31,-21.75,;8.83,-20.28,;9.85,-19.13,;11.31,-23.52,;10.41,-24.78,;11.32,-26.02,;12.79,-25.53,;14.12,-26.3,;15.46,-25.53,;15.45,-23.98,;14.12,-23.22,;14.12,-21.68,;15.45,-20.91,;15.44,-19.37,;16.78,-18.6,;18.11,-19.38,;18.1,-20.91,;16.78,-21.68,;19.45,-18.61,;20.77,-19.39,;22.1,-18.63,;22.11,-17.08,;20.78,-16.31,;19.44,-17.07,;12.78,-23.99,)|

Structure