Ki Summary

Reaction Details

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Target

Interleukin-1 receptor-associated kinase 4

Ligand

BDBM50246761

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1676839 (CHEMBL4026982)

IC50

2.0±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

BDBM50246761

n/a

Name

BDBM50246761

Synonyms:

CHEMBL4102501

Type

Small organic molecule

Emp. Form.

C25H36N6O2

Mol. Mass.

452.5923

SMILES

[H][C@@]12CC(=O)N(C)[C@]1([H])CCN(C2)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:16.21,1.0,7.8,wD:13.14,(14.1,-14.84,;15.43,-15.62,;15.76,-14.11,;17.29,-13.95,;18.06,-12.62,;17.91,-15.36,;19.41,-15.68,;16.76,-16.39,;18.09,-17.15,;16.75,-17.93,;15.42,-18.69,;14.1,-17.92,;14.09,-16.38,;12.76,-18.68,;11.43,-17.91,;10.09,-18.68,;10.1,-20.22,;11.43,-20.99,;12.75,-20.22,;8.76,-20.99,;8.77,-22.53,;10.1,-23.29,;10.11,-24.84,;8.77,-25.61,;7.44,-24.84,;5.97,-25.33,;5.05,-24.09,;5.95,-22.83,;5.47,-21.37,;6.48,-20.21,;6,-18.76,;4.5,-18.44,;3.47,-19.59,;3.95,-21.06,;7.43,-23.3,)|

Structure