Ki Summary

Reaction Details

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Target

Interleukin-1 receptor-associated kinase 4

Ligand

BDBM50246762

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

BDBM50246762

n/a

Name

BDBM50246762

Synonyms:

CHEMBL4078222

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,wD:13.14,1.0,7.8,(12.7,-12.69,;14.04,-13.46,;14.36,-11.96,;15.89,-11.8,;16.66,-10.47,;16.52,-13.21,;18.02,-13.53,;15.37,-14.23,;16.7,-15,;15.36,-15.78,;14.03,-16.54,;12.7,-15.76,;12.7,-14.22,;11.37,-16.53,;10.03,-15.76,;8.7,-16.52,;8.7,-18.06,;10.03,-18.83,;11.36,-18.07,;7.37,-18.84,;7.37,-20.37,;8.71,-21.14,;8.71,-22.69,;7.38,-23.46,;6.04,-22.69,;4.57,-23.17,;3.66,-21.93,;4.56,-20.67,;4.07,-19.21,;5.09,-18.06,;4.61,-16.6,;3.11,-16.29,;2.08,-17.44,;2.56,-18.9,;6.04,-21.14,)|

Structure