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Assay Detail

CHEMBL4015944

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in presence of ATP measured after 60 mins by DELFIA method
24
Total Activities
24
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Interleukin-1 receptor-associated kinase 4 (CHEMBL3778)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
Lee KL, Ambler CM, Anderson DR, Boscoe BP, Bree AG, Brodfuehrer JI, Chang JS, Choi C, Chung S, Curran KJ, Day JE, Dehnhardt CM, Dower K, Drozda SE, Frisbie RK, Gavrin LK, Goldberg JA, Han S, Hegen M, Hepworth D, Hope HR, Kamtekar S, Kilty IC, Lee A, Lin LL, Lovering FE, Lowe MD, Mathias JP, Morgan HM, Murphy EA, Papaioannou N, Patny A, Pierce BS, Rao VR, Saiah E, Samardjiev IJ, Samas BM, Shen MWH, Shin JH, Soutter HH, Strohbach JW, Symanowicz PT, Thomason JR, Trzupek JD, Vargas R, Vincent F, Yan J, Zapf CW, Wright SW.
J Med Chem (2017) 60 : 5521 -5542
PubMed 28498658 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 24 8.04 10.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4066705 1 10.00
CHEMBL4081711 ZIMLOVISERTIB 2.0 1 9.70
CHEMBL4093120 1 9.52
CHEMBL4091434 1 9.30
CHEMBL4085199 1 9.22
CHEMBL4103497 1 8.89
CHEMBL4083655 1 8.89
CHEMBL4071526 1 8.72
CHEMBL4084228 1 8.62
CHEMBL4070515 1 8.57
CHEMBL4061801 1 8.43
CHEMBL4092338 1 8.34
CHEMBL4075552 1 8.32
CHEMBL4061890 1 8.23
CHEMBL4100091 1 8.12
CHEMBL4079243 1 7.92
CHEMBL4073250 1 7.62
CHEMBL4076912 1 7.54
CHEMBL4086222 1 7.14
CHEMBL4089619 1 6.92
CHEMBL4061493 1 6.84
CHEMBL4064661 1 6.08
CHEMBL4104133 1 5.68
CHEMBL4093989 1 4.26

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4066705 IC50 = 0.1 nM 10.00
CHEMBL4081711 ZIMLOVISERTIB IC50 = 0.2 nM 9.70
CHEMBL4093120 IC50 = 0.3 nM 9.52
CHEMBL4091434 IC50 = 0.5 nM 9.30
CHEMBL4085199 IC50 = 0.6 nM 9.22
CHEMBL4103497 IC50 = 1.3 nM 8.89
CHEMBL4083655 IC50 = 1.3 nM 8.89
CHEMBL4071526 IC50 = 1.9 nM 8.72
CHEMBL4084228 IC50 = 2.4 nM 8.62
CHEMBL4070515 IC50 = 2.7 nM 8.57
CHEMBL4061801 IC50 = 3.7 nM 8.43
CHEMBL4092338 IC50 = 4.6 nM 8.34
CHEMBL4075552 IC50 = 4.8 nM 8.32
CHEMBL4061890 IC50 = 5.9 nM 8.23
CHEMBL4100091 IC50 = 7.6 nM 8.12
CHEMBL4079243 IC50 = 12.1 nM 7.92
CHEMBL4073250 IC50 = 23.9 nM 7.62
CHEMBL4076912 IC50 = 29.2 nM 7.54
CHEMBL4086222 IC50 = 71.9 nM 7.14
CHEMBL4089619 IC50 = 121.0 nM 6.92
CHEMBL4061493 IC50 = 146.0 nM 6.84
CHEMBL4064661 IC50 = 840.0 nM 6.08
CHEMBL4104133 IC50 = 2087.0 nM 5.68
CHEMBL4093989 IC50 = 55000.0 nM 4.26