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Assay Detail

CHEMBL5367752

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

Binding
Inhibition of TRKA G595R mutant (unknown origin) expressed in baculovirus expression system Sf9 cells using Ser/Thr 06 as peptide substrate incubated for 1 hr in presence of ATP by FRET based Z-LYTE assay
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Sf9
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

High affinity nerve growth factor receptor (CHEMBL2815)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
Wang Z, Wang J, Wang Y, Xiang S, Zhou H, Song S, Song X, Tu Z, Zhou Y, Ding K, Zhang ZM, Zhang Z, Lu X.
J Med Chem (2023) 66 : 12950 -12965
PubMed 37676745 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 7.32 8.31

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4298138 REPOTRECTINIB 4.0 1 8.31
CHEMBL5423601 1 8.17
CHEMBL4297627 SELITRECTINIB 2.0 1 8.12
CHEMBL5410884 1 7.97
CHEMBL5432219 1 7.51
CHEMBL5416521 1 7.41
CHEMBL5421829 1 7.26
CHEMBL5422091 1 7.20
CHEMBL5439833 1 7.07
CHEMBL5422195 1 7.04
CHEMBL5415833 1 6.96
CHEMBL5394378 1 6.91
CHEMBL5195469 1 6.31
CHEMBL5408929 1 6.25
CHEMBL5404881 1 -
CHEMBL5420615 1 -
CHEMBL5410147 1 -
CHEMBL5396972 1 -
CHEMBL5405759 1 -
CHEMBL5429379 1 -
CHEMBL5438621 1 -
CHEMBL5433110 1 -
CHEMBL5394049 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4298138 REPOTRECTINIB IC50 = 4.86 nM 8.31
CHEMBL5423601 IC50 = 6.77 nM 8.17
CHEMBL4297627 SELITRECTINIB IC50 = 7.5 nM 8.12
CHEMBL5410884 IC50 = 10.69 nM 7.97
CHEMBL5432219 IC50 = 30.62 nM 7.51
CHEMBL5416521 IC50 = 39.02 nM 7.41
CHEMBL5421829 IC50 = 54.77 nM 7.26
CHEMBL5422091 IC50 = 63.35 nM 7.20
CHEMBL5439833 IC50 = 85.15 nM 7.07
CHEMBL5422195 IC50 = 91.75 nM 7.04
CHEMBL5415833 IC50 = 108.8 nM 6.96
CHEMBL5394378 IC50 = 123.5 nM 6.91
CHEMBL5195469 IC50 = 493.7 nM 6.31
CHEMBL5408929 IC50 = 561.7 nM 6.25
CHEMBL5404881 IC50 > 1000.0 nM -
CHEMBL5420615 IC50 > 1000.0 nM -
CHEMBL5410147 IC50 > 1000.0 nM -
CHEMBL5396972 IC50 > 1000.0 nM -
CHEMBL5405759 IC50 > 1000.0 nM -
CHEMBL5429379 IC50 > 1000.0 nM -
CHEMBL5438621 IC50 > 1000.0 nM -
CHEMBL5433110 IC50 > 1000.0 nM -
CHEMBL5394049 IC50 > 1000.0 nM -