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Assay Detail

CHEMBL4136449

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

Binding
Inhibition of recombinant human N-terminal GST-tagged ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
10
Total Activities
10
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

Proto-oncogene tyrosine-protein kinase ROS (CHEMBL5568)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of novel 2,4-diarylaminopyrimidine analogues as ALK and ROS1 dual inhibitors to overcome crizotinib-resistant mutants including G1202R.
Wang Y, Chen S, Hu G, Wang J, Gou W, Zuo D, Gu Y, Gong P, Zhai X.
Eur J Med Chem (2018) 143 : 123 -136
PubMed 29174809 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 8.25 8.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4174347 1 8.96
CHEMBL2403108 CERITINIB 4.0 1 8.70
CHEMBL4166436 1 8.52
CHEMBL4168473 1 8.34
CHEMBL601719 CRIZOTINIB 4.0 1 8.17
CHEMBL4166038 1 8.10
CHEMBL4159161 1 8.07
CHEMBL4167072 1 8.01
CHEMBL4160581 1 7.87
CHEMBL4163707 1 7.71

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4174347 IC50 = 1.1 nM 8.96
CHEMBL2403108 CERITINIB IC50 = 2.0 nM 8.70
CHEMBL4166436 IC50 = 3.0 nM 8.52
CHEMBL4168473 IC50 = 4.6 nM 8.34
CHEMBL601719 CRIZOTINIB IC50 = 6.7 nM 8.17
CHEMBL4166038 IC50 = 8.0 nM 8.10
CHEMBL4159161 IC50 = 8.5 nM 8.07
CHEMBL4167072 IC50 = 9.8 nM 8.01
CHEMBL4160581 IC50 = 13.4 nM 7.87
CHEMBL4163707 IC50 = 19.3 nM 7.71