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Assay Detail

CHEMBL3706337

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

Binding
Inhibition Assay: A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Example 5, except that the ATP concentration in the mixed solution of ATP and substrate peptide (Caliper) was 50 uM. Test Example 5: A partial protein of only a kinase domain of RET protein was purchased from Carna Biosciences Inc., Japan. The phosphorylation activity toward a peptide substrate was investigated using an EZ reader (Caliper). Test compounds were each mixed with a protein solution to give 8 final concentrations from 100 nM to 0.03 nM, followed by addition of a mixed liquid of ATP and substrate peptide (Caliper) and reaction for 30 minutes. The ATP concentration used was 100 µM. A reaction liquid which contained protein but no test compound (in which the solvent DMSO alone was added at 0.8% in place of the test compound) was prepared, followed by reaction in the same manner with or without ATP addition.
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

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

Publication

Diamino heterocyclic carboxamide compound
(2015)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 9.15 9.64

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3687195 1 9.64
CHEMBL3687223 1 9.54
CHEMBL3687210 1 9.43
CHEMBL3687191 1 9.40
CHEMBL3687224 1 9.39
CHEMBL3687205 1 9.29
CHEMBL3687221 1 9.29
CHEMBL3687222 1 9.24
CHEMBL3687202 1 9.19
CHEMBL3687212 1 9.11
CHEMBL3687194 1 9.07
CHEMBL3687207 1 9.07
CHEMBL3687200 1 9.00
CHEMBL3687225 1 8.92
CHEMBL3687215 1 8.89
CHEMBL3687217 1 8.80
CHEMBL3301622 GILTERITINIB 4.0 1 8.72
CHEMBL3687220 1 8.72

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3687195 IC50 = 0.23 nM 9.64
CHEMBL3687223 IC50 = 0.29 nM 9.54
CHEMBL3687210 IC50 = 0.37 nM 9.43
CHEMBL3687191 IC50 = 0.4 nM 9.40
CHEMBL3687224 IC50 = 0.41 nM 9.39
CHEMBL3687205 IC50 = 0.51 nM 9.29
CHEMBL3687221 IC50 = 0.51 nM 9.29
CHEMBL3687222 IC50 = 0.58 nM 9.24
CHEMBL3687202 IC50 = 0.65 nM 9.19
CHEMBL3687212 IC50 = 0.78 nM 9.11
CHEMBL3687194 IC50 = 0.86 nM 9.07
CHEMBL3687207 IC50 = 0.86 nM 9.07
CHEMBL3687200 IC50 = 1.0 nM 9.00
CHEMBL3687225 IC50 = 1.2 nM 8.92
CHEMBL3687215 IC50 = 1.3 nM 8.89
CHEMBL3687217 IC50 = 1.6 nM 8.80
CHEMBL3301622 GILTERITINIB IC50 = 1.9 nM 8.72
CHEMBL3687220 IC50 = 1.9 nM 8.72