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Assay Detail

CHEMBL3705251

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

Binding
Inhibition Assay: Briefly, 2-10 nM of purified NS3 protease domains were pre-incubated at 37° C. for 10 minutes with 20 μM isogenic NS4A peptide cofactors (Sigma, St. Louis, Mo.), in 40% glycerol buffer with 50 mM HEPES pH 7.5 and 10 mM DTT. Compounds were diluted serially 1:3 in DMSO, incubated with the enzyme/cofactor mixture for 10 minutes and reactions were started by the addition of 2 μM RET S1 substrate (final concentration). Fluorescence increase was measured continuously over one hour using a Victor3 V fluorescence plate reader (Perkin Elmer, Waltham, Mass.).
66
Total Activities
66
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Hepatitis C virus
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Genome polyprotein (CHEMBL4620)
Type SINGLE PROTEIN
Organism Hepatitis C virus genotype 1a (isolate 1) (HCV)

Publication

Antiviral compounds
(2013)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 66 7.32 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3644933 1 8.70
CHEMBL3644934 1 8.70
CHEMBL3644908 1 8.70
CHEMBL3644896 1 8.70
CHEMBL3644888 1 8.70
CHEMBL3644893 1 8.70
CHEMBL3644924 1 8.52
CHEMBL3644898 1 8.52
CHEMBL3644895 1 8.40
CHEMBL3644884 1 8.40
CHEMBL3644932 1 8.30
CHEMBL3644912 1 8.30
CHEMBL3644881 1 8.30
CHEMBL3644897 1 8.22
CHEMBL3644894 1 8.22
CHEMBL3644905 1 8.05
CHEMBL3644907 1 8.05
CHEMBL3644906 1 8.00
CHEMBL3644882 1 7.96
CHEMBL3644909 1 7.92
CHEMBL3644911 1 7.92
CHEMBL3644879 1 7.89
CHEMBL3644904 1 7.89
CHEMBL3644899 1 7.85
CHEMBL3644883 1 7.85
CHEMBL3644891 1 7.80
CHEMBL3644910 1 7.80
CHEMBL3644902 1 7.72
CHEMBL3644935 1 7.70
CHEMBL3644878 1 7.68

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3644933 IC50 = 2.0 nM 8.70
CHEMBL3644893 IC50 = 2.0 nM 8.70
CHEMBL3644888 IC50 = 2.0 nM 8.70
CHEMBL3644896 IC50 = 2.0 nM 8.70
CHEMBL3644934 IC50 = 2.0 nM 8.70
CHEMBL3644908 IC50 = 2.0 nM 8.70
CHEMBL3644924 IC50 = 3.0 nM 8.52
CHEMBL3644898 IC50 = 3.0 nM 8.52
CHEMBL3644895 IC50 = 4.0 nM 8.40
CHEMBL3644884 IC50 = 4.0 nM 8.40
CHEMBL3644932 IC50 = 5.0 nM 8.30
CHEMBL3644912 IC50 = 5.0 nM 8.30
CHEMBL3644881 IC50 = 5.0 nM 8.30
CHEMBL3644897 IC50 = 6.0 nM 8.22
CHEMBL3644894 IC50 = 6.0 nM 8.22
CHEMBL3644905 IC50 = 9.0 nM 8.05
CHEMBL3644907 IC50 = 9.0 nM 8.05
CHEMBL3644906 IC50 = 10.0 nM 8.00
CHEMBL3644882 IC50 = 11.0 nM 7.96
CHEMBL3644909 IC50 = 12.0 nM 7.92
CHEMBL3644911 IC50 = 12.0 nM 7.92
CHEMBL3644879 IC50 = 13.0 nM 7.89
CHEMBL3644904 IC50 = 13.0 nM 7.89
CHEMBL3644899 IC50 = 14.0 nM 7.85
CHEMBL3644883 IC50 = 14.0 nM 7.85
CHEMBL3644891 IC50 = 16.0 nM 7.80
CHEMBL3644910 IC50 = 16.0 nM 7.80
CHEMBL3644902 IC50 = 19.0 nM 7.72
CHEMBL3644935 IC50 = 20.0 nM 7.70
CHEMBL3644878 IC50 = 21.0 nM 7.68
CHEMBL3644913 IC50 = 21.0 nM 7.68
CHEMBL3644885 IC50 = 22.0 nM 7.66
CHEMBL3644892 IC50 = 28.0 nM 7.55
CHEMBL3644922 IC50 = 28.0 nM 7.55
CHEMBL3644889 IC50 = 32.0 nM 7.50
CHEMBL3644914 IC50 = 34.0 nM 7.47
CHEMBL3644915 IC50 = 39.0 nM 7.41
CHEMBL3644918 IC50 = 40.0 nM 7.40
CHEMBL3644903 IC50 = 41.0 nM 7.39
CHEMBL3644917 IC50 = 45.0 nM 7.35
CHEMBL3644877 IC50 = 57.0 nM 7.24
CHEMBL3644901 IC50 = 61.0 nM 7.21
CHEMBL3644920 IC50 = 66.0 nM 7.18
CHEMBL3644890 IC50 = 68.0 nM 7.17
CHEMBL3644916 IC50 = 82.0 nM 7.09
CHEMBL3644921 IC50 = 110.0 nM 6.96
CHEMBL3644887 IC50 = 160.0 nM 6.80
CHEMBL3644886 IC50 = 170.0 nM 6.77
CHEMBL3644875 IC50 = 195.0 nM 6.71
CHEMBL3644880 IC50 = 403.0 nM 6.39