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Assay Detail

CHEMBL2215774

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

Binding
Inhibition of HCV subtype 1a NS3/4A protease (Ac-DE-Dap(QXL520)-EE-Abu-psi-[COO]-ASC(5-FAMsp)-NH2 as substrate by FRET analysis
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Hepatitis C virus subtype 1a
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Synthesis and antiviral activity of novel HCV NS3 protease inhibitors with P4 capping groups.
Li X, Liu Y, Zhang YK, Plattner JJ, Baker SJ, Bu W, Liu L, Zhou Y, Ding CZ, Zhang S, Kazmierski WM, Hamatake R, Duan M, Wright LL, Smith GK, Jarvest RL, Ji JJ, Cooper JP, Tallant MD, Crosby RM, Creech K, Wang A.
Bioorg Med Chem Lett (2012) 22 : 7351 -7356
PubMed 23142614 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 8.55 9.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2208397 1 9.30
CHEMBL2208398 1 9.22
CHEMBL258734 DANOPREVIR 3.0 1 9.15
CHEMBL2208368 1 9.10
CHEMBL2208373 1 9.00
CHEMBL2208369 1 9.00
CHEMBL2208396 1 8.89
CHEMBL2208372 1 8.89
CHEMBL2208399 1 8.80
CHEMBL2208400 1 8.70
CHEMBL2208364 1 8.60
CHEMBL2208366 1 8.60
CHEMBL2208370 1 8.40
CHEMBL2208365 1 8.40
CHEMBL2208374 1 8.20
CHEMBL2208371 1 8.20
CHEMBL501849 SIMEPREVIR 4.0 1 8.00
CHEMBL2208367 1 7.70
CHEMBL231813 TELAPREVIR 4.0 1 6.30

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2208397 IC50 = 0.5 nM 9.30
CHEMBL2208398 IC50 = 0.6 nM 9.22
CHEMBL258734 DANOPREVIR IC50 = 0.7 nM 9.15
CHEMBL2208368 IC50 = 0.8 nM 9.10
CHEMBL2208373 IC50 = 1.0 nM 9.00
CHEMBL2208369 IC50 = 1.0 nM 9.00
CHEMBL2208396 IC50 = 1.3 nM 8.89
CHEMBL2208372 IC50 = 1.3 nM 8.89
CHEMBL2208399 IC50 = 1.6 nM 8.80
CHEMBL2208400 IC50 = 2.0 nM 8.70
CHEMBL2208364 IC50 = 2.5 nM 8.60
CHEMBL2208366 IC50 = 2.5 nM 8.60
CHEMBL2208370 IC50 = 4.0 nM 8.40
CHEMBL2208365 IC50 = 4.0 nM 8.40
CHEMBL2208374 IC50 = 6.3 nM 8.20
CHEMBL2208371 IC50 = 6.3 nM 8.20
CHEMBL501849 SIMEPREVIR IC50 = 10.0 nM 8.00
CHEMBL2208367 IC50 = 20.0 nM 7.70
CHEMBL231813 TELAPREVIR IC50 = 500.0 nM 6.30