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Assay Detail

CHEMBL4183553

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

Binding
Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma by luciferase reporter gene assay
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Hepatitis C virus (isolate Con1)
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Genome polyprotein (CHEMBL5536)
Type SINGLE PROTEIN
Organism Hepatitis C virus genotype 1b (isolate Con1) (HCV)

Publication

Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530).
Wagner R, Randolph JT, Patel SV, Nelson L, Matulenko MA, Keddy R, Pratt JK, Liu D, Krueger AC, Donner PL, Hutchinson DK, Flentge C, Betebenner D, Rockway T, Maring CJ, Ng TI, Krishnan P, Pilot-Matias T, Collins C, Panchal N, Reisch T, Dekhtyar T, Mondal R, Stolarik DF, Gao Y, Gao W, Beno DA, Kati WM.
J Med Chem (2018) 61 : 4052 -4066
PubMed 29653491 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 25 9.58 10.25

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3127326 OMBITASVIR 4.0 1 10.25
CHEMBL3127327 1 10.05
CHEMBL4202479 1 9.97
CHEMBL4204257 1 9.90
CHEMBL4203712 1 9.88
CHEMBL4211486 1 9.87
CHEMBL4205352 1 9.86
CHEMBL4218872 1 9.76
CHEMBL4215254 1 9.75
CHEMBL4215923 1 9.74
CHEMBL3545123 PIBRENTASVIR 4.0 1 9.70
CHEMBL4211348 1 9.64
CHEMBL3915742 1 9.62
CHEMBL3960757 1 9.57
CHEMBL4203054 1 9.55
CHEMBL4215241 1 9.48
CHEMBL4210254 1 9.47
CHEMBL4215679 1 9.45
CHEMBL4203574 1 9.45
CHEMBL4208073 1 9.42
CHEMBL4203254 1 9.37
CHEMBL4215187 1 9.28
CHEMBL4202982 1 9.04
CHEMBL4208591 1 8.82
CHEMBL4206465 1 8.68

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3127326 OMBITASVIR EC50 = 0.056 nM 10.25
CHEMBL3127327 EC50 = 0.09 nM 10.05
CHEMBL4202479 EC50 = 0.108 nM 9.97
CHEMBL4204257 EC50 = 0.126 nM 9.90
CHEMBL4203712 EC50 = 0.132 nM 9.88
CHEMBL4211486 EC50 = 0.135 nM 9.87
CHEMBL4205352 EC50 = 0.138 nM 9.86
CHEMBL4218872 EC50 = 0.172 nM 9.76
CHEMBL4215254 EC50 = 0.178 nM 9.75
CHEMBL4215923 EC50 = 0.183 nM 9.74
CHEMBL3545123 PIBRENTASVIR EC50 = 0.2 nM 9.70
CHEMBL4211348 EC50 = 0.23 nM 9.64
CHEMBL3915742 EC50 = 0.241 nM 9.62
CHEMBL3960757 EC50 = 0.268 nM 9.57
CHEMBL4203054 EC50 = 0.279 nM 9.55
CHEMBL4215241 EC50 = 0.33 nM 9.48
CHEMBL4210254 EC50 = 0.337 nM 9.47
CHEMBL4215679 EC50 = 0.354 nM 9.45
CHEMBL4203574 EC50 = 0.354 nM 9.45
CHEMBL4208073 EC50 = 0.383 nM 9.42
CHEMBL4203254 EC50 = 0.427 nM 9.37
CHEMBL4215187 EC50 = 0.522 nM 9.28
CHEMBL4202982 EC50 = 0.915 nM 9.04
CHEMBL4208591 EC50 = 1.51 nM 8.82
CHEMBL4206465 EC50 = 2.07 nM 8.68