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Assay Detail

CHEMBL4183552

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

Binding
Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 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 H77)
Confidence 8 — Homologous single protein target
Curated By Intermediate

Target

Nonstructural protein 5A (CHEMBL3307224)
Type SINGLE PROTEIN
Organism Hepatitis C virus

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 9.70 10.37

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4205352 1 10.37
CHEMBL4211486 1 10.24
CHEMBL3545123 PIBRENTASVIR 4.0 1 10.19
CHEMBL4218872 1 10.15
CHEMBL4215923 1 10.12
CHEMBL4202479 1 10.12
CHEMBL4204257 1 10.11
CHEMBL4215254 1 9.97
CHEMBL4210254 1 9.87
CHEMBL3960757 1 9.83
CHEMBL3915742 1 9.82
CHEMBL4203054 1 9.81
CHEMBL4203574 1 9.79
CHEMBL3127326 OMBITASVIR 4.0 1 9.73
CHEMBL4208073 1 9.70
CHEMBL4203712 1 9.67
CHEMBL4215187 1 9.66
CHEMBL4215241 1 9.62
CHEMBL4211348 1 9.56
CHEMBL4202982 1 9.32
CHEMBL4203254 1 9.31
CHEMBL4206465 1 9.04
CHEMBL3127327 1 9.01
CHEMBL4208591 1 8.82
CHEMBL4215679 1 8.70

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4205352 EC50 = 0.043 nM 10.37
CHEMBL4211486 EC50 = 0.058 nM 10.24
CHEMBL3545123 PIBRENTASVIR EC50 = 0.064 nM 10.19
CHEMBL4218872 EC50 = 0.07 nM 10.15
CHEMBL4215923 EC50 = 0.076 nM 10.12
CHEMBL4202479 EC50 = 0.075 nM 10.12
CHEMBL4204257 EC50 = 0.078 nM 10.11
CHEMBL4215254 EC50 = 0.107 nM 9.97
CHEMBL4210254 EC50 = 0.136 nM 9.87
CHEMBL3960757 EC50 = 0.148 nM 9.83
CHEMBL3915742 EC50 = 0.151 nM 9.82
CHEMBL4203054 EC50 = 0.155 nM 9.81
CHEMBL4203574 EC50 = 0.161 nM 9.79
CHEMBL3127326 OMBITASVIR EC50 = 0.186 nM 9.73
CHEMBL4208073 EC50 = 0.199 nM 9.70
CHEMBL4203712 EC50 = 0.213 nM 9.67
CHEMBL4215187 EC50 = 0.22 nM 9.66
CHEMBL4215241 EC50 = 0.24 nM 9.62
CHEMBL4211348 EC50 = 0.276 nM 9.56
CHEMBL4202982 EC50 = 0.474 nM 9.32
CHEMBL4203254 EC50 = 0.49 nM 9.31
CHEMBL4206465 EC50 = 0.902 nM 9.04
CHEMBL3127327 EC50 = 0.986 nM 9.01
CHEMBL4208591 EC50 = 1.51 nM 8.82
CHEMBL4215679 EC50 = 1.98 nM 8.70