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Assay Detail

CHEMBL940414

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

Binding
Inhibition of full length HCV NS3/4A protease
19
Total Activities
19
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

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

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors.
Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D, Classon B, Ayesa S, Ivanov V, Johansson PO, Kahnberg P, Eneroth A, Wikstrom K, Vrang L, Edlund M, Lindström S, Van de Vreken W, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Van Dooren M, Kindermans N, Surleraux D, Wigerinck P, Rosenquist A, Samuelsson B, Simmen K, Raboisson P.
Bioorg Med Chem Lett (2008) 18 : 6189 -6193
PubMed 18954982 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 16 9.36 10.30
IC50 3 7.39 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL505440 1 10.30
CHEMBL489267 1 10.00
CHEMBL444708 1 10.00
CHEMBL506378 1 10.00
CHEMBL501670 1 9.70
CHEMBL506515 1 9.70
CHEMBL470606 1 9.62
CHEMBL443727 1 9.52
CHEMBL449844 1 9.46
CHEMBL452420 1 9.40
CHEMBL498839 1 9.35
CHEMBL500009 1 9.30
CHEMBL510496 1 8.82
CHEMBL503785 1 8.62
CHEMBL1163007 1 8.00
CHEMBL443512 1 8.00
CHEMBL295844 1 7.96
CHEMBL501893 1 7.92
CHEMBL409025 1 6.22

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL505440 Ki = 0.05 nM 10.30
CHEMBL489267 Ki = 0.1 nM 10.00
CHEMBL444708 Ki = 0.1 nM 10.00
CHEMBL506378 Ki = 0.1 nM 10.00
CHEMBL501670 Ki = 0.2 nM 9.70
CHEMBL506515 Ki = 0.2 nM 9.70
CHEMBL470606 Ki = 0.24 nM 9.62
CHEMBL443727 Ki = 0.3 nM 9.52
CHEMBL449844 Ki = 0.35 nM 9.46
CHEMBL452420 Ki = 0.4 nM 9.40
CHEMBL498839 Ki = 0.45 nM 9.35
CHEMBL500009 Ki = 0.5 nM 9.30
CHEMBL510496 Ki = 1.5 nM 8.82
CHEMBL503785 Ki = 2.4 nM 8.62
CHEMBL1163007 IC50 = 10.0 nM 8.00
CHEMBL443512 Ki = 10.0 nM 8.00
CHEMBL295844 IC50 = 11.0 nM 7.96
CHEMBL501893 Ki = 12.0 nM 7.92
CHEMBL409025 IC50 = 600.0 nM 6.22