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Assay Detail

CHEMBL2065352

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

Binding
Inhibition of Hepatitis C virus (isolate NZL1) genotype 3a NS3/4a protease expressed in Escherichia coli by time-resolved fluorescence analysis
ChEMBL ↗
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Hepatitis C virus (isolate NZL1)
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Discovery of MK-5172, a Macrocyclic Hepatitis C Virus NS3/4a Protease Inhibitor.
Harper S, McCauley JA, Rudd MT, Ferrara M, DiFilippo M, Crescenzi B, Koch U, Petrocchi A, Holloway MK, Butcher JW, Romano JJ, Bush KJ, Gilbert KF, McIntyre CJ, Nguyen KT, Nizi E, Carroll SS, Ludmerer SW, Burlein C, DiMuzio JM, Graham DJ, McHale CM, Stahlhut MW, Olsen DB, Monteagudo E, Cianetti S, Giuliano C, Pucci V, Trainor N, Fandozzi CM, Rowley M, Coleman PJ, Vacca JP, Summa V, Liverton NJ.
ACS Med Chem Lett (2012) 3 : 332 -336
PubMed 24900473 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 15 7.79 9.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2063089 — — 1 9.51
CHEMBL2063088 — — 1 9.41
CHEMBL2063090 GRAZOPREVIR ANHYDROUS 4.0 1 9.15
CHEMBL2063087 — — 1 8.72
CHEMBL2063085 — — 1 8.55
CHEMBL2063086 — — 1 8.40
CHEMBL2063081 — — 1 7.92
CHEMBL2063084 — — 1 7.58
CHEMBL2063080 — — 1 7.35
CHEMBL4525964 VANIPREVIR 3.0 1 7.27
CHEMBL1672609 — — 1 7.16
CHEMBL2063082 — — 1 6.89
CHEMBL2063079 — — 1 6.70
CHEMBL2063083 — — 1 6.28
CHEMBL2063077 — — 1 5.92

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2063089 — Ki = 0.31 nM 9.51
CHEMBL2063088 — Ki = 0.39 nM 9.41
CHEMBL2063090 GRAZOPREVIR ANHYDROUS Ki = 0.7 nM 9.15
CHEMBL2063087 — Ki = 1.9 nM 8.72
CHEMBL2063085 — Ki = 2.8 nM 8.55
CHEMBL2063086 — Ki = 4.0 nM 8.40
CHEMBL2063081 — Ki = 12.0 nM 7.92
CHEMBL2063084 — Ki = 26.0 nM 7.58
CHEMBL2063080 — Ki = 45.0 nM 7.35
CHEMBL4525964 VANIPREVIR Ki = 54.0 nM 7.27
CHEMBL1672609 — Ki = 70.0 nM 7.16
CHEMBL2063082 — Ki = 130.0 nM 6.89
CHEMBL2063079 — Ki = 200.0 nM 6.70
CHEMBL2063083 — Ki = 520.0 nM 6.28
CHEMBL2063077 — Ki = 1200.0 nM 5.92