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Assay Detail

CHEMBL4830307

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

Binding
Inhibition of HCV NS3/4a protease D168A mutant using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate addition
ChEMBL ↗
52
Total Activities
52
Compounds Tested
1
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 Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants.
Nageswara Rao D, Zephyr J, Henes M, Chan ET, Matthew AN, Hedger AK, Conway HL, Saeed M, Newton A, Petropoulos CJ, Huang W, Kurt Yilmaz N, Schiffer CA, Ali A.
J Med Chem (2021) 64 : 11972 -11989
PubMed 34405680 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 52 7.63 8.64

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4848452 — — 1 8.64
CHEMBL4873674 — — 1 8.33
CHEMBL4852970 — — 1 8.30
CHEMBL4873577 — — 1 8.15
CHEMBL4849669 — — 1 8.10
CHEMBL4847539 — — 1 8.10
CHEMBL4876441 — — 1 8.00
CHEMBL4856675 — — 1 7.96
CHEMBL4872547 — — 1 7.92
CHEMBL4860811 — — 1 7.92
CHEMBL4861087 — — 1 7.89
CHEMBL4863541 — — 1 7.89
CHEMBL4875510 — — 1 7.82
CHEMBL4854781 — — 1 7.82
CHEMBL4859365 — — 1 7.80
CHEMBL4847677 — — 1 7.80
CHEMBL4851215 — — 1 7.80
CHEMBL4852637 — — 1 7.77
CHEMBL4848226 — — 1 7.72
CHEMBL4868136 — — 1 7.72
CHEMBL4878695 — — 1 7.70
CHEMBL4854266 — — 1 7.68
CHEMBL4860570 — — 1 7.68
CHEMBL4866052 — — 1 7.66
CHEMBL4846475 — — 1 7.66
CHEMBL4875061 — — 1 7.66
CHEMBL4852548 — — 1 7.62
CHEMBL4876997 — — 1 7.62
CHEMBL4854503 — — 1 7.58
CHEMBL4850597 — — 1 7.58

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4848452 — Ki = 2.3 nM 8.64
CHEMBL4873674 — Ki = 4.7 nM 8.33
CHEMBL4852970 — Ki = 5.0 nM 8.30
CHEMBL4873577 — Ki = 7.1 nM 8.15
CHEMBL4849669 — Ki = 8.0 nM 8.10
CHEMBL4847539 — Ki = 8.0 nM 8.10
CHEMBL4876441 — Ki = 10.0 nM 8.00
CHEMBL4856675 — Ki = 11.0 nM 7.96
CHEMBL4872547 — Ki = 12.0 nM 7.92
CHEMBL4860811 — Ki = 12.0 nM 7.92
CHEMBL4861087 — Ki = 13.0 nM 7.89
CHEMBL4863541 — Ki = 13.0 nM 7.89
CHEMBL4854781 — Ki = 15.0 nM 7.82
CHEMBL4875510 — Ki = 15.0 nM 7.82
CHEMBL4851215 — Ki = 16.0 nM 7.80
CHEMBL4859365 — Ki = 16.0 nM 7.80
CHEMBL4847677 — Ki = 16.0 nM 7.80
CHEMBL4852637 — Ki = 17.0 nM 7.77
CHEMBL4848226 — Ki = 19.0 nM 7.72
CHEMBL4868136 — Ki = 19.0 nM 7.72
CHEMBL4878695 — Ki = 20.0 nM 7.70
CHEMBL4854266 — Ki = 21.0 nM 7.68
CHEMBL4860570 — Ki = 21.0 nM 7.68
CHEMBL4875061 — Ki = 22.0 nM 7.66
CHEMBL4866052 — Ki = 22.0 nM 7.66
CHEMBL4846475 — Ki = 22.0 nM 7.66
CHEMBL4852548 — Ki = 24.0 nM 7.62
CHEMBL4876997 — Ki = 24.0 nM 7.62
CHEMBL4854503 — Ki = 26.0 nM 7.58
CHEMBL4850597 — Ki = 26.0 nM 7.58
CHEMBL4859750 — Ki = 26.0 nM 7.58
CHEMBL4848772 — Ki = 27.0 nM 7.57
CHEMBL4850903 — Ki = 28.0 nM 7.55
CHEMBL4852913 — Ki = 30.0 nM 7.52
CHEMBL4871600 — Ki = 32.0 nM 7.50
CHEMBL4863232 — Ki = 36.0 nM 7.44
CHEMBL4873756 — Ki = 39.0 nM 7.41
CHEMBL4864092 — Ki = 40.0 nM 7.40
CHEMBL4871632 — Ki = 40.0 nM 7.40
CHEMBL4853352 — Ki = 41.0 nM 7.39
CHEMBL4875419 — Ki = 43.0 nM 7.37
CHEMBL4864394 — Ki = 45.0 nM 7.35
CHEMBL4863621 — Ki = 46.0 nM 7.34
CHEMBL2063090 GRAZOPREVIR ANHYDROUS Ki = 49.0 nM 7.31
CHEMBL4870588 — Ki = 52.0 nM 7.28
CHEMBL4879085 — Ki = 52.0 nM 7.28
CHEMBL4849834 — Ki = 54.0 nM 7.27
CHEMBL4876702 — Ki = 68.0 nM 7.17
CHEMBL3545363 GLECAPREVIR Ki = 90.0 nM 7.05
CHEMBL4863145 — Ki = 110.0 nM 6.96