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Assay Detail

CHEMBL3606236

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

Binding
Inhibition of Tylonycteris bat coronavirus HKU4 N-terminal His6-tagged 3CLpro expressed in Escherichia coli BL21 (DE3) using UIVT3 as substrate preincubated for 10 mins followed by substrate addition measured for 20 mins by fluorescence assay
ChEMBL ↗
451
Total Activities
225
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Tylonycteris bat coronavirus HKU4
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4--The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
St John SE, Tomar S, Stauffer SR, Mesecar AD.
Bioorg Med Chem (2015) 23 : 6036 -6048
PubMed 26190463 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 226 5.32 6.48
Imax 225 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3605584 — — 2 6.48
CHEMBL2442060 — — 2 6.39
CHEMBL2442063 — — 2 5.92
CHEMBL2442062 — — 2 5.92
CHEMBL2311729 — — 2 5.89
CHEMBL2442054 — — 2 5.82
CHEMBL3605594 — — 2 5.82
CHEMBL2442066 — — 2 5.80
CHEMBL2442055 — — 2 5.77
CHEMBL2442079 — — 2 5.75
CHEMBL2442081 — — 2 5.72
CHEMBL2442053 — — 2 5.70
CHEMBL3605585 — — 2 5.66
CHEMBL3605595 — — 2 5.66
CHEMBL3605596 — — 2 5.66
CHEMBL2442056 — — 2 5.62
CHEMBL2442074 — — 2 5.57
CHEMBL2442061 — — 2 5.55
CHEMBL2442067 — — 2 5.51
CHEMBL3605586 — — 2 5.51
CHEMBL3605597 — — 2 5.47
CHEMBL3605587 — — 2 5.43
CHEMBL3605598 — — 2 5.41
CHEMBL2442071 — — 2 5.38
CHEMBL2442059 — — 2 5.32
CHEMBL2442058 — — 2 5.28
CHEMBL3605599 — — 2 5.16
CHEMBL3605600 — — 2 5.16
CHEMBL2311700 — — 2 5.07
CHEMBL2442065 — — 2 5.06

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3605584 — IC50 = 330.0 nM 6.48
CHEMBL2442060 — IC50 = 410.0 nM 6.39
CHEMBL2442062 — IC50 = 1200.0 nM 5.92
CHEMBL2442063 — IC50 = 1200.0 nM 5.92
CHEMBL2311729 — IC50 = 1300.0 nM 5.89
CHEMBL2442054 — IC50 = 1500.0 nM 5.82
CHEMBL3605594 — IC50 = 1500.0 nM 5.82
CHEMBL2442066 — IC50 = 1600.0 nM 5.80
CHEMBL2442055 — IC50 = 1700.0 nM 5.77
CHEMBL2442079 — IC50 = 1800.0 nM 5.75
CHEMBL2442081 — IC50 = 1900.0 nM 5.72
CHEMBL2442053 — IC50 = 2000.0 nM 5.70
CHEMBL3605596 — IC50 = 2200.0 nM 5.66
CHEMBL3605595 — IC50 = 2200.0 nM 5.66
CHEMBL3605585 — IC50 = 2200.0 nM 5.66
CHEMBL2442056 — IC50 = 2400.0 nM 5.62
CHEMBL2442074 — IC50 = 2700.0 nM 5.57
CHEMBL2442061 — IC50 = 2800.0 nM 5.55
CHEMBL2442067 — IC50 = 3100.0 nM 5.51
CHEMBL3605586 — IC50 = 3100.0 nM 5.51
CHEMBL3605597 — IC50 = 3400.0 nM 5.47
CHEMBL3605587 — IC50 = 3700.0 nM 5.43
CHEMBL3605598 — IC50 = 3900.0 nM 5.41
CHEMBL2442071 — IC50 = 4200.0 nM 5.38
CHEMBL2442059 — IC50 = 4800.0 nM 5.32
CHEMBL2442058 — IC50 = 5300.0 nM 5.28
CHEMBL3605600 — IC50 = 7000.0 nM 5.16
CHEMBL3605599 — IC50 = 6900.0 nM 5.16
CHEMBL2311700 — IC50 = 8600.0 nM 5.07
CHEMBL2442065 — IC50 = 8800.0 nM 5.06
CHEMBL3605601 — IC50 = 9300.0 nM 5.03
CHEMBL2311694 — IC50 = 9500.0 nM 5.02
CHEMBL3605602 — IC50 = 11100.0 nM 4.96
CHEMBL2442069 — IC50 = 14700.0 nM 4.83
CHEMBL3605603 — IC50 = 15400.0 nM 4.81
CHEMBL3605588 — IC50 = 16000.0 nM 4.80
CHEMBL2442076 — IC50 = 17200.0 nM 4.76
CHEMBL3605604 — IC50 = 18300.0 nM 4.74
CHEMBL3605605 — IC50 = 18700.0 nM 4.73
CHEMBL2440138 — IC50 = 22000.0 nM 4.66
CHEMBL2311739 — IC50 = 35600.0 nM 4.45
CHEMBL3605606 — IC50 = 52300.0 nM 4.28
CHEMBL3605607 — IC50 = 55600.0 nM 4.25
CHEMBL3605590 — IC50 = 68000.0 nM 4.17
CHEMBL3605650 — Imax - — -
CHEMBL3605653 — Imax - — -
CHEMBL3605652 — Imax - — -
CHEMBL3603859 — Imax - — -
CHEMBL3605649 — Imax - — -
CHEMBL3605651 — Imax - — -