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Assay Detail

CHEMBL5587484

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Binding
Inhibition of full-length SARS CoV-2 MPro expressed in Escherichia coli BL21(DE3) using Boc-Abu-Tle-Leu-Gln-AMC as substrate incubated for 10 mins by fluorescence based assay
ChEMBL ↗
58
Total Activities
58
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Severe acute respiratory syndrome coronavirus 2
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Replicase polyprotein 1ab (CHEMBL4523582) ↗
Type SINGLE PROTEIN
Organism Severe acute respiratory syndrome coronavirus 2

Publication

Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.
Oneto A, Hamwi GA, Schäkel L, Krüger N, Sylvester K, Petry M, Shamleh RA, Pillaiyar T, Claff T, Schiedel AC, Sträter N, Gütschow M, Müller CE.
J Med Chem (2024) 67 : 14986 -15011
PubMed 39146284 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 58 7.02 8.29

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL222735 — — 1 8.29
CHEMBL5598257 — — 1 7.97
CHEMBL5596805 — — 1 7.83
CHEMBL5596651 — — 1 7.70
CHEMBL5596380 — — 1 7.59
CHEMBL5597224 — — 1 7.54
CHEMBL5596543 — — 1 7.52
CHEMBL5597247 — — 1 7.47
CHEMBL5205750 — — 1 7.47
CHEMBL5597101 — — 1 7.46
CHEMBL5597089 — — 1 7.45
CHEMBL5597654 — — 1 7.43
CHEMBL5597773 — — 1 7.42
CHEMBL5598483 — — 1 7.41
CHEMBL5598277 — — 1 7.39
CHEMBL375451 — — 1 7.39
CHEMBL4802135 NIRMATRELVIR 4.0 1 7.38
CHEMBL5596859 — — 1 7.34
CHEMBL5598524 — — 1 7.33
CHEMBL5590271 — — 1 7.33
CHEMBL5597157 — — 1 7.32
CHEMBL5596551 — — 1 7.30
CHEMBL451434 — — 1 7.26
CHEMBL443692 — — 1 7.22
CHEMBL5597502 — — 1 7.18
CHEMBL5597963 — — 1 7.15
CHEMBL5596420 — — 1 7.11
CHEMBL5597314 — — 1 7.07
CHEMBL5596141 — — 1 7.07
CHEMBL5598500 — — 1 7.04

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL222735 — IC50 = 5.13 nM 8.29
CHEMBL5598257 — IC50 = 10.7 nM 7.97
CHEMBL5596805 — IC50 = 14.9 nM 7.83
CHEMBL5596651 — IC50 = 19.9 nM 7.70
CHEMBL5596380 — IC50 = 25.9 nM 7.59
CHEMBL5597224 — IC50 = 29.2 nM 7.54
CHEMBL5596543 — IC50 = 30.3 nM 7.52
CHEMBL5597247 — IC50 = 33.5 nM 7.47
CHEMBL5205750 — IC50 = 34.2 nM 7.47
CHEMBL5597101 — IC50 = 34.9 nM 7.46
CHEMBL5597089 — IC50 = 35.6 nM 7.45
CHEMBL5597654 — IC50 = 37.5 nM 7.43
CHEMBL5597773 — IC50 = 38.3 nM 7.42
CHEMBL5598483 — IC50 = 39.2 nM 7.41
CHEMBL375451 — IC50 = 40.4 nM 7.39
CHEMBL5598277 — IC50 = 40.5 nM 7.39
CHEMBL4802135 NIRMATRELVIR IC50 = 41.2 nM 7.38
CHEMBL5596859 — IC50 = 45.7 nM 7.34
CHEMBL5598524 — IC50 = 46.4 nM 7.33
CHEMBL5590271 — IC50 = 47.0 nM 7.33
CHEMBL5597157 — IC50 = 47.4 nM 7.32
CHEMBL5596551 — IC50 = 50.5 nM 7.30
CHEMBL451434 — IC50 = 55.1 nM 7.26
CHEMBL443692 — IC50 = 60.4 nM 7.22
CHEMBL5597502 — IC50 = 65.9 nM 7.18
CHEMBL5597963 — IC50 = 70.7 nM 7.15
CHEMBL5596420 — IC50 = 78.2 nM 7.11
CHEMBL5597314 — IC50 = 84.5 nM 7.07
CHEMBL5596141 — IC50 = 84.5 nM 7.07
CHEMBL5598500 — IC50 = 91.2 nM 7.04
CHEMBL5591027 — IC50 = 96.3 nM 7.02
CHEMBL5597641 — IC50 = 95.7 nM 7.02
CHEMBL5596425 — IC50 = 96.4 nM 7.02
CHEMBL5598122 — IC50 = 108.0 nM 6.97
CHEMBL5596825 — IC50 = 107.0 nM 6.97
CHEMBL5598082 — IC50 = 117.0 nM 6.93
CHEMBL467960 — IC50 = 119.0 nM 6.92
CHEMBL5596806 — IC50 = 126.0 nM 6.90
CHEMBL5597390 — IC50 = 133.0 nM 6.88
CHEMBL5597838 — IC50 = 137.0 nM 6.86
CHEMBL511584 — IC50 = 150.0 nM 6.82
CHEMBL469163 — IC50 = 164.0 nM 6.79
CHEMBL252661 — IC50 = 218.0 nM 6.66
CHEMBL5596693 — IC50 = 232.0 nM 6.63
CHEMBL5597703 — IC50 = 247.0 nM 6.61
CHEMBL5596092 — IC50 = 249.0 nM 6.60
CHEMBL466336 — IC50 = 264.0 nM 6.58
CHEMBL490820 — IC50 = 313.0 nM 6.50
CHEMBL5598322 — IC50 = 322.0 nM 6.49
CHEMBL5596369 — IC50 = 329.0 nM 6.48