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Assay Detail

CHEMBL2318922

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

Binding
Inhibition of SARS coronavirus 3C-like protease R188I mutant using H-TSAVLQSGFRK-NH2 as substrate after 60 mins by HPLC analysis
29
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Severe acute respiratory syndrome-related coronavirus
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Design and synthesis of new tripeptide-type SARS-CoV 3CL protease inhibitors containing an electrophilic arylketone moiety.
Konno S, Thanigaimalai P, Yamamoto T, Nakada K, Kakiuchi R, Takayama K, Yamazaki Y, Yakushiji F, Akaji K, Kiso Y, Kawasaki Y, Chen SE, Freire E, Hayashi Y.
Bioorg Med Chem (2013) 21 : 412 -424
PubMed 23245752 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 29 5.37 6.19

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2316752 1 6.19
CHEMBL2316750 1 6.12
CHEMBL2316748 1 6.04
CHEMBL2316751 1 5.92
CHEMBL2316460 1 5.82
CHEMBL2316746 1 5.77
CHEMBL2316754 1 5.77
CHEMBL2316749 1 5.72
CHEMBL2316747 1 5.64
CHEMBL2316459 1 5.54
CHEMBL2316755 1 5.47
CHEMBL2316744 1 5.17
CHEMBL2316461 1 5.12
CHEMBL539209 1 5.02
CHEMBL2316742 1 4.89
CHEMBL2316745 1 4.66
CHEMBL2316743 1 4.62
CHEMBL2316756 1 4.44
CHEMBL2316464 1 4.07
CHEMBL2316753 1 -
CHEMBL2316462 1 -
CHEMBL2316463 1 -
CHEMBL2316445 1 -
CHEMBL2316446 1 -
CHEMBL2316447 1 -
CHEMBL2316448 1 -
CHEMBL2316741 1 -
CHEMBL2316465 1 -
CHEMBL2316449 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2316752 IC50 = 650.0 nM 6.19
CHEMBL2316750 IC50 = 750.0 nM 6.12
CHEMBL2316748 IC50 = 920.0 nM 6.04
CHEMBL2316751 IC50 = 1200.0 nM 5.92
CHEMBL2316460 IC50 = 1500.0 nM 5.82
CHEMBL2316746 IC50 = 1700.0 nM 5.77
CHEMBL2316754 IC50 = 1700.0 nM 5.77
CHEMBL2316749 IC50 = 1900.0 nM 5.72
CHEMBL2316747 IC50 = 2300.0 nM 5.64
CHEMBL2316459 IC50 = 2900.0 nM 5.54
CHEMBL2316755 IC50 = 3400.0 nM 5.47
CHEMBL2316744 IC50 = 6800.0 nM 5.17
CHEMBL2316461 IC50 = 7500.0 nM 5.12
CHEMBL539209 IC50 = 9500.0 nM 5.02
CHEMBL2316742 IC50 = 13000.0 nM 4.89
CHEMBL2316745 IC50 = 22000.0 nM 4.66
CHEMBL2316743 IC50 = 24000.0 nM 4.62
CHEMBL2316756 IC50 = 36000.0 nM 4.44
CHEMBL2316464 IC50 = 85000.0 nM 4.07
CHEMBL2316753 IC50 - -
CHEMBL2316462 IC50 > 1600000.0 nM -
CHEMBL2316463 IC50 - -
CHEMBL2316445 IC50 - -
CHEMBL2316446 IC50 > 1600000.0 nM -
CHEMBL2316447 IC50 = 260000.0 nM -
CHEMBL2316448 IC50 = 210000.0 nM -
CHEMBL2316741 IC50 = 280000.0 nM -
CHEMBL2316465 IC50 = 250000.0 nM -
CHEMBL2316449 IC50 > 1600000.0 nM -