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Assay Detail

CHEMBL5374223

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Binding
Binding affinity to Enterovirus D68 US/KY/14-18953 2A protease expressed in Escherichia coli BL21(DE3) assessed as inhibition constant using Dabcyl-KIRIVNT/GPGEGGE-Edans as substrate incubated for 2 hrs by FRET assay
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism enterovirus D68
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Structure-Based Lead Optimization of Enterovirus D68 2A Protease Inhibitors.
Tan B, Liu C, Li K, Jadhav P, Lambrinidis G, Zhu L, Olson L, Tan H, Wen Y, Kolocouris A, Liu W, Wang J.
J Med Chem (2023) 66 : 14544 -14563
PubMed 37857371 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 5 6.82 7.29

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5435851 1 7.29
CHEMBL5397126 1 7.23
CHEMBL5399008 1 6.95
CHEMBL5424560 1 6.56
CHEMBL231813 TELAPREVIR 4.0 1 6.08

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5435851 Ki = 51.4 nM 7.29
CHEMBL5397126 Ki = 58.6 nM 7.23
CHEMBL5399008 Ki = 111.8 nM 6.95
CHEMBL5424560 Ki = 275.8 nM 6.56
CHEMBL231813 TELAPREVIR Ki = 823.9 nM 6.08