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Assay Detail

CHEMBL5350895

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

Binding
Inhibition of human ACE2 (18 to 740 residues) using Mca-APK(Dnp) as substrate incubated for 15 mins followed by substrate addition by fluorescence based analysis
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Angiotensin-converting enzyme 2 (CHEMBL3736)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-Guided Chemical Optimization of Bicyclic Peptide (<i>Bicycle</i>) Inhibitors of Angiotensin-Converting Enzyme 2.
Harman MAJ, Stanway SJ, Scott H, Demydchuk Y, Bezerra GA, Pellegrino S, Chen L, Brear P, Lulla A, Hyvönen M, Beswick PJ, Skynner MJ.
J Med Chem (2023) 66 : 9881 -9893
PubMed 37433017 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 25 7.93 9.31

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5430631 1 9.31
CHEMBL5406655 1 9.19
CHEMBL5394399 1 9.19
CHEMBL5424883 1 9.11
CHEMBL5395954 1 8.70
CHEMBL5403774 1 8.59
CHEMBL5429094 1 8.57
CHEMBL5415414 1 8.49
CHEMBL5424641 1 8.48
CHEMBL5429562 1 8.35
CHEMBL5396932 1 8.31
CHEMBL5433480 1 8.15
CHEMBL5434946 1 8.00
CHEMBL5400018 1 7.96
CHEMBL5397691 1 7.92
CHEMBL5420290 1 7.89
CHEMBL5437403 1 7.77
CHEMBL5429801 1 7.41
CHEMBL5415513 1 7.33
CHEMBL5400083 1 7.21
CHEMBL5402703 1 7.01
CHEMBL5410380 1 6.92
CHEMBL5434641 1 5.62
CHEMBL5420202 1 4.92
CHEMBL5407252 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5430631 IC50 = 0.49 nM 9.31
CHEMBL5406655 IC50 = 0.65 nM 9.19
CHEMBL5394399 IC50 = 0.64 nM 9.19
CHEMBL5424883 IC50 = 0.78 nM 9.11
CHEMBL5395954 IC50 = 2.0 nM 8.70
CHEMBL5403774 IC50 = 2.6 nM 8.59
CHEMBL5429094 IC50 = 2.7 nM 8.57
CHEMBL5415414 IC50 = 3.2 nM 8.49
CHEMBL5424641 IC50 = 3.3 nM 8.48
CHEMBL5429562 IC50 = 4.5 nM 8.35
CHEMBL5396932 IC50 = 4.9 nM 8.31
CHEMBL5433480 IC50 = 7.0 nM 8.15
CHEMBL5434946 IC50 = 10.0 nM 8.00
CHEMBL5400018 IC50 = 11.0 nM 7.96
CHEMBL5397691 IC50 = 12.0 nM 7.92
CHEMBL5420290 IC50 = 13.0 nM 7.89
CHEMBL5437403 IC50 = 17.0 nM 7.77
CHEMBL5429801 IC50 = 39.0 nM 7.41
CHEMBL5415513 IC50 = 47.0 nM 7.33
CHEMBL5400083 IC50 = 61.0 nM 7.21
CHEMBL5402703 IC50 = 98.0 nM 7.01
CHEMBL5410380 IC50 = 120.0 nM 6.92
CHEMBL5434641 IC50 = 2400.0 nM 5.62
CHEMBL5420202 IC50 = 12000.0 nM 4.92
CHEMBL5407252 IC50 > 40000.0 nM -