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Assay Detail

CHEMBL5325513

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

Binding
Binding affinity to VIM-1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition constant by measuring rate of substrate hydrolysis by UV-Vis spectrophotometric analysis
38
Total Activities
38
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Beta-lactamase VIM-1 (CHEMBL5465387)
Type SINGLE PROTEIN
Organism Bacteria

Publication

1,2,4-Triazole-3-thione analogues with an arylakyl group at position 4 as metallo-β-lactamase inhibitors.
Gavara L, Verdirosa F, Sevaille L, Legru A, Corsica G, Nauton L, Sandra Mercuri P, Sannio F, De Luca F, Hadjadj M, Cerboni G, Vo Hoang Y, Licznar-Fajardo P, Galleni M, Docquier JD, Hernandez JF.
Bioorg Med Chem (2022) 72 : 116964 -116964
PubMed 36030663 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 38 5.66 6.39

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5432082 1 6.39
CHEMBL5433574 1 6.25
CHEMBL5414177 1 6.23
CHEMBL5413869 1 6.16
CHEMBL1452412 1 6.14
CHEMBL5399621 1 6.12
CHEMBL5431803 1 6.12
CHEMBL5401341 1 5.92
CHEMBL5401163 1 5.92
CHEMBL5425633 1 5.89
CHEMBL5422147 1 5.85
CHEMBL5415017 1 5.80
CHEMBL5412062 1 5.72
CHEMBL5402541 1 5.68
CHEMBL5419605 1 5.66
CHEMBL5410303 1 5.66
CHEMBL5414194 1 5.51
CHEMBL2153287 1 5.50
CHEMBL5396611 1 5.50
CHEMBL5421071 1 5.48
CHEMBL5404243 1 5.48
CHEMBL5397732 1 5.44
CHEMBL5438562 1 5.43
CHEMBL5414834 1 5.29
CHEMBL5431286 1 5.20
CHEMBL5399604 1 4.96
CHEMBL5407126 1 4.64
CHEMBL5409951 1 4.57
CHEMBL5404284 1 -
CHEMBL5438176 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5432082 Ki = 410.0 nM 6.39
CHEMBL5433574 Ki = 560.0 nM 6.25
CHEMBL5414177 Ki = 590.0 nM 6.23
CHEMBL5413869 Ki = 700.0 nM 6.16
CHEMBL1452412 Ki = 720.0 nM 6.14
CHEMBL5399621 Ki = 760.0 nM 6.12
CHEMBL5431803 Ki = 750.0 nM 6.12
CHEMBL5401341 Ki = 1200.0 nM 5.92
CHEMBL5401163 Ki = 1200.0 nM 5.92
CHEMBL5425633 Ki = 1300.0 nM 5.89
CHEMBL5422147 Ki = 1400.0 nM 5.85
CHEMBL5415017 Ki = 1600.0 nM 5.80
CHEMBL5412062 Ki = 1900.0 nM 5.72
CHEMBL5402541 Ki = 2100.0 nM 5.68
CHEMBL5410303 Ki = 2200.0 nM 5.66
CHEMBL5419605 Ki = 2200.0 nM 5.66
CHEMBL5414194 Ki = 3100.0 nM 5.51
CHEMBL2153287 Ki = 3200.0 nM 5.50
CHEMBL5396611 Ki = 3200.0 nM 5.50
CHEMBL5421071 Ki = 3300.0 nM 5.48
CHEMBL5404243 Ki = 3300.0 nM 5.48
CHEMBL5397732 Ki = 3600.0 nM 5.44
CHEMBL5438562 Ki = 3700.0 nM 5.43
CHEMBL5414834 Ki = 5100.0 nM 5.29
CHEMBL5431286 Ki = 6300.0 nM 5.20
CHEMBL5399604 Ki = 11100.0 nM 4.96
CHEMBL5407126 Ki = 23000.0 nM 4.64
CHEMBL5409951 Ki = 27000.0 nM 4.57
CHEMBL5406560 Ki - -
CHEMBL5407957 Ki - -
CHEMBL5436669 Ki - -
CHEMBL5417692 Ki - -
CHEMBL5437278 Ki - -
CHEMBL1352550 Ki - -
CHEMBL5397771 Ki - -
CHEMBL5415745 Ki - -
CHEMBL5438176 Ki - -
CHEMBL5404284 Ki - -