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Assay Detail

CHEMBL5325515

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

Binding
Binding affinity to VIM-4 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition constant by measuring rate of substrate hydrolysis by UV-Vis spectrophotometric analysis
33
Total Activities
33
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

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 33 5.80 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4798128 1 7.40
CHEMBL5422147 1 6.40
CHEMBL5401341 1 6.37
CHEMBL5399604 1 6.27
CHEMBL4754134 1 6.22
CHEMBL5425633 1 6.17
CHEMBL5413869 1 6.10
CHEMBL5432082 1 6.09
CHEMBL5399621 1 6.07
CHEMBL5401163 1 6.05
CHEMBL5433574 1 6.05
CHEMBL5397732 1 5.96
CHEMBL5412062 1 5.82
CHEMBL1452412 1 5.82
CHEMBL5437278 1 5.80
CHEMBL5414177 1 5.75
CHEMBL5415017 1 5.72
CHEMBL5395243 1 5.68
CHEMBL5396611 1 5.68
CHEMBL5402541 1 5.64
CHEMBL5421071 1 5.62
CHEMBL5419605 1 5.60
CHEMBL5410303 1 5.60
CHEMBL5404243 1 5.50
CHEMBL5414834 1 5.39
CHEMBL5431803 1 5.11
CHEMBL5431286 1 5.09
CHEMBL4757595 1 5.05
CHEMBL5409951 1 4.22
CHEMBL5436669 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4798128 Ki = 40.0 nM 7.40
CHEMBL5422147 Ki = 400.0 nM 6.40
CHEMBL5401341 Ki = 430.0 nM 6.37
CHEMBL5399604 Ki = 540.0 nM 6.27
CHEMBL4754134 Ki = 600.0 nM 6.22
CHEMBL5425633 Ki = 680.0 nM 6.17
CHEMBL5413869 Ki = 800.0 nM 6.10
CHEMBL5432082 Ki = 820.0 nM 6.09
CHEMBL5399621 Ki = 850.0 nM 6.07
CHEMBL5401163 Ki = 900.0 nM 6.05
CHEMBL5433574 Ki = 900.0 nM 6.05
CHEMBL5397732 Ki = 1100.0 nM 5.96
CHEMBL5412062 Ki = 1500.0 nM 5.82
CHEMBL1452412 Ki = 1500.0 nM 5.82
CHEMBL5437278 Ki = 1600.0 nM 5.80
CHEMBL5414177 Ki = 1800.0 nM 5.75
CHEMBL5415017 Ki = 1900.0 nM 5.72
CHEMBL5395243 Ki = 2100.0 nM 5.68
CHEMBL5396611 Ki = 2100.0 nM 5.68
CHEMBL5402541 Ki = 2300.0 nM 5.64
CHEMBL5421071 Ki = 2400.0 nM 5.62
CHEMBL5419605 Ki = 2500.0 nM 5.60
CHEMBL5410303 Ki = 2500.0 nM 5.60
CHEMBL5404243 Ki = 3200.0 nM 5.50
CHEMBL5414834 Ki = 4100.0 nM 5.39
CHEMBL5431803 Ki = 7800.0 nM 5.11
CHEMBL5431286 Ki = 8200.0 nM 5.09
CHEMBL4757595 Ki = 9000.0 nM 5.05
CHEMBL5409951 Ki = 60000.0 nM 4.22
CHEMBL5436669 Ki - -
CHEMBL5404284 Ki - -
CHEMBL5406560 Ki - -
CHEMBL5415745 Ki - -