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Assay Detail

CHEMBL5325516

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

Binding
Binding affinity to NDM1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition constant by measuring rate of substrate hydrolysis by UV-Vis spectrophotometric analysis
13
Total Activities
13
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

Metallo-beta-lactamase type 2 (CHEMBL5465386)
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 13 4.87 5.38

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4798128 1 5.38
CHEMBL4757595 1 5.19
CHEMBL5412062 1 5.17
CHEMBL5410303 1 5.02
CHEMBL5402541 1 4.92
CHEMBL5432082 1 4.84
CHEMBL5409951 1 4.82
CHEMBL5414194 1 4.81
CHEMBL5425633 1 4.76
CHEMBL5413869 1 4.65
CHEMBL5431286 1 4.55
CHEMBL5414834 1 4.38
CHEMBL4754134 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4798128 Ki = 4200.0 nM 5.38
CHEMBL4757595 Ki = 6400.0 nM 5.19
CHEMBL5412062 Ki = 6800.0 nM 5.17
CHEMBL5410303 Ki = 9500.0 nM 5.02
CHEMBL5402541 Ki = 12000.0 nM 4.92
CHEMBL5432082 Ki = 14300.0 nM 4.84
CHEMBL5409951 Ki = 15200.0 nM 4.82
CHEMBL5414194 Ki = 15400.0 nM 4.81
CHEMBL5425633 Ki = 17400.0 nM 4.76
CHEMBL5413869 Ki = 22400.0 nM 4.65
CHEMBL5431286 Ki = 28000.0 nM 4.55
CHEMBL5414834 Ki = 42000.0 nM 4.38
CHEMBL4754134 Ki - -