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Assay Detail

CHEMBL5230804

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

Binding
Inhibition of metallo-beta-lactamase IMP-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as substrate hydrolysis using imipenem as substrate by spectrometric analysis
6
Total Activities
6
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Structure-based design of covalent inhibitors targeting metallo-β-lactamases.
Chen C, Yang KW.
Eur J Med Chem (2020) 203 : 112573 -112573
PubMed 32707526 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 6 5.99 6.28

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL333177 1 6.28
CHEMBL5290744 1 6.24
CHEMBL121516 BIS(PIPERIDINYLTHIOCARBONYL)DISULFIDE 1 6.06
CHEMBL583959 BIS(PYRROLIDINYLTHIOCARBONYL)DISULFIDE 1 6.02
CHEMBL120082 BIS(DIBENZYLAMINETHIOCARBONYL)DISULFIDE 1 5.77
CHEMBL964 DISULFIRAM 4.0 1 5.54

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL333177 IC50 = 530.0 nM 6.28
CHEMBL5290744 IC50 = 570.0 nM 6.24
CHEMBL121516 BIS(PIPERIDINYLTHIOCARBONYL)DISULFIDE IC50 = 880.0 nM 6.06
CHEMBL583959 BIS(PYRROLIDINYLTHIOCARBONYL)DISULFIDE IC50 = 950.0 nM 6.02
CHEMBL120082 BIS(DIBENZYLAMINETHIOCARBONYL)DISULFIDE IC50 = 1700.0 nM 5.77
CHEMBL964 DISULFIRAM IC50 = 2900.0 nM 5.54