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Assay Detail

CHEMBL3376290

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

Binding
Inhibition of His-tagged Escherichia coli DXR pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH in absence of 0.01% Triton X100
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

1-deoxy-D-xylulose 5-phosphate reductoisomerase (CHEMBL4091)
Type SINGLE PROTEIN
Organism Escherichia coli K-12

Publication

Catechol-rhodanine derivatives: Specific and promiscuous inhibitors of Escherichia coli deoxyxylulose phosphate reductoisomerase (DXR).
Zinglé C, Tritsch D, Grosdemange-Billiard C, Rohmer M.
Bioorg Med Chem (2014) 22 : 3713 -3719
PubMed 24890653 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 5.56 7.50

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL203125 FOSMIDOMYCIN 3.0 1 7.50
CHEMBL2316879 1 5.51
CHEMBL3309759 1 5.50
CHEMBL3309761 1 5.48
CHEMBL3309760 1 5.44
CHEMBL3309763 1 5.42
CHEMBL3309758 1 5.39
CHEMBL3309762 1 4.24

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL203125 FOSMIDOMYCIN IC50 = 32.0 nM 7.50
CHEMBL2316879 IC50 = 3100.0 nM 5.51
CHEMBL3309759 IC50 = 3200.0 nM 5.50
CHEMBL3309761 IC50 = 3300.0 nM 5.48
CHEMBL3309760 IC50 = 3600.0 nM 5.44
CHEMBL3309763 IC50 = 3800.0 nM 5.42
CHEMBL3309758 IC50 = 4100.0 nM 5.39
CHEMBL3309762 IC50 = 58000.0 nM 4.24