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Assay Detail

CHEMBL3386561

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

Binding
Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis
14
Total Activities
14
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

Binding modes of reverse fosmidomycin analogs toward the antimalarial target IspC.
Konzuch S, Umeda T, Held J, Hähn S, Brücher K, Lienau C, Behrendt CT, Gräwert T, Bacher A, Illarionov B, Fischer M, Mordmüller B, Tanaka N, Kurz T.
J Med Chem (2014) 57 : 8827 -8838
PubMed 25254502 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 14 6.10 7.16

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3341763 1 7.16
CHEMBL3342259 1 6.85
CHEMBL2164257 FOSMIDOMYCIN SODIUM 1 6.66
CHEMBL2164256 1 6.54
CHEMBL3342260 1 6.50
CHEMBL3342262 1 6.35
CHEMBL3342258 1 6.16
CHEMBL3342261 1 5.82
CHEMBL3342264 1 5.37
CHEMBL3342265 1 4.96
CHEMBL3342263 1 4.77
CHEMBL3342266 1 -
CHEMBL3342267 1 -
CHEMBL3342268 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3341763 IC50 = 70.0 nM 7.16
CHEMBL3342259 IC50 = 140.0 nM 6.85
CHEMBL2164257 FOSMIDOMYCIN SODIUM IC50 = 220.0 nM 6.66
CHEMBL2164256 IC50 = 290.0 nM 6.54
CHEMBL3342260 IC50 = 320.0 nM 6.50
CHEMBL3342262 IC50 = 450.0 nM 6.35
CHEMBL3342258 IC50 = 700.0 nM 6.16
CHEMBL3342261 IC50 = 1500.0 nM 5.82
CHEMBL3342264 IC50 = 4300.0 nM 5.37
CHEMBL3342265 IC50 = 11000.0 nM 4.96
CHEMBL3342263 IC50 = 17000.0 nM 4.77
CHEMBL3342266 IC50 = 741000.0 nM -
CHEMBL3342267 IC50 > 500000.0 nM -
CHEMBL3342268 IC50 > 500000.0 nM -