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Assay Detail

CHEMBL3365309

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

Binding
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Schistosoma mansoni
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Thioredoxin glutathione reductase (CHEMBL6110)
Type SINGLE PROTEIN
Organism Schistosoma mansoni

Publication

New praziquantel derivatives containing NO-donor furoxans and related furazans as active agents against Schistosoma mansoni.
Guglielmo S, Cortese D, Vottero F, Rolando B, Kommer VP, Williams DL, Fruttero R, Gasco A.
Eur J Med Chem (2014) 84 : 135 -145
PubMed 25016371 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 14 6.46 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3322287 1 8.00
CHEMBL3322292 1 7.08
CHEMBL3322286 1 6.83
CHEMBL3322288 1 6.50
CHEMBL3322293 1 6.46
CHEMBL336467 FUROXAN 1 5.30
CHEMBL3322356 1 5.07
CHEMBL3322357 1 -
CHEMBL3322355 1 -
CHEMBL3322294 1 -
CHEMBL3322291 1 -
CHEMBL3322290 1 -
CHEMBL3322289 1 -
CHEMBL976 PRAZIQUANTEL 4.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3322287 IC50 = 10.0 nM 8.00
CHEMBL3322292 IC50 = 83.0 nM 7.08
CHEMBL3322286 IC50 = 148.0 nM 6.83
CHEMBL3322288 IC50 = 316.0 nM 6.50
CHEMBL3322293 IC50 = 350.0 nM 6.46
CHEMBL336467 FUROXAN IC50 = 5000.0 nM 5.30
CHEMBL3322356 IC50 = 8500.0 nM 5.07
CHEMBL3322357 IC50 > 50000.0 nM -
CHEMBL3322355 IC50 > 50000.0 nM -
CHEMBL3322294 IC50 > 50000.0 nM -
CHEMBL3322291 IC50 > 50000.0 nM -
CHEMBL3322290 IC50 > 50000.0 nM -
CHEMBL3322289 IC50 > 50000.0 nM -
CHEMBL976 PRAZIQUANTEL IC50 - -