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Assay Detail

CHEMBL885944

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

Binding
Inhibition of Trypanosoma brucei rhodesiense trypanothione reductase
34
Total Activities
31
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Trypanosoma brucei rhodesiense
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Discovery of 2-iminobenzimidazoles as a new class of trypanothione reductase inhibitor by high-throughput screening.
Holloway GA, Baell JB, Fairlamb AH, Novello PM, Parisot JP, Richardson J, Watson KG, Street IP.
Bioorg Med Chem Lett (2007) 17 : 1422 -1427
PubMed 17194585 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 31 4.97 5.40
Ki 3 5.48 5.72

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL247178 2 5.72
CHEMBL246979 2 5.44
CHEMBL247772 1 5.40
CHEMBL1185172 1 5.30
CHEMBL247379 1 5.30
CHEMBL395209 2 5.27
CHEMBL245550 1 5.16
CHEMBL246381 1 5.16
CHEMBL246579 1 5.10
CHEMBL396068 1 5.10
CHEMBL394283 1 5.05
CHEMBL247576 1 5.05
CHEMBL248185 1 5.00
CHEMBL248184 1 4.80
CHEMBL248381 1 4.72
CHEMBL395210 1 4.62
CHEMBL246164 1 4.60
CHEMBL395161 1 4.54
CHEMBL246163 1 4.46
CHEMBL394098 1 4.23
CHEMBL397851 1 -
CHEMBL247575 1 -
CHEMBL245353 1 -
CHEMBL246379 1 -
CHEMBL392851 1 -
CHEMBL246380 1 -
CHEMBL246580 1 -
CHEMBL245352 1 -
CHEMBL246353 1 -
CHEMBL247577 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL247178 Ki = 1900.0 nM 5.72
CHEMBL246979 Ki = 3600.0 nM 5.44
CHEMBL247178 IC50 = 4000.0 nM 5.40
CHEMBL246979 IC50 = 4000.0 nM 5.40
CHEMBL247772 IC50 = 4000.0 nM 5.40
CHEMBL1185172 IC50 = 5000.0 nM 5.30
CHEMBL247379 IC50 = 5000.0 nM 5.30
CHEMBL395209 Ki = 5400.0 nM 5.27
CHEMBL245550 IC50 = 7000.0 nM 5.16
CHEMBL246381 IC50 = 7000.0 nM 5.16
CHEMBL246579 IC50 = 8000.0 nM 5.10
CHEMBL396068 IC50 = 8000.0 nM 5.10
CHEMBL247576 IC50 = 9000.0 nM 5.05
CHEMBL394283 IC50 = 9000.0 nM 5.05
CHEMBL395209 IC50 = 10000.0 nM 5.00
CHEMBL248185 IC50 = 10000.0 nM 5.00
CHEMBL248184 IC50 = 16000.0 nM 4.80
CHEMBL248381 IC50 = 19000.0 nM 4.72
CHEMBL395210 IC50 = 24000.0 nM 4.62
CHEMBL246164 IC50 = 25000.0 nM 4.60
CHEMBL395161 IC50 = 29000.0 nM 4.54
CHEMBL246163 IC50 = 35000.0 nM 4.46
CHEMBL394098 IC50 = 59000.0 nM 4.23
CHEMBL245353 IC50 > 100000.0 nM -
CHEMBL246353 IC50 > 100000.0 nM -
CHEMBL397851 IC50 > 100000.0 nM -
CHEMBL246379 IC50 > 100000.0 nM -
CHEMBL392851 IC50 > 100000.0 nM -
CHEMBL246380 IC50 > 100000.0 nM -
CHEMBL246580 IC50 > 100000.0 nM -
CHEMBL246352 IC50 > 100000.0 nM -
CHEMBL245352 IC50 > 100000.0 nM -
CHEMBL247575 IC50 > 100000.0 nM -
CHEMBL247577 IC50 > 100000.0 nM -