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Assay Detail

CHEMBL4202305

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

Binding
Inhibition of recombinant Trypanosoma brucei brucei alternative oxidase using ubiquinol-1 as substrate incubated for 2 mins followed by substrate addition by spectrophotometric method
35
Total Activities
35
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Trypanosoma brucei brucei
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Alternative oxidase, mitochondrial (CHEMBL4295594)
Type SINGLE PROTEIN
Organism Trypanosoma brucei brucei

Publication

SAR of 4-Alkoxybenzoic Acid Inhibitors of the Trypanosome Alternative Oxidase.
Meco-Navas A, Ebiloma GU, Martín-Domínguez A, Martínez-Benayas I, Cueto-Díaz EJ, Alhejely AS, Balogun EO, Saito M, Matsui M, Arai N, Shiba T, Harada S, de Koning HP, Dardonville C.
ACS Med Chem Lett (2018) 9 : 923 -928
PubMed 30258542 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 35 6.77 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL133046 ASCOFURANONE 1 8.70
CHEMBL4216944 1 8.51
CHEMBL4213740 1 8.38
CHEMBL4203629 1 8.04
CHEMBL4205799 1 7.92
CHEMBL4215836 1 7.82
CHEMBL4204231 1 7.14
CHEMBL4218963 1 6.60
CHEMBL4209637 1 6.13
CHEMBL4203618 1 6.04
CHEMBL4210869 1 5.96
CHEMBL4216658 1 5.91
CHEMBL4218759 1 5.77
CHEMBL4215825 1 5.68
CHEMBL4209094 1 5.64
CHEMBL4215285 1 5.62
CHEMBL309339 SALICYLHYDROXAMIC ACID 1 5.23
CHEMBL4208808 1 -
CHEMBL4214233 1 -
CHEMBL4214550 1 -
CHEMBL4211387 1 -
CHEMBL4218451 1 -
CHEMBL4207025 1 -
CHEMBL4206705 1 -
CHEMBL4218131 1 -
CHEMBL4213204 1 -
CHEMBL4205256 1 -
CHEMBL4212516 1 -
CHEMBL4207610 1 -
CHEMBL4209349 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL133046 ASCOFURANONE IC50 = 2.0 nM 8.70
CHEMBL4216944 IC50 = 3.1 nM 8.51
CHEMBL4213740 IC50 = 4.2 nM 8.38
CHEMBL4203629 IC50 = 9.1 nM 8.04
CHEMBL4205799 IC50 = 12.0 nM 7.92
CHEMBL4215836 IC50 = 15.0 nM 7.82
CHEMBL4204231 IC50 = 73.0 nM 7.14
CHEMBL4218963 IC50 = 250.0 nM 6.60
CHEMBL4209637 IC50 = 740.0 nM 6.13
CHEMBL4203618 IC50 = 920.0 nM 6.04
CHEMBL4210869 IC50 = 1100.0 nM 5.96
CHEMBL4216658 IC50 = 1230.0 nM 5.91
CHEMBL4218759 IC50 = 1690.0 nM 5.77
CHEMBL4215825 IC50 = 2100.0 nM 5.68
CHEMBL4209094 IC50 = 2300.0 nM 5.64
CHEMBL4215285 IC50 = 2400.0 nM 5.62
CHEMBL309339 SALICYLHYDROXAMIC ACID IC50 = 5930.0 nM 5.23
CHEMBL4204981 IC50 > 5000.0 nM -
CHEMBL4204480 IC50 > 5000.0 nM -
CHEMBL4216427 IC50 > 5000.0 nM -
CHEMBL4204751 IC50 > 5000.0 nM -
CHEMBL4211974 IC50 > 5000.0 nM -
CHEMBL4209349 IC50 > 5000.0 nM -
CHEMBL4207610 IC50 > 5000.0 nM -
CHEMBL4212516 IC50 > 5000.0 nM -
CHEMBL4205256 IC50 > 5000.0 nM -
CHEMBL4213204 IC50 > 5000.0 nM -
CHEMBL4218131 IC50 > 5000.0 nM -
CHEMBL4206705 IC50 > 5000.0 nM -
CHEMBL4207025 IC50 > 5000.0 nM -
CHEMBL4218451 IC50 > 5000.0 nM -
CHEMBL4211387 IC50 > 5000.0 nM -
CHEMBL4214550 IC50 > 5000.0 nM -
CHEMBL4214233 IC50 > 5000.0 nM -
CHEMBL4208808 IC50 > 5000.0 nM -