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Assay Detail

CHEMBL664073

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

Binding
Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Trypanosoma cruzi
Confidence 9 — Direct single protein target
Curated By Expert

Target

Cruzipain (CHEMBL3563)
Type SINGLE PROTEIN
Organism Trypanosoma cruzi

Publication

CoMFA and HQSAR of acylhydrazide cruzain inhibitors.
Rodrigues CR, Flaherty TM, Springer C, McKerrow JH, Cohen FE.
Bioorg Med Chem Lett (2002) 12 : 1537 -1541
PubMed 12031337 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 5.19 6.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL39253 1 6.70
CHEMBL39814 1 6.30
CHEMBL39161 1 6.22
CHEMBL416237 1 5.30
CHEMBL39255 1 5.22
CHEMBL38981 1 5.22
CHEMBL289374 1 5.22
CHEMBL40119 1 5.00
CHEMBL40165 1 5.00
CHEMBL39723 1 4.79
CHEMBL289164 1 4.70
CHEMBL40503 1 4.52
CHEMBL289764 1 4.52
CHEMBL38462 1 4.00
CHEMBL37464 1 -
CHEMBL285167 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL39253 IC50 = 199.53 nM 6.70
CHEMBL39814 IC50 = 501.19 nM 6.30
CHEMBL39161 IC50 = 602.56 nM 6.22
CHEMBL416237 IC50 = 5011.87 nM 5.30
CHEMBL39255 IC50 = 6025.6 nM 5.22
CHEMBL38981 IC50 = 6025.6 nM 5.22
CHEMBL289374 IC50 = 6025.6 nM 5.22
CHEMBL40119 IC50 = 10000.0 nM 5.00
CHEMBL40165 IC50 = 10000.0 nM 5.00
CHEMBL39723 IC50 = 16218.1 nM 4.79
CHEMBL289164 IC50 = 19952.62 nM 4.70
CHEMBL40503 IC50 = 30199.52 nM 4.52
CHEMBL289764 IC50 = 30199.52 nM 4.52
CHEMBL38462 IC50 = 100000.0 nM 4.00
CHEMBL37464 IC50 = 331131.12 nM -
CHEMBL285167 IC50 = 165958.69 nM -