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Assay Detail

CHEMBL1048801

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

Binding
Inhibition of Trypanosoma cruzi cruzain after 15 mins
33
Total Activities
33
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cruzipain (CHEMBL3563)
Type SINGLE PROTEIN
Organism Trypanosoma cruzi

Publication

Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
Mott BT, Ferreira RS, Simeonov A, Jadhav A, Ang KK, Leister W, Shen M, Silveira JT, Doyle PS, Arkin MR, McKerrow JH, Inglese J, Austin CP, Thomas CJ, Shoichet BK, Maloney DJ.
J Med Chem (2010) 53 : 52 -60
PubMed 19908842 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 33 6.71 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL567341 1 8.00
CHEMBL578159 1 7.89
CHEMBL577121 1 7.75
CHEMBL567142 1 7.75
CHEMBL567340 1 7.60
CHEMBL578162 1 7.40
CHEMBL567786 1 7.30
CHEMBL568171 1 7.20
CHEMBL567783 1 7.20
CHEMBL566904 1 7.20
CHEMBL566905 1 7.15
CHEMBL567784 1 7.10
CHEMBL567785 1 7.10
CHEMBL566924 1 7.00
CHEMBL576648 1 6.90
CHEMBL567147 1 6.90
CHEMBL567134 1 6.60
CHEMBL585873 1 6.50
CHEMBL568172 1 6.40
CHEMBL566069 1 6.15
CHEMBL567161 1 6.15
CHEMBL576847 1 6.10
CHEMBL567137 1 6.05
CHEMBL566067 1 6.05
CHEMBL565866 1 6.05
CHEMBL567135 1 6.05
CHEMBL566691 1 6.05
CHEMBL566903 1 5.95
CHEMBL567354 1 5.90
CHEMBL578161 1 5.85

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL567341 IC50 = 10.0 nM 8.00
CHEMBL578159 IC50 = 13.0 nM 7.89
CHEMBL577121 IC50 = 18.0 nM 7.75
CHEMBL567142 IC50 = 18.0 nM 7.75
CHEMBL567340 IC50 = 25.0 nM 7.60
CHEMBL578162 IC50 = 40.0 nM 7.40
CHEMBL567786 IC50 = 50.0 nM 7.30
CHEMBL568171 IC50 = 63.0 nM 7.20
CHEMBL567783 IC50 = 63.0 nM 7.20
CHEMBL566904 IC50 = 63.0 nM 7.20
CHEMBL566905 IC50 = 71.0 nM 7.15
CHEMBL567784 IC50 = 79.0 nM 7.10
CHEMBL567785 IC50 = 79.0 nM 7.10
CHEMBL566924 IC50 = 100.0 nM 7.00
CHEMBL567147 IC50 = 126.0 nM 6.90
CHEMBL576648 IC50 = 126.0 nM 6.90
CHEMBL567134 IC50 = 251.0 nM 6.60
CHEMBL585873 IC50 = 316.0 nM 6.50
CHEMBL568172 IC50 = 398.0 nM 6.40
CHEMBL566069 IC50 = 710.0 nM 6.15
CHEMBL567161 IC50 = 710.0 nM 6.15
CHEMBL576847 IC50 = 790.0 nM 6.10
CHEMBL567137 IC50 = 890.0 nM 6.05
CHEMBL566067 IC50 = 890.0 nM 6.05
CHEMBL565866 IC50 = 890.0 nM 6.05
CHEMBL567135 IC50 = 890.0 nM 6.05
CHEMBL566691 IC50 = 890.0 nM 6.05
CHEMBL566903 IC50 = 1122.0 nM 5.95
CHEMBL567354 IC50 = 1260.0 nM 5.90
CHEMBL578161 IC50 = 1410.0 nM 5.85
CHEMBL567769 IC50 = 1580.0 nM 5.80
CHEMBL566273 IC50 = 2239.0 nM 5.65
CHEMBL579273 IC50 - -