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Assay Detail

CHEMBL658341

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

Binding
Inhibitory activity against recombinant human cathepsin S (cat S) expressed in baculovirus
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Cathepsin S (CHEMBL2954)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification of dipeptidyl nitriles as potent and selective inhibitors of cathepsin B through structure-based drug design.
Greenspan PD, Clark KL, Tommasi RA, Cowen SD, McQuire LW, Farley DL, van Duzer JH, Goldberg RL, Zhou H, Du Z, Fitt JJ, Coppa DE, Fang Z, Macchia W, Zhu L, Capparelli MP, Goldstein R, Wigg AM, Doughty JR, Bohacek RS, Knap AK.
J Med Chem (2001) 44 : 4524 -4534
PubMed 11741472 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 5 6.88 7.34

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL336228 1 7.34
CHEMBL342145 1 7.32
CHEMBL140756 1 7.06
CHEMBL140794 1 6.65
CHEMBL134083 1 6.03

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL336228 IC50 = 46.0 nM 7.34
CHEMBL342145 IC50 = 48.0 nM 7.32
CHEMBL140756 IC50 = 88.0 nM 7.06
CHEMBL140794 IC50 = 226.0 nM 6.65
CHEMBL134083 IC50 = 937.0 nM 6.03