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Assay Detail

CHEMBL5549252

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

Binding
Binding affinity to Acanthamoeba castellanii CYP51 expressed in Escherichia coli HMS-174 (DE3) cells assessed as dissociation constant by UV-Visible spectrophotometry
3
Total Activities
3
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Acanthamoeba castellanii
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Identification of Potent and Selective Inhibitors of <i>Acanthamoeba</i>: Structural Insights into Sterol 14α-Demethylase as a Key Drug Target.
Hargrove TY, Lamb DC, Wawrzak Z, Hull M, Kelly SL, Guengerich FP, Lepesheva GI.
J Med Chem (2024) 67 : 7443 -7457
PubMed 38683753 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 3 7.28 8.41

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3311228 OTESECONAZOLE 4.0 1 8.41
CHEMBL481434 OBTUSIFOLIOL 1 7.52
CHEMBL225111 LANOSTEROL 1 5.91

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3311228 OTESECONAZOLE Kd = 3.9 nM 8.41
CHEMBL481434 OBTUSIFOLIOL Kd = 30.0 nM 7.52
CHEMBL225111 LANOSTEROL Kd = 1220.0 nM 5.91