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Assay Detail

CHEMBL5549254

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

Binding
Catalytic inhibition of Acanthamoeba castellanii CYP51 expressed in Escherichia coli HMS-174 (DE3) cells assessed as inhibition of substrate induced 14alpha-demthylation using obtusifoliol as substrate incubated for 1 hr in presence of NADPH-CYP450 reductase by RP-HPLC analysis
8
Total Activities
8
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
IC50 8 5.57 6.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3311228 OTESECONAZOLE 4.0 1 6.70
CHEMBL4594426 VT-1598 1.0 1 6.60
CHEMBL638 VORICONAZOLE 4.0 1 6.35
CHEMBL3104375 1 5.89
CHEMBL3104526 1 5.26
CHEMBL4128885 1 4.69
CHEMBL1236677 1 4.56
CHEMBL3629567 1 4.54

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3311228 OTESECONAZOLE IC50 = 200.0 nM 6.70
CHEMBL4594426 VT-1598 IC50 = 250.0 nM 6.60
CHEMBL638 VORICONAZOLE IC50 = 450.0 nM 6.35
CHEMBL3104375 IC50 = 1300.0 nM 5.89
CHEMBL3104526 IC50 = 5500.0 nM 5.26
CHEMBL4128885 IC50 = 20300.0 nM 4.69
CHEMBL1236677 IC50 = 27300.0 nM 4.56
CHEMBL3629567 IC50 = 28900.0 nM 4.54