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Assay Detail

CHEMBL4125283

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

Binding
Binding affinity to Candida albicans CYP51 by spectral titration method
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Candida albicans
Confidence 8 — Homologous single protein target
Curated By Intermediate

Target

Lanosterol 14-alpha demethylase (CHEMBL1780)
Type SINGLE PROTEIN
Organism Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)

Publication

Sterol 14α-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
Friggeri L, Hargrove TY, Wawrzak Z, Blobaum AL, Rachakonda G, Lindsley CW, Villalta F, Nes WD, Botta M, Guengerich FP, Lepesheva GI.
J Med Chem (2018) 61 : 5679 -5691
PubMed 29894182 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 8 7.35 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4128885 1 8.00
CHEMBL4129161 1 7.89
CHEMBL4127493 1 7.89
CHEMBL4128615 1 7.60
CHEMBL1397 POSACONAZOLE 4.0 1 7.09
CHEMBL4126063 1 7.02
CHEMBL638 VORICONAZOLE 4.0 1 6.78
CHEMBL1236677 1 6.54

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4128885 Kd = 10.0 nM 8.00
CHEMBL4129161 Kd = 13.0 nM 7.89
CHEMBL4127493 Kd = 13.0 nM 7.89
CHEMBL4128615 Kd = 25.0 nM 7.60
CHEMBL1397 POSACONAZOLE Kd = 81.0 nM 7.09
CHEMBL4126063 Kd = 95.0 nM 7.02
CHEMBL638 VORICONAZOLE Kd = 165.0 nM 6.78
CHEMBL1236677 Kd = 290.0 nM 6.54