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Assay Detail

CHEMBL1677688

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Binding
Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affinity constant
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Aspergillus fumigatus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

14-alpha sterol demethylase (CHEMBL1681624)
Type SINGLE PROTEIN
Organism Neosartorya fumigata (Aspergillus fumigatus)

Publication

Expression, purification, and characterization of Aspergillus fumigatus sterol 14-alpha demethylase (CYP51) isoenzymes A and B.
Warrilow AG, Melo N, Martel CM, Parker JE, Nes WD, Kelly SL, Kelly DE.
Antimicrob Agents Chemother (2010) 54 : 4225 -4234
PubMed 20660663 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 4 7.00 7.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL64391 ITRACONAZOLE 4.0 1 7.51
CHEMBL1397 POSACONAZOLE 4.0 1 7.14
CHEMBL104 CLOTRIMAZOLE 4.0 1 6.99
CHEMBL638 VORICONAZOLE 4.0 1 6.37

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL64391 ITRACONAZOLE Kd = 31.0 nM 7.51
CHEMBL1397 POSACONAZOLE Kd = 73.0 nM 7.14
CHEMBL104 CLOTRIMAZOLE Kd = 103.0 nM 6.99
CHEMBL638 VORICONAZOLE Kd = 429.0 nM 6.37