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Assay Detail

CHEMBL2188143

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

Binding
Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins
14
Total Activities
14
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Staphylococcus aureus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (CHEMBL3994)
Type SINGLE PROTEIN
Organism Staphylococcus aureus

Publication

From triclosan toward the clinic: discovery of nonbiocidal, potent FabI inhibitors for the treatment of resistant bacteria.
Gerusz V, Denis A, Faivre F, Bonvin Y, Oxoby M, Briet S, LeFralliec G, Oliveira C, Desroy N, Raymond C, Peltier L, Moreau F, Escaich S, Vongsouthi V, Floquet S, Drocourt E, Walton A, Prouvensier L, Saccomani M, Durant L, Genevard JM, Sam-Sambo V, Soulama-Mouze C.
J Med Chem (2012) 55 : 9914 -9928
PubMed 23092194 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 14 7.27 8.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2178304 1 8.10
CHEMBL2178284 1 7.92
CHEMBL2178291 1 7.89
CHEMBL2178287 1 7.80
CHEMBL2178286 1 7.55
CHEMBL2178305 1 7.51
CHEMBL2178303 1 7.43
CHEMBL2178282 1 7.32
CHEMBL2178289 1 7.25
CHEMBL849 TRICLOSAN 4.0 1 7.23
CHEMBL2178285 1 7.09
CHEMBL2178288 1 6.75
CHEMBL2178283 1 4.68
CHEMBL2178290 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2178304 IC50 = 8.0 nM 8.10
CHEMBL2178284 IC50 = 12.0 nM 7.92
CHEMBL2178291 IC50 = 13.0 nM 7.89
CHEMBL2178287 IC50 = 16.0 nM 7.80
CHEMBL2178286 IC50 = 28.0 nM 7.55
CHEMBL2178305 IC50 = 31.0 nM 7.51
CHEMBL2178303 IC50 = 37.0 nM 7.43
CHEMBL2178282 IC50 = 48.0 nM 7.32
CHEMBL2178289 IC50 = 56.0 nM 7.25
CHEMBL849 TRICLOSAN IC50 = 59.0 nM 7.23
CHEMBL2178285 IC50 = 82.0 nM 7.09
CHEMBL2178288 IC50 = 180.0 nM 6.75
CHEMBL2178283 IC50 = 21000.0 nM 4.68
CHEMBL2178290 IC50 > 100000.0 nM -