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Assay Detail

CHEMBL2401006

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Binding
Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Francisella tularensis subsp. tularensis SCHU S4
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Enoyl-[acyl-carrier-protein] reductase [NADH] (CHEMBL2150835)
Type SINGLE PROTEIN
Organism Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)

Publication

3-substituted indole inhibitors against Francisella tularensis FabI identified by structure-based virtual screening.
Hu X, Compton JR, Abdulhameed MD, Marchand CL, Robertson KL, Leary DH, Jadhav A, Hershfield JR, Wallqvist A, Friedlander AM, Legler PM.
J Med Chem (2013) 56 : 5275 -5287
PubMed 23815100 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 4.53 5.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2398664 1 5.22
CHEMBL2398663 1 4.96
CHEMBL1390649 1 4.92
CHEMBL2398662 1 4.35
CHEMBL1466 DICUMAROL 4.0 1 4.33
CHEMBL803 CYTARABINE 4.0 1 4.23
CHEMBL990 BUTENAFINE 4.0 1 4.12
CHEMBL595 PIOGLITAZONE 4.0 1 4.10

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2398664 IC50 = 6000.0 nM 5.22
CHEMBL2398663 IC50 = 11000.0 nM 4.96
CHEMBL1390649 IC50 = 12000.0 nM 4.92
CHEMBL2398662 IC50 = 45000.0 nM 4.35
CHEMBL1466 DICUMAROL IC50 = 47000.0 nM 4.33
CHEMBL803 CYTARABINE IC50 = 59000.0 nM 4.23
CHEMBL990 BUTENAFINE IC50 = 76000.0 nM 4.12
CHEMBL595 PIOGLITAZONE IC50 = 79000.0 nM 4.10