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Assay Detail

CHEMBL2013514

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

Binding
Inhibition of N-terminal 6-histine tagged Bacillus anthracis LF 263-C terminal catalytic domain using MCA-KKVYPYPME-Dap(Dnp)-NH2 as substrate after 4 hrs by FRET analysis
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Bacillus anthracis
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Lethal factor (CHEMBL4372)
Type SINGLE PROTEIN
Organism Bacillus anthracis

Publication

Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the C2-side chain.
Jiao GS, Kim S, Moayeri M, Crown D, Thai A, Cregar-Hernandez L, McKasson L, Sankaran B, Lehrer A, Wong T, Johns L, Margosiak SA, Leppla SH, Johnson AT.
Bioorg Med Chem Lett (2012) 22 : 2242 -2246
PubMed 22342144 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 16 9.45 10.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2012752 1 10.40
CHEMBL2012753 1 9.96
CHEMBL1760324 1 9.89
CHEMBL2012836 1 9.77
CHEMBL2012832 1 9.64
CHEMBL1269994 1 9.62
CHEMBL2012838 1 9.57
CHEMBL2012750 1 9.52
CHEMBL2010824 1 9.51
CHEMBL2012751 1 9.31
CHEMBL1760318 1 9.24
CHEMBL2012834 1 9.22
CHEMBL2012837 1 9.00
CHEMBL1760322 1 8.92
CHEMBL2012833 1 8.89
CHEMBL2012835 1 8.70

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2012752 Ki = 0.04 nM 10.40
CHEMBL2012753 Ki = 0.11 nM 9.96
CHEMBL1760324 Ki = 0.13 nM 9.89
CHEMBL2012836 Ki = 0.17 nM 9.77
CHEMBL2012832 Ki = 0.23 nM 9.64
CHEMBL1269994 Ki = 0.24 nM 9.62
CHEMBL2012838 Ki = 0.27 nM 9.57
CHEMBL2012750 Ki = 0.3 nM 9.52
CHEMBL2010824 Ki = 0.31 nM 9.51
CHEMBL2012751 Ki = 0.49 nM 9.31
CHEMBL1760318 Ki = 0.58 nM 9.24
CHEMBL2012834 Ki = 0.6 nM 9.22
CHEMBL2012837 Ki = 1.0 nM 9.00
CHEMBL1760322 Ki = 1.2 nM 8.92
CHEMBL2012833 Ki = 1.3 nM 8.89
CHEMBL2012835 Ki = 2.0 nM 8.70