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Assay Detail

CHEMBL2013522

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

ADMET
Inhibition of CYP2D6
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Cytochrome P450 2D6 (CHEMBL289)
Type SINGLE PROTEIN
Organism Homo sapiens

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
IC50 8 6.64 7.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1760324 1 7.70
CHEMBL2010824 1 7.10
CHEMBL2012838 1 6.80
CHEMBL1760322 1 6.64
CHEMBL2012836 1 6.62
CHEMBL2012837 1 6.47
CHEMBL1760318 1 5.90
CHEMBL1269994 1 5.87

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1760324 IC50 = 20.0 nM 7.70
CHEMBL2010824 IC50 = 80.0 nM 7.10
CHEMBL2012838 IC50 = 160.0 nM 6.80
CHEMBL1760322 IC50 = 230.0 nM 6.64
CHEMBL2012836 IC50 = 240.0 nM 6.62
CHEMBL2012837 IC50 = 340.0 nM 6.47
CHEMBL1760318 IC50 = 1260.0 nM 5.90
CHEMBL1269994 IC50 = 1350.0 nM 5.87