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Assay Detail

CHEMBL1832816

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

ADMET
Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assay
3
Total Activities
3
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

Discovery of (2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide (SB939), an orally active histone deacetylase inhibitor with a superior preclinical profile.
Wang H, Yu N, Chen D, Lee KC, Lye PL, Chang JW, Deng W, Ng MC, Lu T, Khoo ML, Poulsen A, Sangthongpitag K, Wu X, Hu C, Goh KC, Wang X, Fang L, Goh KL, Khng HH, Goh SK, Yeo P, Liu X, Bonday Z, Wood JM, Dymock BW, Kantharaj E, Sun ET.
J Med Chem (2011) 54 : 4694 -4720
PubMed 21634430 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 3 5.50 5.50

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1830424 1 5.50
CHEMBL3215861 1 -
CHEMBL1830397 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1830424 IC50 = 3170.0 nM 5.50
CHEMBL3215861 IC50 > 10000.0 nM -
CHEMBL1830397 IC50 > 10000.0 nM -