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Assay Detail

CHEMBL3860993

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

ADMET
Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate after 30 mins by fluorescence analysis
9
Total Activities
9
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Cell Type Sf9
Confidence 7 — Homologous single protein target
Curated By Autocuration

Publication

Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease.
Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.
J Med Chem (2016) 59 : 8967 -9004
PubMed 27606546 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 9 7.07 7.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3907730 1 7.51
CHEMBL3970984 1 7.44
CHEMBL3979179 1 7.37
CHEMBL3895838 1 7.29
CHEMBL3986487 1 7.27
CHEMBL3982024 1 6.62
CHEMBL3955253 1 6.55
CHEMBL3900593 1 6.49
CHEMBL3932796 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3907730 IC50 = 31.0 nM 7.51
CHEMBL3970984 IC50 = 36.0 nM 7.44
CHEMBL3979179 IC50 = 43.0 nM 7.37
CHEMBL3895838 IC50 = 51.0 nM 7.29
CHEMBL3986487 IC50 = 54.0 nM 7.27
CHEMBL3982024 IC50 = 239.0 nM 6.62
CHEMBL3955253 IC50 = 279.0 nM 6.55
CHEMBL3900593 IC50 = 322.0 nM 6.49
CHEMBL3932796 IC50 > 20000.0 nM -