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Assay Detail

CHEMBL4017022

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

Binding
Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition measured after 3 hrs by fluorescence assay
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 5 — Multiple protein complex / RNA
Curated By Autocuration

Target

Histone deacetylase 1/2/3/6 (CHEMBL3430896)
Type PROTEIN FAMILY
Organism Homo sapiens

Publication

Design, Multicomponent Synthesis, and Anticancer Activity of a Focused Histone Deacetylase (HDAC) Inhibitor Library with Peptoid-Based Cap Groups.
Krieger V, Hamacher A, Gertzen CGW, Senger J, Zwinderman MRH, Marek M, Romier C, Dekker FJ, Kurz T, Jung M, Gohlke H, Kassack MU, Hansen FK.
J Med Chem (2017) 60 : 5493 -5506
PubMed 28574690 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 5.65 6.50

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4069631 1 6.50
CHEMBL4090647 1 6.46
CHEMBL4080343 1 6.17
CHEMBL4098365 1 6.09
CHEMBL4059953 1 6.09
CHEMBL4095934 1 6.03
CHEMBL4066076 1 5.95
CHEMBL4095157 1 5.89
CHEMBL4074686 1 5.72
CHEMBL4088198 1 5.60
CHEMBL4100732 1 5.54
CHEMBL4082736 1 5.44
CHEMBL4068613 1 5.02
CHEMBL4090555 1 5.00
CHEMBL4082838 1 4.51
CHEMBL4060958 1 4.35
CHEMBL4062588 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4069631 IC50 = 320.0 nM 6.50
CHEMBL4090647 IC50 = 350.0 nM 6.46
CHEMBL4080343 IC50 = 680.0 nM 6.17
CHEMBL4098365 IC50 = 810.0 nM 6.09
CHEMBL4059953 IC50 = 820.0 nM 6.09
CHEMBL4095934 IC50 = 930.0 nM 6.03
CHEMBL4066076 IC50 = 1130.0 nM 5.95
CHEMBL4095157 IC50 = 1290.0 nM 5.89
CHEMBL4074686 IC50 = 1900.0 nM 5.72
CHEMBL4088198 IC50 = 2490.0 nM 5.60
CHEMBL4100732 IC50 = 2920.0 nM 5.54
CHEMBL4082736 IC50 = 3630.0 nM 5.44
CHEMBL4068613 IC50 = 9510.0 nM 5.02
CHEMBL4090555 IC50 = 10100.0 nM 5.00
CHEMBL4082838 IC50 = 30800.0 nM 4.51
CHEMBL4060958 IC50 = 44900.0 nM 4.35
CHEMBL4062588 IC50 = 102000.0 nM -