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Assay Detail

CHEMBL3705880

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Binding
Inhibition Assay: Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-to-Bac system (Invitrogen). Test compounds were serially diluted to reach final test concentrations from 0.000128 uM to 10 uM. HDAC4 and test compounds were incubated in 25 mM Tris buffer pH 8.0 containing 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.05% (w/v) bovine serum albumine and 0.005% (v/v) Triton-X-100 for 2 hours at room temperature in presence of 5 uM of acetyl-Gly-Ala-Lys(E-trifluoroacetyl)-AMC (AMC=7-amino-4-methyl coumarin) in a final volume of 9 ul. Control wells with HDAC4 only (positive control) and without HDAC4 (negative control) were included on the microplate. Bovine trypsin (4.5 ul of a 300 nM solution) was added and the plate incubated for additional 15 minutes at room temperature. The plate was placed in a fluorescence microplate reader, and read at an excitation wavelength of 360 nm.
151
Total Activities
148
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Sf9
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Histone deacetylase 4 (CHEMBL3524)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Trifluoromethyl-oxadiazole derivatives and their use in the treatment of disease
(2015)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 151 6.74 9.12

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3692678 1 9.12
CHEMBL3692689 1 9.07
CHEMBL3692671 1 9.01
CHEMBL3692673 1 9.00
CHEMBL3692683 1 8.96
CHEMBL3692676 1 8.92
CHEMBL3639915 1 8.85
CHEMBL3692679 1 8.80
CHEMBL3692684 1 8.74
CHEMBL3692686 1 8.44
CHEMBL3692672 1 8.35
CHEMBL3692666 1 8.30
CHEMBL3692675 1 8.14
CHEMBL3692657 1 8.12
CHEMBL3692685 1 8.08
CHEMBL3692660 1 8.05
CHEMBL3692670 1 8.05
CHEMBL3692668 1 8.01
CHEMBL3692665 1 8.00
CHEMBL3692669 1 8.00
CHEMBL3692664 1 7.96
CHEMBL3692622 1 7.92
CHEMBL3692688 1 7.92
CHEMBL3692663 1 7.89
CHEMBL3692619 1 7.82
CHEMBL3692655 1 7.82
CHEMBL3692589 1 7.58
CHEMBL3692616 3 7.58
CHEMBL3692662 1 7.58
CHEMBL3692614 1 7.52

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3692678 IC50 = 0.75 nM 9.12
CHEMBL3692689 IC50 = 0.85 nM 9.07
CHEMBL3692671 IC50 = 0.97 nM 9.01
CHEMBL3692673 IC50 = 1.0 nM 9.00
CHEMBL3692683 IC50 = 1.1 nM 8.96
CHEMBL3692676 IC50 = 1.2 nM 8.92
CHEMBL3639915 IC50 = 1.4 nM 8.85
CHEMBL3692679 IC50 = 1.6 nM 8.80
CHEMBL3692684 IC50 = 1.8 nM 8.74
CHEMBL3692686 IC50 = 3.6 nM 8.44
CHEMBL3692672 IC50 = 4.5 nM 8.35
CHEMBL3692666 IC50 = 5.0 nM 8.30
CHEMBL3692675 IC50 = 7.2 nM 8.14
CHEMBL3692657 IC50 = 7.6 nM 8.12
CHEMBL3692685 IC50 = 8.4 nM 8.08
CHEMBL3692670 IC50 = 8.9 nM 8.05
CHEMBL3692660 IC50 = 8.9 nM 8.05
CHEMBL3692668 IC50 = 9.8 nM 8.01
CHEMBL3692669 IC50 = 10.0 nM 8.00
CHEMBL3692665 IC50 = 10.0 nM 8.00
CHEMBL3692664 IC50 = 11.0 nM 7.96
CHEMBL3692688 IC50 = 12.0 nM 7.92
CHEMBL3692622 IC50 = 12.0 nM 7.92
CHEMBL3692663 IC50 = 13.0 nM 7.89
CHEMBL3692655 IC50 = 15.0 nM 7.82
CHEMBL3692619 IC50 = 15.0 nM 7.82
CHEMBL3692616 IC50 = 26.0 nM 7.58
CHEMBL3692589 IC50 = 26.0 nM 7.58
CHEMBL3692662 IC50 = 26.0 nM 7.58
CHEMBL3692614 IC50 = 30.0 nM 7.52
CHEMBL3692617 IC50 = 34.0 nM 7.47
CHEMBL3692653 IC50 = 36.0 nM 7.44
CHEMBL3692690 IC50 = 40.0 nM 7.40
CHEMBL3692661 IC50 = 44.0 nM 7.36
CHEMBL3692623 IC50 = 45.0 nM 7.35
CHEMBL3692621 IC50 = 48.0 nM 7.32
CHEMBL3692659 IC50 = 53.0 nM 7.28
CHEMBL3692609 IC50 = 53.0 nM 7.28
CHEMBL3692583 IC50 = 54.0 nM 7.27
CHEMBL3692637 IC50 = 80.0 nM 7.10
CHEMBL3692568 IC50 = 80.0 nM 7.10
CHEMBL3692626 IC50 = 85.0 nM 7.07
CHEMBL3692656 IC50 = 85.0 nM 7.07
CHEMBL3692587 IC50 = 90.0 nM 7.05
CHEMBL3692642 IC50 = 93.0 nM 7.03
CHEMBL3692630 IC50 = 96.0 nM 7.02
CHEMBL3692643 IC50 = 97.0 nM 7.01
CHEMBL3692651 IC50 = 110.0 nM 6.96
CHEMBL3692687 IC50 = 110.0 nM 6.96
CHEMBL3692618 IC50 = 120.0 nM 6.92