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Assay Detail

CHEMBL4014727

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Binding
Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay
ChEMBL ↗
169
Total Activities
168
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Schistosoma mansoni
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Histone deacetylase 8 (CHEMBL3797017) ↗
Type SINGLE PROTEIN
Organism Schistosoma mansoni

Publication

Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy.
Ballante F, Reddy DR, Zhou NJ, Marshall GR.
Bioorg Med Chem (2017) 25 : 2105 -2132
PubMed 28259528 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 169 6.03 7.17

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3797843 — — 1 7.17
CHEMBL3800394 — — 1 7.12
CHEMBL3799246 — — 1 7.04
CHEMBL3798183 — — 1 7.02
CHEMBL3799297 — — 1 6.97
CHEMBL3797597 — — 1 6.93
CHEMBL3797442 — — 1 6.92
CHEMBL3798028 — — 1 6.89
CHEMBL3799728 — — 1 6.86
CHEMBL3798503 — — 1 6.84
CHEMBL3797455 — — 1 6.83
CHEMBL3800411 — — 1 6.82
CHEMBL3798925 — — 1 6.75
CHEMBL3799265 — — 1 6.74
CHEMBL3797232 — — 1 6.72
CHEMBL3798870 — — 1 6.72
CHEMBL3800057 — — 1 6.66
CHEMBL3800615 — — 1 6.63
CHEMBL3799434 — — 1 6.57
CHEMBL3797516 — — 1 6.57
CHEMBL3797540 — — 1 6.54
CHEMBL3798892 — — 1 6.52
CHEMBL3797939 — — 1 6.42
CHEMBL3798599 — — 1 6.40
CHEMBL3798027 — — 1 6.40
CHEMBL483254 PANOBINOSTAT 4.0 1 6.35
CHEMBL3797314 — — 1 6.33
CHEMBL3800182 — — 1 6.31
CHEMBL98 VORINOSTAT 4.0 2 6.23
CHEMBL3798833 — — 1 6.22

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3797843 — IC50 = 67.61 nM 7.17
CHEMBL3800394 — IC50 = 75.86 nM 7.12
CHEMBL3799246 — IC50 = 91.2 nM 7.04
CHEMBL3798183 — IC50 = 95.5 nM 7.02
CHEMBL3799297 — IC50 = 107.15 nM 6.97
CHEMBL3797597 — IC50 = 117.49 nM 6.93
CHEMBL3797442 — IC50 = 120.23 nM 6.92
CHEMBL3798028 — IC50 = 128.82 nM 6.89
CHEMBL3799728 — IC50 = 138.04 nM 6.86
CHEMBL3798503 — IC50 = 144.54 nM 6.84
CHEMBL3797455 — IC50 = 147.91 nM 6.83
CHEMBL3800411 — IC50 = 151.36 nM 6.82
CHEMBL3798925 — IC50 = 177.83 nM 6.75
CHEMBL3799265 — IC50 = 181.97 nM 6.74
CHEMBL3798870 — IC50 = 190.55 nM 6.72
CHEMBL3797232 — IC50 = 190.55 nM 6.72
CHEMBL3800057 — IC50 = 218.78 nM 6.66
CHEMBL3800615 — IC50 = 234.42 nM 6.63
CHEMBL3797516 — IC50 = 269.15 nM 6.57
CHEMBL3799434 — IC50 = 269.15 nM 6.57
CHEMBL3797540 — IC50 = 288.4 nM 6.54
CHEMBL3798892 — IC50 = 302.0 nM 6.52
CHEMBL3797939 — IC50 = 380.19 nM 6.42
CHEMBL3798599 — IC50 = 398.11 nM 6.40
CHEMBL3798027 — IC50 = 398.11 nM 6.40
CHEMBL483254 PANOBINOSTAT IC50 = 450.0 nM 6.35
CHEMBL3797314 — IC50 = 467.74 nM 6.33
CHEMBL3800182 — IC50 = 489.78 nM 6.31
CHEMBL98 VORINOSTAT IC50 = 590.0 nM 6.23
CHEMBL3798833 — IC50 = 602.56 nM 6.22
CHEMBL3798937 — IC50 = 691.83 nM 6.16
CHEMBL2417780 — IC50 = 794.33 nM 6.10
CHEMBL3759982 — IC50 = 891.25 nM 6.05
CHEMBL3799183 — IC50 = 977.24 nM 6.01
CHEMBL3799897 — IC50 = 1071.52 nM 5.97
CHEMBL3798613 — IC50 = 1230.27 nM 5.91
CHEMBL4071111 — IC50 = 1412.54 nM 5.85
CHEMBL4082625 — IC50 = 1479.11 nM 5.83
CHEMBL2018302 TUBASTATIN A IC50 = 1479.11 nM 5.83
CHEMBL98 VORINOSTAT IC50 = 1548.82 nM 5.81
CHEMBL4078503 — IC50 = 1584.89 nM 5.80
CHEMBL96051 SCRIPTAID IC50 = 1770.0 nM 5.75
CHEMBL4070636 — IC50 = 1905.46 nM 5.72
CHEMBL4062336 — IC50 = 2511.89 nM 5.60
CHEMBL142988 — IC50 = 2884.03 nM 5.54
CHEMBL4090055 — IC50 = 3019.95 nM 5.52
CHEMBL140000 — IC50 = 3162.28 nM 5.50
CHEMBL3800299 — IC50 = 3630.78 nM 5.44
CHEMBL99 TRICHOSTATIN IC50 = 3620.0 nM 5.44
CHEMBL2094337 — IC50 = 4365.16 nM 5.36