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Assay Detail

CHEMBL4843953

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

Binding
Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys as substrate incubated for 90 mins by fluorescence method
37
Total Activities
37
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

Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis.
Ghazy E, Heimburg T, Lancelot J, Zeyen P, Schmidtkunz K, Truhn A, Darwish S, Simoben CV, Shaik TB, Erdmann F, Schmidt M, Robaa D, Romier C, Jung M, Pierce R, Sippl W.
Eur J Med Chem (2021) 225 : 113745 -113745
PubMed 34392190 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 6.53 7.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4855490 1 7.00
CHEMBL4867041 1 7.00
CHEMBL4853162 1 7.00
CHEMBL4849600 1 6.96
CHEMBL4852163 1 6.96
CHEMBL4870162 1 6.85
CHEMBL4870316 1 6.82
CHEMBL4870946 1 6.80
CHEMBL4850958 1 6.77
CHEMBL4874213 1 6.75
CHEMBL4846424 1 6.75
CHEMBL4853828 1 6.70
CHEMBL4868510 1 6.68
CHEMBL4865911 1 6.66
CHEMBL4847326 1 6.57
CHEMBL4876103 1 6.55
CHEMBL3800394 1 6.54
CHEMBL4866890 1 6.54
CHEMBL4095643 1 6.51
CHEMBL4850091 1 6.50
CHEMBL4877604 1 6.50
CHEMBL4878820 1 6.48
CHEMBL4867661 1 6.48
CHEMBL4065863 1 6.48
CHEMBL4093480 1 6.48
CHEMBL4857763 1 6.40
CHEMBL4847732 1 6.37
CHEMBL2170177 1 6.36
CHEMBL4869895 1 6.35
CHEMBL4851537 1 6.35

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4855490 IC50 = 100.0 nM 7.00
CHEMBL4853162 IC50 = 100.0 nM 7.00
CHEMBL4867041 IC50 = 100.0 nM 7.00
CHEMBL4849600 IC50 = 110.0 nM 6.96
CHEMBL4852163 IC50 = 110.0 nM 6.96
CHEMBL4870162 IC50 = 140.0 nM 6.85
CHEMBL4870316 IC50 = 150.0 nM 6.82
CHEMBL4870946 IC50 = 160.0 nM 6.80
CHEMBL4850958 IC50 = 170.0 nM 6.77
CHEMBL4846424 IC50 = 180.0 nM 6.75
CHEMBL4874213 IC50 = 180.0 nM 6.75
CHEMBL4853828 IC50 = 200.0 nM 6.70
CHEMBL4868510 IC50 = 210.0 nM 6.68
CHEMBL4865911 IC50 = 220.0 nM 6.66
CHEMBL4847326 IC50 = 270.0 nM 6.57
CHEMBL4876103 IC50 = 280.0 nM 6.55
CHEMBL3800394 IC50 = 290.0 nM 6.54
CHEMBL4866890 IC50 = 290.0 nM 6.54
CHEMBL4095643 IC50 = 310.0 nM 6.51
CHEMBL4877604 IC50 = 320.0 nM 6.50
CHEMBL4850091 IC50 = 320.0 nM 6.50
CHEMBL4878820 IC50 = 330.0 nM 6.48
CHEMBL4867661 IC50 = 330.0 nM 6.48
CHEMBL4065863 IC50 = 330.0 nM 6.48
CHEMBL4093480 IC50 = 330.0 nM 6.48
CHEMBL4857763 IC50 = 400.0 nM 6.40
CHEMBL4847732 IC50 = 430.0 nM 6.37
CHEMBL2170177 IC50 = 440.0 nM 6.36
CHEMBL4869895 IC50 = 450.0 nM 6.35
CHEMBL4851537 IC50 = 450.0 nM 6.35
CHEMBL4872247 IC50 = 520.0 nM 6.28
CHEMBL4852733 IC50 = 580.0 nM 6.24
CHEMBL4876086 IC50 = 610.0 nM 6.21
CHEMBL4869825 IC50 = 730.0 nM 6.14
CHEMBL4872326 IC50 = 730.0 nM 6.14
CHEMBL98 VORINOSTAT IC50 = 1560.0 nM 5.81
CHEMBL4846516 IC50 = 2080.0 nM 5.68