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Target
Histone deacetylase 8
Ligand
BDBM50578958
Substrate
n/a
Meas. Tech.
ChEMBL_2134343 (CHEMBL4843953)
IC50
110±n/a nM
Citation
 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 Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis. Eur J Med Chem 225:0 (2021) [PubMed]  Article 
Target
Name:
Histone deacetylase 8
Synonyms:
HDAC8 | Histone deacetylase 8
Type:
PROTEIN
Mol. Mass.:
49771.73
Organism:
Schistosoma mansoni
Description:
ChEMBL_116785
Residue:
440
Sequence:
MSVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQWDSPSRMYEAVTAFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNYDCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEASGFCYLNDIVLAIHRLVSSTPPETSPNRQTRVLYVDLDLHHGDGVEEAFWYSPRVVTFSVHHASPGFFPGTGTWNMVDNDKLPIFLNGAGRGRFSAFNLPLEEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTNFYPNLNLDSDCDSECSLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARLWTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPHESHNKTLDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLTGM
  
Inhibitor
Name:
BDBM50578958
Synonyms:
CHEMBL4849600
Type:
Small organic molecule
Emp. Form.:
C20H14Cl2N2O3
Mol. Mass.:
401.243
SMILES:
ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(cc2Cl)-c2ccccc2)c1
Structure:
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