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Target
Histone deacetylase 8
Ligand
BDBM50164514
Substrate
n/a
Meas. Tech.
ChEMBL_1575026 (CHEMBL3803623)
IC50
140±n/a nM
Citation
 Heimburg, T; Chakrabarti, A; Lancelot, J; Marek, M; Melesina, J; Hauser, AT; Shaik, TB; Duclaud, S; Robaa, D; Erdmann, F; Schmidt, M; Romier, C; Pierce, RJ; Jung, M; Sippl, W Structure-Based Design and Synthesis of Novel Inhibitors Targeting HDAC8 from Schistosoma mansoni for the Treatment of Schistosomiasis. J Med Chem 59:2423-35 (2016) [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:
BDBM50164514
Synonyms:
CHEMBL3799728
Type:
Small organic molecule
Emp. Form.:
C15H11F3N2O3
Mol. Mass.:
324.2546
SMILES:
ONC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)C(F)(F)F
Structure:
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