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Target
Histone deacetylase
Ligand
BDBM50331107
Substrate
n/a
Meas. Tech.
ChEMBL_686384 (CHEMBL1293140)
IC50
78±n/a nM
Citation
 Wheatley, NC; Andrews, KT; Tran, TL; Lucke, AJ; Reid, RC; Fairlie, DP Antimalarial histone deacetylase inhibitors containing cinnamate or NSAID components. Bioorg Med Chem Lett 20:7080-4 (2010) [PubMed]  Article 
Target
Name:
Histone deacetylase
Synonyms:
Histone Deacetylase (pfHDAC-1)
Type:
Enzyme
Mol. Mass.:
51371.91
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
Assays were performed using recombinant pfHDAC-1 expressed and purified from S2 insect cells.
Residue:
449
Sequence:
MSNRKKVAYFHDPDIGSYYYGAGHPMKPQRIRMTHSLIVSYNLYKYMEVYRPHKSDVNELTLFHDYEYIDFLSSISLENYREFTYQLKRFNVGEATDCPVFDGLFQFQQSCAGASIDGASKLNHHCADICVNWSGGLHHAKMSEASGFCYINDIVLGILELLKYHARVMYIDIDVHHGDGVEEAFYVTHRVMTVSFHKFGDYFPGTGDITDVGVNHGKYYSVNVPLNDGMTDDAFVDLFKVVIDKCVQTYRPGAIIIQCGADSLTGDRLGRFNLTIKGHARCVEHVRSYNIPLLVLGGGGYTIRNVSRCWAYETGVVLNKHHEMPDQISLNDYYDYYAPDFQLHLQPSNIPNYNSPEHLSRIKMKIAENLRHIEHAPGVQFSYVPPDFFNSDIDDESDKNQYELKDDSGGGRAPGTRAKEHSTTHHLRRKNYDDDFFDLSDRDQSIVPY
  
Inhibitor
Name:
BDBM50331107
Synonyms:
(S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-ylamino)octan-2-yl)-1H-indole-2-carboxamide | (S)-N8-hydroxy-2-(1H-indole-2-carboxamido)-N1-(quinolin-8-yl)octanediamide | CHEMBL221655
Type:
Small organic molecule
Emp. Form.:
C26H27N5O4
Mol. Mass.:
473.5237
SMILES:
ONC(=O)CCCCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc2cccnc12 |r|
Structure:
Search PDB for entries with ligand similarity: