Reaction Details  Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50140882
Substrate
n/a
Meas. Tech.
ChEMBL_87871 (CHEMBL697293)
IC50
776±n/a nM
Citation
 Ragno, R; Mai, A; Massa, S; Cerbara, I; Valente, S; Bottoni, P; Scatena, R; Jesacher, F; Loidl, P; Brosch, G 3-(4-Aroyl-1-methyl-1H-pyrrol-2-yl)-N-hydroxy-2-propenamides as a new class of synthetic histone deacetylase inhibitors. 3. Discovery of novel lead compounds through structure-based drug design and docking studies. J Med Chem 47:1351-9 (2004) [PubMed]  Article
Target
Name:
Histone deacetylase 1
Synonyms:
HD1 | HDAC1_MOUSE | Hdac1 | Histone deacetylase 1/2
Type:
Protein
Mol. Mass.:
55062.26
Organism:
Mus musculus (Mouse)
Description:
O09106
Residue:
482
Sequence:
MAQTQGTKRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKANAEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVASAVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAIFKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGGGGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLEKIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEEDPDKRISICSSDKRIACEEEFSDSDEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVKLA
  
Inhibitor
Name:
BDBM50140882
Synonyms:
(E)-3-(5-Benzoyl-1-methyl-1H-pyrrol-3-yl)-N-hydroxy-acrylamide | 3-(5-benzoyl-1-methyl-1H-pyrrol-3-yl)-N-hydroxyacrylamide | CHEMBL29814
Type:
Small organic molecule
Emp. Form.:
C15H14N2O3
Mol. Mass.:
270.2833
SMILES:
Cn1cc(\C=C\C(=O)NO)cc1C(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: