Target
Histone deacetylase 3
Ligand
BDBM50435606
Substrate
n/a
Meas. Tech.
ChEMBL_1552953 (CHEMBL3760237)
IC50
130±n/a nM
Citation
 Thaler, FMoretti, LAmici, RAbate, AColombo, ACarenzi, GFulco, MCBoggio, RDondio, GGagliardi, SMinucci, SSartori, LVarasi, MMercurio, C Synthesis, biological characterization and molecular modeling insights of spirochromanes as potent HDAC inhibitors. Eur J Med Chem 108:53-67 (2016) [PubMed]  Article 
Target
Name:
Histone deacetylase 3
Synonyms:
HD3 | HDAC3 | HDAC3_HUMAN | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45
Type:
Enzyme
Mol. Mass.:
48829.55
Organism:
Human
Description:
O15379
Residue:
428
Sequence:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVINQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVRNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQTIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDNDKESDVEI
  
Inhibitor
Name:
BDBM50435606
Synonyms:
CHEMBL2390996
Type:
Small organic molecule
Emp. Form.:
C24H26N2O4
Mol. Mass.:
406.4742
SMILES:
ONC(=O)C=Cc1ccc2OC3(CCN(CCc4ccccc4)CC3)CC(=O)c2c1 |w:5.5|
Structure:
Search PDB for entries with ligand similarity: