Reaction Details Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM50361444
Substrate
n/a
Meas. Tech.
ChEMBL_964226 (CHEMBL2395196)
IC50
65±n/a nM
Citation
 Thaler, F; Varasi, M; Abate, A; Carenzi, G; Colombo, A; Bigogno, C; Boggio, R; Zuffo, RD; Rapetti, D; Resconi, A; Regalia, N; Vultaggio, S; Dondio, G; Gagliardi, S; Minucci, S; Mercurio, C Synthesis and biological characterization of spiro[2H-(1,3)-benzoxazine-2,4'-piperidine] based histone deacetylase inhibitors. Eur J Med Chem 64:273-84 (2013) [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:
Homo sapiens (Human)
Description:
O15379
Residue:
428
Sequence:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVINQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVRNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQTIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDNDKESDVEI
  
Inhibitor
Name:
BDBM50361444
Synonyms:
CHEMBL1938433
Type:
Small organic molecule
Emp. Form.:
C23H24N2O4
Mol. Mass.:
392.4477
SMILES:
ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5|
Structure:
Search PDB for entries with ligand similarity: