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Target
Histone deacetylase 3
Ligand
BDBM50435604
Substrate
n/a
Meas. Tech.
ChEMBL_1552953 (CHEMBL3760237)
IC50
92±n/a nM
Citation
 Thaler, F; Moretti, L; Amici, R; Abate, A; Colombo, A; Carenzi, G; Fulco, MC; Boggio, R; Dondio, G; Gagliardi, S; Minucci, S; Sartori, L; Varasi, M; Mercurio, 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:
Homo sapiens (Human)
Description:
O15379
Residue:
428
Sequence:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVINQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVRNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQTIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDNDKESDVEI
  
Inhibitor
Name:
BDBM50435604
Synonyms:
CHEMBL2390995
Type:
Small organic molecule
Emp. Form.:
C23H23FN2O4
Mol. Mass.:
410.4381
SMILES:
ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccc(F)cc4)CC3)CC(=O)c2c1 |w:5.5|
Structure:
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