Target
Histone deacetylase 3
Ligand
BDBM50141139
Substrate
n/a
Meas. Tech.
ChEMBL_1551264 (CHEMBL3762115)
IC50
30±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:
Homo sapiens (Human)
Description:
O15379
Residue:
428
Sequence:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVINQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVRNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQTIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDNDKESDVEI
  
Inhibitor
Name:
BDBM50141139
Synonyms:
CHEMBL3759808
Type:
Small organic molecule
Emp. Form.:
C24H26N2O4
Mol. Mass.:
406.4742
SMILES:
ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccccc1)CC3
Structure:
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