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Target
Histone deacetylase 3
Ligand
BDBM50103602
Substrate
n/a
Meas. Tech.
ChEMBL_1484270 (CHEMBL3538486)
IC50
930±n/a nM
Citation
 Fredenhagen, A; Kittelmann, M; Oberer, L; Kuhn, A; Kühnöl, J; Délémonté, T; Aichholz, R; Wang, P; Atadja, P; Shultz, MD Biocatalytic synthesis and structure elucidation of cyclized metabolites of the deacetylase inhibitor panobinostat (LBH589). Drug Metab Dispos 40:1041-50 (2012) [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:
BDBM50103602
Synonyms:
CHEMBL3526396
Type:
Small organic molecule
Emp. Form.:
C21H23N3O2
Mol. Mass.:
349.4262
SMILES:
C[C@@]12Nc3ccccc3[C@]1(O)CCN2Cc1ccc(\C=C\C(N)=O)cc1 |r|
Structure:
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