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Target
Histone deacetylase 3
Ligand
BDBM50143887
Substrate
n/a
Meas. Tech.
ChEMBL_1551212 (CHEMBL3761793)
IC50
0.800000±n/a nM
Citation
 Ghosh, B; Zhao, WN; Reis, SA; Patnaik, D; Fass, DM; Tsai, LH; Mazitschek, R; Haggarty, SJ Dissecting structure-activity-relationships of crebinostat: Brain penetrant HDAC inhibitors for neuroepigenetic regulation. Bioorg Med Chem Lett 26:1265-71 (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:
BDBM50143887
Synonyms:
CHEMBL3759794
Type:
Small organic molecule
Emp. Form.:
C19H22N4O3
Mol. Mass.:
354.403
SMILES:
ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cccnc1
Structure:
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