Reaction Details Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM124200
Substrate
n/a
Meas. Tech.
In Vitro Assay
Temperature
310.15±n/a K
IC50
62±n/a nM
Comments
extracted
Citation
 Shuttleworth, SJ; Tomassi, CD Scriptaid isosteres and their use in therapy US Patent  US8748458 Publication Date 6/10/2014 
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:
BDBM124200
Synonyms:
US8748458, 4
Type:
Small organic molecule
Emp. Form.:
C21H24N4O2
Mol. Mass.:
364.4409
SMILES:
ONC(=O)CCCCCCN(c1ccccn1)c1ccc2ccccc2n1
Structure:
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