Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase 3
LigandBDBM50248476
Substrate/Competitorn/a
Meas. Tech.ChEMBL_769059
Ki 12±n/a nM
Citation Wang HYu NChen DLee KCLye PLChang JWDeng WNg MCLu TKhoo MLPoulsen ASangthongpitag KWu XHu CGoh KCWang XFang LGoh KLKhng HHGoh SKYeo PLiu XBonday ZWood JMDymock BWKantharaj ESun ET Discovery of (2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide (SB939), an orally active histone deacetylase inhibitor with a superior preclinical profile. J Med Chem 54:4694-720 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone deacetylase 3
Name:Histone deacetylase 1/2/3
Synonyms:HD3 | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45
Type:Enzyme
Mol. Mass.:48829.55
Organism:Homo sapiens (Human)
Description:n/a
Residue:428
Sequence:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCR
FHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNN
KICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEA
FYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVI
NQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTV
RNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQ
TIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDN
DKESDVEI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50248476
n/a
NameBDBM50248476
Synonyms:CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrrolidin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)acrylamide | N-hydroxy-3-[2-phenethyl-1-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-5-yl]acrylamide | SB-639 | US10201527, Compound 72 | US8551988, 72
TypeSmall organic molecule
Emp. Form.C24H28N4O2
Mol. Mass.404.5047
SMILESONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: