Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase 3
LigandBDBM50256975
Substrate/Competitorn/a
Meas. Tech.ChEMBL_695075 (CHEMBL1640692)
IC50 620±n/a nM
Citation Mahboobi, SSellmer, AWinkler, MEichhorn, EPongratz, HCiossek, TBaer, TMaier, TBeckers, T Novel chimeric histone deacetylase inhibitors: a series of lapatinib hybrides as potent inhibitors of epidermal growth factor receptor (EGFR), human epidermal growth factor receptor 2 (HER2), and histone deacetylase activity. J Med Chem53:8546-55 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone deacetylase 3
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:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCR
FHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNN
KICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEA
FYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVI
NQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTV
RNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQ
TIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDN
DKESDVEI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50256975
n/a
NameBDBM50256975
Synonyms:(4-(2-aminophenylcarbamoyl)benzylamino)methyl nicotinate | CHEMBL514671
TypeSmall organic molecule
Emp. Form.C21H20N4O3
Mol. Mass.376.4085
SMILESNc1ccccc1NC(=O)c1ccc(CNCOC(=O)c2cccnc2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: