Reaction Details Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM50102542
Substrate
n/a
Meas. Tech.
ChEMBL_1441431 (CHEMBL3373386)
IC50
14±n/a nM
Citation
 Yang, W; Li, L; Ji, X; Wu, X; Su, M; Sheng, L; Zang, Y; Li, J; Liu, H Design, synthesis and biological evaluation of 4-anilinothieno[2,3-d]pyrimidine-based hydroxamic acid derivatives as novel histone deacetylase inhibitors. Bioorg Med Chem 22:6146-55 (2014) [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:
BDBM50102542
Synonyms:
CHEMBL3339033
Type:
Small organic molecule
Emp. Form.:
C24H30N6O3S
Mol. Mass.:
482.598
SMILES:
ONC(=O)CCCCCCC(=O)Nc1cc2c(Nc3ccc(cc3)N3CCCC3)ncnc2s1
Structure:
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