Reaction Details  Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM25160
Substrate
BDBM25143
Meas. Tech.
HDAC Activity Assay
Temperature
298.15±n/a K
IC50
120±n/a nM
Comments
extracted
Citation
 Jones, P; Bottomley, MJ; Carfí, A; Cecchetti, O; Ferrigno, F; Lo Surdo, P; Ontoria, JM; Rowley, M; Scarpelli, R; Schultz-Fademrecht, C; Steinkühler, C 2-Trifluoroacetylthiophenes, a novel series of potent and selective class II histone deacetylase inhibitors. Bioorg Med Chem Lett 18:3456-61 (2008) [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:
BDBM25160
Synonyms:
N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide | thiophene derivative, 3f
Type:
Small organic molecule
Emp. Form.:
C15H12F3NO3S
Mol. Mass.:
343.321
SMILES:
COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)F)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM25143
Synonyms:
Fluor-de-Lys Fluorogenic Deacetylase Substrate | KI-104 (BioMol Research Laboratories)
Type:
Fluorogenic Substrate
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: