Reaction Details Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM50209795
Substrate
n/a
Meas. Tech.
ChEMBL_1634160 (CHEMBL3876952)
IC50
1020±n/a nM
Citation
 Raji, I; Yadudu, F; Janeira, E; Fathi, S; Szymczak, L; Kornacki, JR; Komatsu, K; Li, JD; Mrksich, M; Oyelere, AK Bifunctional conjugates with potent inhibitory activity towards cyclooxygenase and histone deacetylase. Bioorg Med Chem 25:1202-1218 (2017) [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:
BDBM50209795
Synonyms:
CHEMBL3884044
Type:
Small organic molecule
Emp. Form.:
C23H25F3N4O4S
Mol. Mass.:
510.529
SMILES:
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCC(=O)NO)C(F)(F)F
Structure:
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