Reaction Details  Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM50551231
Substrate
n/a
Meas. Tech.
ChEMBL_2030960 (CHEMBL4685118)
IC50
2209±n/a nM
Citation
 Ojha, R; Nepali, K; Chen, CH; Chuang, KH; Wu, TY; Lin, TE; Hsu, KC; Chao, MW; Lai, MJ; Lin, MH; Huang, HL; Chang, CD; Pan, SL; Chen, MC; Liou, JP Isoindoline scaffold-based dual inhibitors of HDAC6 and HSP90 suppressing the growth of lung cancer in vitro and in vivo. Eur J Med Chem 190:0 (2020) [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:
BDBM50551231
Synonyms:
CHEMBL4798549
Type:
Small organic molecule
Emp. Form.:
C25H31N3O6
Mol. Mass.:
469.5301
SMILES:
CC(C)c1cc(C(=O)N2Cc3ccc(NC(=O)CCCCCC(=O)NO)cc3C2)c(O)cc1O
Structure:
Search PDB for entries with ligand similarity: