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Target
Histone deacetylase 3
Ligand
BDBM50320746
Substrate
n/a
Meas. Tech.
ChEMBL_639021 (CHEMBL1166159)
IC50
508000±n/a nM
Citation
 Lamblin, M; Dabbas, B; Spingarn, R; Mendoza-Sanchez, R; Wang, TT; An, BS; Huang, DC; Kremer, R; White, JH; Gleason, JL Vitamin D receptor agonist/histone deacetylase inhibitor molecular hybrids. Bioorg Med Chem 18:4119-37 (2010) [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:
BDBM50320746
Synonyms:
CHEMBL1165164 | N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)hexyl)benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C30H45NO4S
Mol. Mass.:
515.748
SMILES:
[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]S(=O)(=O)c1ccccc1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|
Structure:
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