Reaction Details Report a problem with these data
Target
Histone deacetylase 8
Ligand
BDBM50356641
Substrate
n/a
Meas. Tech.
ChEMBL_785887 (CHEMBL1921156)
IC50
487±n/a nM
Citation
 Neelarapu, R; Holzle, DL; Velaparthi, S; Bai, H; Brunsteiner, M; Blond, SY; Petukhov, PA Design, synthesis, docking, and biological evaluation of novel diazide-containing isoxazole- and pyrazole-based histone deacetylase probes. J Med Chem 54:4350-64 (2011) [PubMed]  Article 
Target
Name:
Histone deacetylase 8
Synonyms:
HD8 | HDAC8 | HDAC8_HUMAN | HDACL1 | Histone deacetylase 8 (HDAC-8) | Human HDAC8
Type:
Enzyme
Mol. Mass.:
41749.60
Organism:
Homo sapiens (Human)
Description:
Q9BY41
Residue:
377
Sequence:
MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV
  
Inhibitor
Name:
BDBM50356641
Synonyms:
CHEMBL1914707
Type:
Small organic molecule
Emp. Form.:
C26H29N11O4
Mol. Mass.:
559.5798
SMILES:
ONC(=O)CCCCCCC(=O)Nc1cnn(Cc2ccc(NC(=O)c3cc(CN=[N+]=[N-])cc(c3)N=[N+]=[N-])cc2)c1
Structure:
Search PDB for entries with ligand similarity: