Reaction Details Report a problem with these data
Target
Histone deacetylase 8
Ligand
BDBM50229192
Substrate
n/a
Meas. Tech.
ChEMBL_461762 (CHEMBL927768)
IC50
>50000±n/a nM
Citation
 Witter, DJ; Harrington, P; Wilson, KJ; Chenard, M; Fleming, JC; Haines, B; Kral, AM; Secrist, JP; Miller, TA Optimization of biaryl Selective HDAC1&2 Inhibitors (SHI-1:2). Bioorg Med Chem Lett 18:726-31 (2008) [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:
BDBM50229192
Synonyms:
CHEMBL398420 | US9096559, 14f | US9096559, 9 | [4-(4-amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C22H21N3O3
Mol. Mass.:
375.4204
SMILES:
COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: