Reaction Details Report a problem with these data
Target
Histone deacetylase 8
Ligand
BDBM50602203
Substrate
n/a
Meas. Tech.
ChEMBL_2239669 (CHEMBL5153565)
IC50
8.2±n/a nM
Citation
 Sun, P; Wang, J; Khan, KS; Yang, W; Ng, BW; Ilment, N; Zessin, M; Bülbül, EF; Robaa, D; Erdmann, F; Schmidt, M; Romier, C; Schutkowski, M; Cheng, AS; Sippl, W Development of Alkylated Hydrazides as Highly Potent and Selective Class I Histone Deacetylase Inhibitors with T cell Modulatory Properties. J Med Chem 65:16313-16337 (2022) [PubMed] 
Target
Name:
Histone deacetylase 8
Synonyms:
HD8 | Histone deacetylase 8 (HDAC-8) | Human HDAC8 | HDAC8_HUMAN | HDAC8 | HDACL1
Type:
Enzyme
Mol. Mass.:
41749.60
Organism:
Human
Description:
Q9BY41
Residue:
377
Sequence:
MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV
  
Inhibitor
Name:
BDBM50602203
Synonyms:
CHEMBL5171086
Type:
Small organic molecule
Emp. Form.:
C21H27N7O
Mol. Mass.:
393.50
SMILES:
CCCNNC(=O)c1cnc(nc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
Structure:
Search PDB for entries with ligand similarity: