Reaction Details Report a problem with these data
Target
Histone deacetylase 8
Ligand
BDBM50593354
Substrate
n/a
Meas. Tech.
ChEMBL_2208064 (CHEMBL5121013)
IC50
16000±n/a nM
Citation
 Upadhyay, N; Tilekar, K; Safuan, S; Kumar, AP; Schweipert, M; Meyer-Almes, FJ; C S, R Multi-target weapons: diaryl-pyrazoline thiazolidinediones simultaneously targeting VEGFR-2 and HDAC cancer hallmarks. RSC Med Chem 12:1540-1554 (2021) [PubMed] 
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:
Human
Description:
Q9BY41
Residue:
377
Sequence:
MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV
  
Inhibitor
Name:
BDBM50593354
Synonyms:
CHEMBL5192137
Type:
Small organic molecule
Emp. Form.:
C28H20F3N3O4S
Mol. Mass.:
551.536
SMILES:
FC(F)(F)c1ccc(cc1)C1CC(=NN1C(=O)COc1ccc(\C=C2\SC(=O)NC2=O)cc1)c1ccccc1 |c:13|
Structure:
Search PDB for entries with ligand similarity: