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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50005732'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50005732
PNG
(CHEMBL3235787)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C=C\C(=O)NO)cc1 |TLB:11:12:10.9.15:16,THB:11:10:12.17.13:16,13:12:9:15.14.16,13:14:11.12.17:9|
Show InChI InChI=1S/C28H31NO3/c1-32-26-11-10-24(23-8-6-19(7-9-23)4-2-3-5-27(30)29-31)15-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-11,15,20-22,31H,12-14,16-18H2,1H3,(H,29,30)/b4-2+,5-3+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair