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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 = 'BDBM50032269'   
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))
BDBM50032269
PNG
(CHEMBL3352992)
Show SMILES CC(C)[C@H]1NC(=O)C[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O)\C=C\CCCC(O)=O |r|
Show InChI InChI=1/C28H37N5O6/c1-16(2)25-28(39)30-17(3)26(37)32-22(13-18-15-29-21-11-8-7-10-20(18)21)27(38)31-19(14-23(34)33-25)9-5-4-6-12-24(35)36/h5,7-11,15-17,19,22,25,29H,4,6,12-14H2,1-3H3,(H,30,39)(H,31,38)(H,32,37)(H,33,34)(H,35,36)/b9-5+/t17-,19-,22-,25-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)


Article DOI: 10.1021/jm501399d
BindingDB Entry DOI: 10.7270/Q2FJ2JCG
More data for this
Ligand-Target Pair