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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50164658'   
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))
BDBM50164658
PNG
(CHEMBL3798268)
Show SMILES CN(C)c1cccc(c1)C(=O)NO
Show InChI InChI=1S/C9H12N2O2/c1-11(2)8-5-3-4-7(6-8)9(12)10-13/h3-6,13H,1-2H3,(H,10,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Schistosoma mansoni)
BDBM50164658
PNG
(CHEMBL3798268)
Show SMILES CN(C)c1cccc(c1)C(=O)NO
Show InChI InChI=1S/C9H12N2O2/c1-11(2)8-5-3-4-7(6-8)9(12)10-13/h3-6,13H,1-2H3,(H,10,12)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...


J Med Chem 59: 2423-35 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01478
BindingDB Entry DOI: 10.7270/Q28054HC
More data for this
Ligand-Target Pair