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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM25155'   
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 6


(Homo sapiens (Human))
BDBM25155
PNG
(CHEMBL462146 | N-ethyl-5-(2,2,2-trifluoroacetyl)th...)
Show SMILES CCNC(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H8F3NO2S/c1-2-13-8(15)6-4-3-5(16-6)7(14)9(10,11)12/h3-4H,2H2,1H3,(H,13,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Bioorg Med Chem Lett 18: 6083-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.076
BindingDB Entry DOI: 10.7270/Q2TD9X6G
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM25155
PNG
(CHEMBL462146 | N-ethyl-5-(2,2,2-trifluoroacetyl)th...)
Show SMILES CCNC(=O)c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H8F3NO2S/c1-2-13-8(15)6-4-3-5(16-6)7(14)9(10,11)12/h3-4H,2H2,1H3,(H,13,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/a25



IRBM/Merck



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 18: 3456-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.026
BindingDB Entry DOI: 10.7270/Q2MS3R28
More data for this
Ligand-Target Pair