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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50475570'   
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


(Rattus norvegicus)
BDBM50475570
PNG
(6-Benzenesulfinylhexanoic Acid Hydroxamide | CHEMB...)
Show SMILES ONC(=O)CCCCC[S+]([O-])c1ccccc1
Show InChI InChI=1S/C12H17NO3S/c14-12(13-15)9-5-2-6-10-17(16)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver homogenate


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50475570
PNG
(6-Benzenesulfinylhexanoic Acid Hydroxamide | CHEMB...)
Show SMILES ONC(=O)CCCCC[S+]([O-])c1ccccc1
Show InChI InChI=1S/C12H17NO3S/c14-12(13-15)9-5-2-6-10-17(16)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human leukemic CEM cells


J Med Chem 49: 800-5 (2006)


Article DOI: 10.1021/jm051010j
BindingDB Entry DOI: 10.7270/Q2JW8HN9
More data for this
Ligand-Target Pair