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BDBM50475558 6-(4-Dimethylaminophenylsulfinyl)Hexanoic Acid Hydroxamide::CHEMBL201710

SMILES: CN(C)c1ccc(cc1)[S+]([O-])CCCCCC(=O)NO

InChI Key: InChIKey=PVBYEEZOWWMUTG-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50475558   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase


(Rattus norvegicus)
BDBM50475558
PNG
(6-(4-Dimethylaminophenylsulfinyl)Hexanoic Acid Hyd...)
Show SMILES CN(C)c1ccc(cc1)[S+]([O-])CCCCCC(=O)NO
Show InChI InChI=1S/C14H22N2O3S/c1-16(2)12-7-9-13(10-8-12)20(19)11-5-3-4-6-14(17)15-18/h7-10,18H,3-6,11H2,1-2H3,(H,15,17)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/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 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50475558
PNG
(6-(4-Dimethylaminophenylsulfinyl)Hexanoic Acid Hyd...)
Show SMILES CN(C)c1ccc(cc1)[S+]([O-])CCCCCC(=O)NO
Show InChI InChI=1S/C14H22N2O3S/c1-16(2)12-7-9-13(10-8-12)20(19)11-5-3-4-6-14(17)15-18/h7-10,18H,3-6,11H2,1-2H3,(H,15,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+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