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BDBM50484357 CHEMBL1909951

SMILES: ONC(=O)CCCC1CCN(CC1)S(=O)(=O)c1ccccc1Cl

InChI Key: InChIKey=XUNUNGRNKHMOHY-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484357   
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


(Homo sapiens (Human))
BDBM50484357
PNG
(CHEMBL1909951)
Show SMILES ONC(=O)CCCC1CCN(CC1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H21ClN2O4S/c16-13-5-1-2-6-14(13)23(21,22)18-10-8-12(9-11-18)4-3-7-15(19)17-20/h1-2,5-6,12,20H,3-4,7-11H2,(H,17,19)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 173n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry


Bioorg Med Chem Lett 21: 6767-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44T34
More data for this
Ligand-Target Pair