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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50475556'   
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)
BDBM50475556
PNG
(6-(4-Chlorophenylsulfanyl)Hexanoic Acid Hydroxamid...)
Show SMILES ONC(=O)CCCCCSc1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClNO2S/c13-10-5-7-11(8-6-10)17-9-3-1-2-4-12(15)14-16/h5-8,16H,1-4,9H2,(H,14,15)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/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))
BDBM50475556
PNG
(6-(4-Chlorophenylsulfanyl)Hexanoic Acid Hydroxamid...)
Show SMILES ONC(=O)CCCCCSc1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClNO2S/c13-10-5-7-11(8-6-10)17-9-3-1-2-4-12(15)14-16/h5-8,16H,1-4,9H2,(H,14,15)
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>2.50E+4n/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