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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50293361'   
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


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells using BOC-Ac-Lys-AMC as substrate incubated for 4 hrs by fluorescence assay


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50293361
PNG
(CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 3.26E+4n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa nuclear extract using BOC-Ac-Lys-AMC as substrate incubated for 90 mins by fluorescence assay


Eur J Med Chem 112: 99-105 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5BB0
More data for this
Ligand-Target Pair