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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 7' and Ligand = 'BDBM50207561'   
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 7


(Homo sapiens (Human))
BDBM50207561
PNG
(CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...)
Show SMILES ONC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H13NO2/c16-14(15-17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,17H,(H,15,16)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal FLAG-tagged HDAC7 (438-915) expressed in baculovirus after 10 mins by fluorimetric analysis


Bioorg Med Chem Lett 19: 5684-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.010
BindingDB Entry DOI: 10.7270/Q2NZ87QH
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50207561
PNG
(CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...)
Show SMILES ONC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H13NO2/c16-14(15-17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,17H,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 650n/an/an/an/an/an/a



Charles River Discovery (previously BioFocus)

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substra...


Bioorg Med Chem Lett 29: 83-88 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.009
BindingDB Entry DOI: 10.7270/Q2G44TJZ
More data for this
Ligand-Target Pair