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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 = 'BDBM119703'   
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))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substrat...


Eur J Med Chem 135: 174-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.013
BindingDB Entry DOI: 10.7270/Q2G44SQS
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM119703
PNG
(US8685992, 27)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccoc2)c([nH]1)C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C29H24N4O3S/c30-24-3-1-2-4-25(24)33-28(35)20-7-5-18(6-8-20)16-31-29(36)27-23(19-9-11-22(34)12-10-19)15-26(32-27)21-13-14-37-17-21/h1-15,17,32,34H,16,30H2,(H,31,36)(H,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 290n/an/an/an/an/a30



Universidad del País Vasco; Ikerschem, S.L.

US Patent


Assay Description
The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...


US Patent US8685992 (2014)


BindingDB Entry DOI: 10.7270/Q2CJ8C4X
More data for this
Ligand-Target Pair