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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50232364'   
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 2


(Homo sapiens (Human))
BDBM50232364
PNG
(CHEMBL4086671)
Show SMILES CN(C)C(=O)c1cn(Cc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H21N3O3/c1-23(2)21(26)18-14-24(19-6-4-3-5-17(18)19)13-16-9-7-15(8-10-16)11-12-20(25)22-27/h3-12,14,27H,13H2,1-2H3,(H,22,25)/b12-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 expressed in insect cells using RHKK(Ac) as substrate after 60 mins by fluori...


Eur J Med Chem 127: 115-127 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.039
BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair