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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 = 'BDBM50044641'   
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))
BDBM50044641
PNG
(CHEMBL3311465)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C17H23N3O4/c21-15(5-3-1-2-4-6-17(23)20-24)18-13-8-9-14-12(11-13)7-10-16(22)19-14/h8-9,11,24H,1-7,10H2,(H,18,21)(H,19,22)(H,20,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)


Article DOI: 10.1016/j.bmc.2014.05.001
BindingDB Entry DOI: 10.7270/Q24T6M0V
More data for this
Ligand-Target Pair