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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM27774'   
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 1


(Homo sapiens (Human))
BDBM27774
PNG
(N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1
Show InChI InChI=1S/C26H30N4OS/c27-22-9-8-21(24-3-1-16-32-24)17-23(22)29-25(31)20-6-4-19(5-7-20)18-30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,18,27H2,(H,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair