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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 = 'BDBM50181046'   
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))
BDBM50181046
PNG
(CHEMBL3819616)
Show SMILES Cc1noc(C)c1-c1cc(OCCCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H28N2O5/c1-17-24(18(2)32-27-17)20-14-21(25(29)19-10-6-5-7-11-19)16-22(15-20)31-13-9-4-3-8-12-23(28)26-30/h5-7,10-11,14-16,30H,3-4,8-9,12-13H2,1-2H3,(H,26,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.43E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay


Bioorg Med Chem Lett 26: 2931-2935 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V
More data for this
Ligand-Target Pair