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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50143891'   
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 3


(Homo sapiens (Human))
BDBM50143891
PNG
(CHEMBL3758735)
Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C18H21N3O3S/c22-17(6-2-1-3-7-18(23)21-24)20-19-13-14-8-10-15(11-9-14)16-5-4-12-25-16/h4-5,8-13,24H,1-3,6-7H2,(H,20,22)(H,21,23)/b19-13+
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Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay


Bioorg Med Chem Lett 26: 1265-71 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.022
BindingDB Entry DOI: 10.7270/Q2H99714
More data for this
Ligand-Target Pair