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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 = 'BDBM50213131'   
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))
BDBM50213131
PNG
((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(phenylami...)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H27N3O5/c26-20(25-29)15-9-3-8-14-19(21(27)23-18-12-6-2-7-13-18)24-22(28)30-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19,29H,3,8-9,14-16H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1
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MMDB

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Similars

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC 1


Bioorg Med Chem Lett 17: 3969-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ
More data for this
Ligand-Target Pair