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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 = 'BDBM50213130'   
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))
BDBM50213130
PNG
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-yl...)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C23H25N5O4/c29-20(28-32)13-3-1-2-11-19(27-22(30)18-10-4-5-14-24-18)23(31)26-17-12-6-8-16-9-7-15-25-21(16)17/h4-10,12,14-15,19,32H,1-3,11,13H2,(H,26,31)(H,27,30)(H,28,29)/t19-/m0/s1
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PC cid
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Similars

Article
PubMed
n/an/a 4n/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