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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 = 'BDBM50275885'   
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))
BDBM50275885
PNG
(6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C26H29N5O2S/c1-18(32)31-13-10-26(17-31)8-11-30(12-9-26)24-7-5-20(16-28-24)25(33)29-22-15-19(4-6-21(22)27)23-3-2-14-34-23/h2-7,14-16H,8-13,17,27H2,1H3,(H,29,33)
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Article
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in mammalian cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair