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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM27178'   
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 8


(Homo sapiens (Human))		BDBM27178
PNG
(6-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,1...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C44H74N6O11/c1-11-35-44(8,57)39(54)30(6)48(9)23-26(2)22-43(7,56)40(28(4)37(52)29(5)41(55)60-35)61-42-38(53)34(21-27(3)59-42)49(10)24-31-16-18-32(19-17-31)33-25-50(47-45-33)20-14-12-13-15-36(51)46-58/h16-19,25-30,34-35,37-40,42,52-54,56-58H,11-15,20-24H2,1-10H3,(H,46,51)/t26-,27-,28+,29-,30-,34+,35-,37+,38-,39-,40-,42+,43-,44-/m1/s1
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MMDB

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Similars
Article
PubMed
n/an/a 3.74E+3n/an/an/an/a8.037



Georgia Institute of Technology



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...

J Med Chem 52: 456-68 (2009)


Article DOI: 10.1021/jm801128g
BindingDB Entry DOI: 10.7270/Q2542KXF
More data for this
Ligand-Target Pair