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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 = 'BDBM27185'   
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))		BDBM27185
PNG
(triazole-linked clarithromycin-based compound, 24a)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[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)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
Show InChI InChI=1S/C52H85N5O15/c1-14-39-52(10,64)45(61)31(4)42(59)29(2)25-51(9,67-13)47(32(5)44(33(6)48(63)70-39)71-41-26-50(8,66-12)46(62)34(7)69-41)72-49-43(60)38(24-30(3)68-49)56(11)27-35-19-21-36(22-20-35)37-28-57(55-53-37)23-17-15-16-18-40(58)54-65/h19-22,28-34,38-39,41,43-47,49,60-62,64-65H,14-18,23-27H2,1-13H3,(H,54,58)/t29-,30-,31+,32+,33-,34+,38+,39-,41+,43-,44+,45-,46+,47-,49+,50-,51-,52-/m1/s1
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Article
PubMed
n/an/a 3.99E+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