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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 = 'BDBM27181'   
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))		BDBM27181
PNG
(triazole-linked azithromycin-based compound, 16e)
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(CCCCCCCC(=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/C54H92N6O14/c1-14-42-54(10,67)47(63)36(6)58(11)29-32(2)27-52(8,66)49(34(4)46(35(5)50(65)72-42)73-44-28-53(9,69-13)48(64)37(7)71-44)74-51-45(62)41(26-33(3)70-51)59(12)30-38-21-23-39(24-22-38)40-31-60(57-55-40)25-19-17-15-16-18-20-43(61)56-68/h21-24,31-37,41-42,44-49,51,62-64,66-68H,14-20,25-30H2,1-13H3,(H,56,61)/t32-,33-,34+,35-,36-,37+,41+,42-,44+,45-,46+,47-,48+,49-,51+,52-,53-,54-/m1/s1
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Article
PubMed
n/an/a 7.13E+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