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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 = 'BDBM27186'   
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))		BDBM27186
PNG
(triazole-linked clarithromycin-based compound, 24b)
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)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
Show InChI InChI=1S/C44H71N5O12/c1-11-34-44(8,56)39(54)27(4)36(51)25(2)22-43(7,58-10)40(28(5)37(52)29(6)41(55)60-34)61-42-38(53)33(21-26(3)59-42)48(9)23-30-16-18-31(19-17-30)32-24-49(47-45-32)20-14-12-13-15-35(50)46-57/h16-19,24-29,33-34,37-40,42,52-54,56-57H,11-15,20-23H2,1-10H3,(H,46,50)/t25-,26-,27+,28+,29-,33+,34-,37+,38-,39-,40-,42+,43-,44-/m1/s1
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Article
PubMed
n/an/a 44.3n/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