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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 = 'BDBM27188'   
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))		BDBM27188
PNG
(triazole-linked clarithromycin-based compound, 24d)
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(CCCCCCC(=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/C45H73N5O12/c1-11-35-45(8,57)40(55)28(4)37(52)26(2)23-44(7,59-10)41(29(5)38(53)30(6)42(56)61-35)62-43-39(54)34(22-27(3)60-43)49(9)24-31-17-19-32(20-18-31)33-25-50(48-46-33)21-15-13-12-14-16-36(51)47-58/h17-20,25-30,34-35,38-41,43,53-55,57-58H,11-16,21-24H2,1-10H3,(H,47,51)/t26-,27-,28+,29+,30-,34+,35-,38+,39-,40-,41-,43+,44-,45-/m1/s1
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Article
PubMed
n/an/a 1.90n/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