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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 = 'BDBM27175'   
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))		BDBM27175
PNG
(Azithromycinarylalkylhydroxamic Acid, 8)
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(NC(=O)CCCCCCC(=O)NO)cc2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Show InChI InChI=1S/C52H90N4O15/c1-14-39-52(10,64)45(60)34(6)55(11)28-30(2)26-50(8,63)47(32(4)44(33(5)48(62)69-39)70-42-27-51(9,66-13)46(61)35(7)68-42)71-49-43(59)38(25-31(3)67-49)56(12)29-36-21-23-37(24-22-36)53-40(57)19-17-15-16-18-20-41(58)54-65/h21-24,30-35,38-39,42-47,49,59-61,63-65H,14-20,25-29H2,1-13H3,(H,53,57)(H,54,58)/t30-,31-,32+,33-,34-,35+,38+,39-,42+,43-,44+,45-,46+,47-,49+,50-,51-,52-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.68E+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