BDBM27182 8-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl](methyl)amino}methyl)phenyl]-1H-1,2,3-triazol-1-yl}-N-hydroxyoctanamide::triazole-linked azithromycin-based compound, 16f

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(CCCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O

InChI Key InChIKey=PZRNFCUOQPZHIA-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 27182   

TargetHistone deacetylase 1(Human)
Georgia Institute of Technology

LigandPNGBDBM27182(8-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,1...)
Affinity DataIC50: 72.4nMpH: 8.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2009
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Georgia Institute of Technology

LigandPNGBDBM27182(8-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,1...)
Affinity DataIC50: 6.78E+3nMpH: 8.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2009
Entry Details Article
PubMed