BDBM27179 triazole-linked azithromycin-based compound, 16c

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(CCCCCCC(=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=YHRLBNOQGFVSSK-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 27179   

TargetHistone deacetylase 1(Human)
Georgia Institute of Technology

LigandPNGBDBM27179(triazole-linked azithromycin-based compound, 16c)
Affinity DataIC50: 13.9nMpH: 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

LigandPNGBDBM27179(triazole-linked azithromycin-based compound, 16c)
Affinity DataIC50: 994nMpH: 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(Plasmodium falciparum (isolate 3D7))
Dipartimento Di Chimica E Tecnologie Del Farmaco "Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM27179(triazole-linked azithromycin-based compound, 16c)
Affinity DataIC50: 29nMAssay Description:Inhibition of recombinant Plasmodium falciparum HDAC1 using HDAC substrate-3 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed