BDBM50082747 3,9-Dibenzyl-1,5,7,11-Tetrahydroxymethyl-6,12-bis(4-methoxyphenyl)-3,9-diazahexacyclo[6.4.0.0e 2.7 .0e 4.11.0e 5.10]dodecane::3,9-Dibenzyl-1,5,7,11-tetrakishydroxymethyl-6,12-bis(4-methoxyphenyl)-3,9-diazahexacyclo[6.4.0.02.7.04.11.05.10]dodecane::CHEMBL142249

SMILES COc1ccc([C@H]2[C@@]3(CO)C4N(Cc5ccccc5)C5[C@]2(CO)C2N(Cc6ccccc6)C3[C@]4(CO)[C@H](c3ccc(OC)cc3)[C@@]52CO)cc1

InChI Key InChIKey=KHINCBPWOGOUFE-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50082747   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50082747BDBM50082747(3,9-Dibenzyl-1,5,7,11-Tetrahydroxymethyl-6,12-bis(...)
Affinity DataIC50: 3.30E+4nMAssay Description:compound was evaluated for the inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed