BDBM8123 Hydroxyethylene Sulfone 18a::N-((1S,2R,4S)-1-(3-bromobenzyl)-2-hydroxy-6-methyl-4-{[4-(methylamino)phenyl]sulfonyl}heptyl)-2-(2,6-dimethylphenoxy)acetamide::N-[(2S,3R,5S)-1-(3-bromophenyl)-3-hydroxy-7-methyl-5-{[4-(methylamino)benzene]sulfonyl}octan-2-yl]-2-(2,6-dimethylphenoxy)acetamide

SMILES CNc1ccc(cc1)S(=O)(=O)[C@@H](CC(C)C)C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C

InChI Key InChIKey=ZIUYNDNWGWCFJI-UHFFFAOYSA-N

Data  1 KI  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 = 8123   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Philipps-Universitat Marburg

LigandPNGBDBM8123(N-[(2S,3R,5S)-1-(3-bromophenyl)-3-hydroxy-7-methyl...)
Affinity DataKi:  370nM ΔG°:  -8.77kcal/mole IC50: 530nMpH: 5.5 T: 2°CAssay Description:The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2006
Entry Details Article
PubMed