BDBM8124 Hydroxyethylene Sulfone 18b::N-((1S,2R,4S)-1-(3-bromobenzyl)-4-{[4-(dimethylamino)phenyl]sulfonyl}-2-hydroxy-6-methylheptyl)-2-(2,6-dimethylphenoxy)acetamide::N-[(2S,3R,5S)-1-(3-bromophenyl)-5-{[4-(dimethylamino)benzene]sulfonyl}-3-hydroxy-7-methyloctan-2-yl]-2-(2,6-dimethylphenoxy)acetamide

SMILES CC(C)C[C@@H](C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(cc1)N(C)C

InChI Key InChIKey=CKOGZEIBYRMITE-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 = 8124   

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

LigandPNGBDBM8124(N-((1S,2R,4S)-1-(3-bromobenzyl)-4-{[4-(dimethylami...)
Affinity DataKi:  540nM ΔG°:  -8.54kcal/mole IC50: 790nMpH: 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