BDBM8116 Hydroxyethylene Sulfone 17a::N-[(2S,3R,5S)-1-(3-bromophenyl)-3-hydroxy-5-[(3-methylbutane)sulfonyl]hexan-2-yl]-3-methanesulfonylpropanamide::N-{(1S,2R,4S)-1-(3-bromobenzyl)-2-hydroxy-4-[(3-methylbutyl)sulfonyl]pentyl}-3-(methylsulfonyl)propanamide

SMILES CC(C)CCS(=O)(=O)[C@@H](C)C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)CCS(C)(=O)=O

InChI Key InChIKey=DJJYLFLWPPDFRQ-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 = 8116   

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

LigandPNGBDBM8116(N-{(1S,2R,4S)-1-(3-bromobenzyl)-2-hydroxy-4-[(3-me...)
Affinity DataKi: >4.00E+4nM ΔG°: >-6.00kcal/mole IC50: 4.00E+4nMpH: 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