BDBM8121 (2R)-N-[(2S,3R,5S)-1-(3-bromophenyl)-7-(2,4-dichlorophenyl)-5-[(4-fluorobenzene)sulfonyl]-3-hydroxyheptan-2-yl]oxolane-2-carboxamide::(2R)-N-{(1S,2R,4S)-1-(3-bromobenzyl)-6-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)sulfonyl]-2-hydroxyhexyl}tetrahydrofuran-2-carboxamide::Hydroxyethylene Sulfone 17e

SMILES O[C@H](C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CCCO1

InChI Key InChIKey=LYWBGGSQPWBNEU-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 = 8121   

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

LigandPNGBDBM8121((2R)-N-{(1S,2R,4S)-1-(3-bromobenzyl)-6-(2,4-dichlo...)
Affinity DataKi:  2.90E+3nM ΔG°:  -7.55kcal/mole IC50: 4.20E+3nMpH: 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