BDBM525 (3S)-1,1-dioxo--thian-3-yl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::Isoquinoline furanyl urethane analog::Sulfone deriv. 19

SMILES [H][C@@]1(CCCS(=O)(=O)C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C

InChI Key InChIKey=WKVRBPOPJCYCGY-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 525   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM525((3S)-1,1-dioxo--thian-3-yl N-[(2S,3R)-4-[(3S,4aS,8...)
Affinity DataIC50: 1.75E+3nMpH: 5.5 T: 2°CAssay Description:The IC50 values for the compounds were determined using purified HIV-1 Protease. Inhibition of the cleavage of the peptide H-Val-Ser-Gln-Asn-(L-beta-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM525((3S)-1,1-dioxo--thian-3-yl N-[(2S,3R)-4-[(3S,4aS,8...)
Affinity DataIC50: 1.75E+3nMAssay Description:Inhibition of HIV-1 ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article