BDBM50109709 (S)-4-Benzo[d]isoxazol-3-ylmethyl-1-[(2S,4R)-2-hydroxy-4-((R)-(R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL359236

SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2noc3ccccc23)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12

InChI Key InChIKey=AUWNLGCUIINJDZ-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 = 50109709   

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

Curated by ChEMBL
LigandPNGBDBM50109709((S)-4-Benzo[d]isoxazol-3-ylmethyl-1-[(2S,4R)-2-hyd...)
Affinity DataIC50: 1.20nMAssay Description:In vitro inhibitory activity against wild type HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50109709((S)-4-Benzo[d]isoxazol-3-ylmethyl-1-[(2S,4R)-2-hyd...)
Affinity DataIC50: 72nMAssay Description:In vitro inhibitory activity against mutant HIV-1 (A-44)proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed