BDBM8531 monopyrrolinone-based inhibitor (+)-18::monopyrrolinone-based inhibitor 18::tert-butyl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(3R)-3-(carbamoylmethyl)-2,3-dihydro-1H-inden-1-yl]-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2C[C@H](CC(N)=O)c3ccccc23)C1=O

InChI Key InChIKey=HZYSTKYJZVRFHJ-UHFFFAOYSA-N

Data  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 = 8531   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Pennsylvania

LigandPNGBDBM8531(tert-butyl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(3R)-3-(...)
Affinity DataIC50: 20.5nMpH: 5.5 T: 2°CAssay Description:The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2006
Entry Details Article
PubMed