BDBM748 (2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethylphenoxy)acetamido]-2-hydroxy-4-phenylbutyl]-4-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]piperidine-2-carboxamide::Palinavir deriv. 20

SMILES Cc1cc(S[C@@H]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)COc3c(C)cccc3C)[C@@H](C2)C(=O)NC(C)(C)C)nc(C)n1

InChI Key InChIKey=FDYJWNQORWMJFP-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 = 748   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM748((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...)
Affinity DataIC50: 1.5nMpH: 5.5 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2004
Entry Details Article
PubMed