BDBM1053 Hydroxyethylene dipeptide isostere 42::N-[2(R)-Hydroxy-1(S)-indanyl]-5-(S)-[[(1,1-dimethylethoxy)carbonyl]amino]-4(S)-hydroxy-6-phenyl-2(R )-[[4-(3,3-dimethoxypropyl)phenyl]methyl]hexanamide::tert-butyl N-[(2S,3S,5R)-5-{[4-(3,3-dimethoxypropyl)phenyl]methyl}-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate

SMILES [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(CCC(OC)OC)cc2)[C@H](O)Cc2ccccc12

InChI Key InChIKey=MGHDILCKBXOROX-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 = 1053   

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

LigandPNGBDBM1053(tert-butyl N-[(2S,3S,5R)-5-{[4-(3,3-dimethoxypropy...)
Affinity DataIC50: 0.0800nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/13/2004
Entry Details Article
PubMed