BDBM524 (3S)-1,1-dioxo--thiolan-3-yl N-[(2S,3R)-4-[(3S,4aS,7aS)-3-(tert-butylcarbamoyl)-octahydro-1H-cyclopenta[c]pyridin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::Isoquinoline furanyl urethane analog::Sulfone deriv. 18

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

InChI Key InChIKey=MHLNARDQQWONOV-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 = 524   

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

LigandPNGBDBM524(Isoquinoline furanyl urethane analog | (3S)-1,1-di...)
Affinity DataIC50: 11.3nMpH: 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