BDBM728 (3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-3-oxo-4-(1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::Pyrrolinone deriv. 9::Pyrrolinone inhibitor 9::Tetrahydroisoquinolyl Inhibitor::monopyrrolinone-based inhibitor (+)-3::monopyrrolinone-based inhibitor 3

SMILES O[C@@H](C[C@]1(Cc2ccccc2)N=CC(C2CNC(=O)c3ccccc23)C1=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1

InChI Key InChIKey=RROHLUJAQRVJPX-GHJDJLJMSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 728   

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

LigandPNGBDBM728((3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-3-oxo...)
Affinity DataIC50:  5.70nMpH: 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
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
University of Pennsylvania

LigandPNGBDBM728((3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-3-oxo...)
Affinity DataIC50:  5.70nMpH: 5.5 T: 2°CAssay Description:All enzyme assays were performed under initial velocity and steady-state conditions. The conditions for the enzyme catalyzed hydrolysis of the cleava...More data for this Ligand-Target Pair