BDBM822 (3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-2-hydroxy-3-[(2S)-3-(naphthalene-2-sulfonyl)-2-(2,2,2-trifluoroacetamido)propanamido]-4-(phenylsulfanyl)butyl]-octahydrothieno[3,2-c]pyridine-6-carboxamide::Saquinavir/Nelfinavir deriv. 26

SMILES [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C

InChI Key InChIKey=HJFZZDLQFWVWFW-UHFFFAOYSA-N

Data  2 IC50

  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 = 822   

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

LigandPNGBDBM822((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-2-hydroxy-3-[...)
Affinity DataIC50: 1.80nMpH: 5.5 T: 2°CAssay Description:The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2004
Entry Details

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Eli Lilly

LigandPNGBDBM822((3aR,6S,7aS)-N-tert-butyl-5-[(2R,3R)-2-hydroxy-3-[...)
Affinity DataIC50: 1.80nMAssay Description:The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2004
Entry Details