BDBM813 (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-acetamido-3-(quinoline-8-sulfonyl)propanamido]-2-hydroxy-4-phenylbutyl]-decahydroisoquinoline-3-carboxamide::Saquinavir/Nelfinavir deriv. 17

SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(C)=O)[C@@H](C2)C(=O)NC(C)(C)C

InChI Key InChIKey=DHFIBAHBWAOLNZ-AEAWEUCCSA-N

Data  2 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 2 hits for monomerid = 813   

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

LigandPNGBDBM813((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-ace...)
Affinity DataIC50:  1.70nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Eli Lilly

LigandPNGBDBM813((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-ace...)
Affinity DataIC50:  1.70nMpH: 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 DepthDetails