BDBM50285973 CHEMBL261340::[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid (2S,3S)-2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester::[1-Benzyl-3-(3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid 2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester

SMILES CC(C)[C@H]1[C@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C

InChI Key InChIKey=DYRQCFKJNPXYSL-QXWHLYFESA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285973   

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

LigandPNGBDBM50285973(CHEMBL261340 | [(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3...)
Affinity DataIC50:  8.10nMAssay Description:In vitro inhibition of HIV-1 protease.More data for this Ligand-Target Pair
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