BDBM50285457 CHEMBL56247::[(1S,2R)-1-Benzyl-3-((S)-2-tert-butylcarbamoyl-4-thiophen-3-ylmethyl-piperazin-1-yl)-2-hydroxy-propyl]-carbamic acid (2R,3R)-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)CN1CCN(Cc2ccsc2)C[C@H]1C(=O)NC(C)(C)C

InChI Key InChIKey=TUTXAZXTRDKQTM-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50285457   

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

Curated by ChEMBL
LigandPNGBDBM50285457([(1S,2R)-1-Benzyl-3-((S)-2-tert-butylcarbamoyl-4-t...)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of HIV-1 ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article