BDBM50285274 CHEMBL307966::{(1S,2R)-1-Benzyl-3-[(S)-2-tert-butylcarbamoyl-4-(2-sec-butyl-pyridin-4-ylmethyl)-piperazin-1-yl]-2-hydroxy-propyl}-carbamic acid (2R,3R)-2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester

SMILES CCC(C)c1cc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@@H](C2)C(=O)NC(C)(C)C)ccn1

InChI Key InChIKey=HJGGEQSINIZGAQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285274   

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

Curated by ChEMBL
LigandPNGBDBM50285274({(1S,2R)-1-Benzyl-3-[(S)-2-tert-butylcarbamoyl-4-(...)
Affinity DataIC50: 1.20nMAssay Description:In vitro inhibitory activity against HIV-1 protease enzyme.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article