BDBM50014023 2-(2-{3-[2-(2-Acetylamino-3-hydroxy-butyrylamino)-3-methyl-pentanoylamino]-2-oxo-heptylamino}-hexanoylamino)-pentanedioic acid 5-amide 1-[(1-carbamoyl-4-guanidino-butyl)-amide]::CHEMBL2371777

SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O

InChI Key InChIKey=XWZDRSJILVJEEO-UHFFFAOYSA-N

Data  1 KI

  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 = 50014023   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Wisconsin-Madison

Curated by ChEMBL
LigandPNGBDBM50014023(CHEMBL2371777 | 2-(2-{3-[2-(2-Acetylamino-3-hydrox...)
Affinity DataKi:  780nMpH: 6.4Assay Description:Inhibitory activity against HIV Protease was measured at pH 6.4 and 37 degrees CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed