BDBM50074688 2-[2-(3-Hydroxy-2-{4-[6-(3-{2-hydroxy-1-[1-(1-methoxycarbonyl-2-methyl-propylcarbamoyl)-2-methyl-butylcarbamoyl]-propylcarbamoyl}-propoxy)-pyridin-2-yloxy]-butyrylamino}-butyrylamino)-3-methyl-pentanoylamino]-3-methyl-butyric acid methyl ester; Dihydrate::CHEMBL367849

SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)CCCOc1cccc(OCCCC(=O)N[C@@H](C(C)O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)n1)C(C)O)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI Key InChIKey=DWCTXUBENDKFLM-DRLYJEISSA-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 = 50074688   

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

Curated by ChEMBL
LigandPNGBDBM50074688(2-[2-(3-Hydroxy-2-{4-[6-(3-{2-hydroxy-1-[1-(1-meth...)
Affinity DataIC50:  4.20E+3nMAssay Description:The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed