BDBM50073365 (S)-2-(3-{(R)-3-[Cyclopentylmethyl-(4-methoxy-phenylsulfonyl)-amino]-2-hydroxy-propyl}-3-phenethyl-ureido)-3-methyl-butyric acid benzyl ester::CHEMBL124003

SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)CC1CCCC1

InChI Key InChIKey=DMJCWBOVSXFTEC-SHUZPENHSA-N

Data  1 KI

  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 = 50073365   

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

Curated by ChEMBL
LigandPNGBDBM50073365((S)-2-(3-{(R)-3-[Cyclopentylmethyl-(4-methoxy-phen...)
Affinity DataKi:  7nMAssay Description:Binding affinity to HIV-1 protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed