BDBM50009246 (S)-2-((S)-2-Acetylamino-3-hydroxy-propionylamino)-pentanedioic acid 5-amide 1-[((S)-1-{(1S,2S)-1-benzyl-3-[(S)-1-((S)-1-carbamoyl-2-methyl-propylcarbamoyl)-2-methyl-propylcarbamoyl]-2-hydroxy-propylcarbamoyl}-2-carbamoyl-ethyl)-amide]::1N-[1-[1-benzyl-3-[1-[1-carbamoyl-2-methyl-(1S)-propylcarbamoyl]-2-methyl-(1S)-propylcarbamoyl]-2-hydroxy-(1S,2S)-propylcarbamoyl]-2-carbamoyl-(1S)-ethyl]-2-[2-hydroxy-1-methylcarboxamido-(1S)-ethylcarboxamido]-(2S)-pentanediamide::CHEMBL297576

SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(N)=O

InChI Key InChIKey=CTTPVWDRGFVKIF-XOTAGTGESA-N

Data  2 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 2 hits for monomerid = 50009246   

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

Curated by ChEMBL
LigandPNGBDBM50009246((S)-2-((S)-2-Acetylamino-3-hydroxy-propionylamino)...)
Affinity DataKi:  3.89E+4nMAssay Description:Binding affinity to HIV-1 proteaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50009246((S)-2-((S)-2-Acetylamino-3-hydroxy-propionylamino)...)
Affinity DataKi:  3.90E+4nMAssay Description:Binding affinity for HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed