BDBM50121730 CHEMBL366433::{1-[(S)-3-{N-Benzyl-N'-[2-(2,6-dimethyl-phenoxy)-acetyl]-hydrazino}-2-hydroxy-3-oxo-1-((S)-phenylmethyl)-propylcarbamoyl]-2-methylsulfanyl-ethyl}-carbamic acid isoquinolin-5-ylmethyl ester

SMILES CSC[C@H](NC(=O)OCc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)COc1c(C)cccc1C

InChI Key InChIKey=YGNMRRZJWHABRJ-LYDQXETESA-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 = 50121730   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50121730(CHEMBL366433 | {1-[(S)-3-{N-Benzyl-N'-[2-(2,6-dime...)
Affinity DataKi:  0.25nMAssay Description:Inhibitory activity of the compound against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed