BDBM50191465 CHEMBL386205::methyl (2S)-2-[(2R)-2-[(2S)-2-[4-({7-[3-({1-[({1-[2-(tert-butoxy)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}carbamoyl)methyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}carbamoyl)propoxy]naphthalen-2-yl}oxy)butanamido]-3-methylbutanamido]-4-methylpentanamido]-3-methylbutanoate

SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)Nc3ccc(C)n(CC(=O)Nc4ccc(C)n(CC(=O)OC(C)(C)C)c4=O)c3=O)cc2c1)C(C)C)C(C)C

InChI Key InChIKey=CXXYGHFEVXZUNL-FMFUSDIYSA-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 = 50191465   

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

Curated by ChEMBL
LigandPNGBDBM50191465(CHEMBL386205 | methyl (2S)-2-[(2R)-2-[(2S)-2-[4-({...)
Affinity DataKi:  8.40E+3nMAssay Description:Inhibition of wild type HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed