BDBM1039 CHEMBL297620::Hydroxyethylene dipeptide isostere 31::tert-butyl N-[(2S,3S,5R)-5-[(4-tert-butylphenyl)methyl]-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate

SMILES [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)C(C)(C)C)[C@H](O)Cc2ccccc12

InChI Key InChIKey=JBEBAOJLXPMRIO-HXPZKNJNSA-N

Data  3 IC50

  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 3 hits for monomerid = 1039   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM1039(CHEMBL297620 | Hydroxyethylene dipeptide isostere ...)
Affinity DataIC50:  0.270nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM1039(CHEMBL297620 | Hydroxyethylene dipeptide isostere ...)
Affinity DataIC50:  0.170nMAssay Description:Inhibitory activity against HIV-1 protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM1039(CHEMBL297620 | Hydroxyethylene dipeptide isostere ...)
Affinity DataIC50:  0.170nMAssay Description:In vitro inhibition of HIV-1 proteaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed