BDBM1031 CHEMBL265514::Hydroxyethylene dipeptide isostere 8::N-[2(R)-Hydroxy-1(S)-indanyl]-5(S)-[[(1,1-dimethylethoxy)carbonyl]amino]-4(S)-hydroxy-6-phenyl-2(R)-(3-phenylprop-2-en-1-y1)hexanamide::tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenyl-5-[(2E)-3-phenylprop-2-en-1-yl]pentan-2-yl]carbamate

SMILES [H][C@@]1(NC(=O)[C@H](C\C=C\c2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](O)Cc2ccccc12

InChI Key InChIKey=MFSVHROQWVRSOF-DNEWMCERSA-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 = 1031   

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

LigandPNGBDBM1031(CHEMBL265514 | Hydroxyethylene dipeptide isostere ...)
Affinity DataIC50:  0.230nMpH: 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
LigandPNGBDBM1031(CHEMBL265514 | Hydroxyethylene dipeptide isostere ...)
Affinity DataIC50:  0.230nMAssay 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
LigandPNGBDBM1031(CHEMBL265514 | Hydroxyethylene dipeptide isostere ...)
Affinity DataIC50:  0.230nMAssay Description:In vitro inhibition of HIV-1 proteaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed