BDBM729 (2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(quinolin-2-ylformamido)butanamido]-4-phenylbutyl]-4-(pyridin-4-ylmethoxy)piperidine-2-carboxamide::BILA 2011 BS::CHEMBL13134::Palinavir

SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1

InChI Key InChIKey=RXBWRFDZXRAEJT-SZNOJMITSA-N

Data  4 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 729   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM729((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-...)
Affinity DataKi:  0.0310nM ΔG°:  -14.9kcal/mole IC50:  4nMpH: 5.5 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM729((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-...)
Affinity DataKi:  0.0310nMAssay Description:Binding affinity against HIV-1 protease .Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [514-612](Human immunodeficiency virus type 2)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM729((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-...)
Affinity DataKi:  0.130nM ΔG°:  -14.0kcal/mole IC50:  10nMpH: 5.5 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus B)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM729((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-...)
Affinity DataKi:  0.134nMAssay Description:Binding affinity against HIV-1 protease .Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed