BDBM50178815 ((1S)-1-{N'-(4-Bromo-benzyl)-N'-[(2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-hydrazinocarbonyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester::3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE::CHEMBL197500::Methyl(S)-1-(((S)-2-benzyl-2-hydroxy-3-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-ylamino)-3-oxopropyl)(4-bromobenzyl)amino)-3,3-dimethyl-1-oxobutan-2-ylcarbamate::{(1S)-1-[N'-(4-bromo-benzyl)-N'-[(2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester

SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(Br)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C

InChI Key InChIKey=JTIFBCHFPVQSEH-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50178815   

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

Curated by ChEMBL
LigandPNGBDBM50178815(((1S)-1-{N'-(4-Bromo-benzyl)-N'-[(2S)-2-hydroxy-2-...)
Affinity DataKi:  2.40nMAssay Description:Inhibitory activity against HIV1 protease expressed in Escherichia coli in a fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50178815(((1S)-1-{N'-(4-Bromo-benzyl)-N'-[(2S)-2-hydroxy-2-...)
Affinity DataKi:  2.40nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50178815(((1S)-1-{N'-(4-Bromo-benzyl)-N'-[(2S)-2-hydroxy-2-...)
Affinity DataKi: >5.00E+3nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed