BDBM3414 (2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide::LY289612

SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1

InChI Key InChIKey=RHADMHOBZRGRTJ-UHFFFAOYSA-N

Data  2 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 3414   

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

Curated by ChEMBL
LigandPNGBDBM3414((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...)
Affinity DataIC50: 1.5nMAssay Description:Concentration required for in vitro inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article

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

Curated by ChEMBL
LigandPNGBDBM3414((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...)
Affinity DataIC50: 1.5nMAssay Description:Concentration required for in vitro inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article

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

Curated by ChEMBL
LigandPNGBDBM3414((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...)
Affinity DataIC50: 1.40nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article

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

Curated by ChEMBL
LigandPNGBDBM3414((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...)
Affinity DataIC50: 1.5nMAssay Description:Inhibitory activity against human immunodeficiency virus protease (HIVP) using protease inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article

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

Curated by ChEMBL
LigandPNGBDBM3414((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...)
Affinity DataIC50: 2.30nMAssay Description:Compound was tested for inhibitory activity against isolated HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2020
Entry Details Article

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

LigandPNGBDBM3414((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...)
Affinity DataKi:  1.60nM ΔG°:  -12.5kcal/molepH: 5.6 T: 2°CAssay Description:Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2005
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Agouron Pharmaceuticals

LigandPNGBDBM3414((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...)
Affinity DataKi:  2nM ΔG°:  -12.3kcal/molepH: 5.6 T: 2°CAssay Description:Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2006
Entry Details Article
PubMed