BDBM4215 AHPBA 1a::benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate

SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1

InChI Key InChIKey=XCVUOCMQYKSJJR-IGRGDXOOSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 4215   

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

Curated by ChEMBL
LigandPNGBDBM4215(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Affinity DataKi:  4nMAssay Description:Binding affinity against HIV Protease enzyme.(by Dixon analysis)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Sankyo

LigandPNGBDBM4215(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Affinity DataKi:  57.5nM ΔG°:  -10.3kcal/molepH: 4.7 T: 2°CAssay Description:The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM4215(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Affinity DataIC50:  7.40nMAssay Description:Inhibitory activity of the Compound was tested against HIV protease enzyme.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM4215(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Affinity DataIC50:  7.40nMAssay Description:Inhibitory potency against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed