BDBM50109713 CHEMBL405134::[1-(3-{(S)-3-tert-Butylcarbamoyl-4-[(2S,4R)-2-hydroxy-4-((R)-(R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazin-1-ylmethyl}-phenyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester

SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccc(c2)C(C)(C)NC(=O)OC(C)(C)C)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12

InChI Key InChIKey=PEKOIAREUJBBRC-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 50109713   

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

Curated by ChEMBL
LigandPNGBDBM50109713([1-(3-{(S)-3-tert-Butylcarbamoyl-4-[(2S,4R)-2-hydr...)
Affinity DataIC50: 392nMAssay Description:In vitro inhibitory activity against mutant HIV-1 (A-44)proteaseMore 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)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50109713([1-(3-{(S)-3-tert-Butylcarbamoyl-4-[(2S,4R)-2-hydr...)
Affinity DataIC50: 28nMAssay Description:In vitro inhibitory activity against wild type HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed