BDBM50073225 ((S)-1-{(1S,2R)-1-Benzyl-3-[(S)-2-tert-butylcarbamoyl-4-(3,4-dimethoxy-benzyl)-piperazin-1-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-carbamic acid 2-methyl-thiazol-4-ylmethyl ester::CHEMBL442398

SMILES COc1ccc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3csc(C)n3)C(C)C)[C@@H](C2)C(=O)NC(C)(C)C)cc1OC

InChI Key InChIKey=WPQGTFWRUQZWSD-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50073225   

TargetCytochrome P450 3A4(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50073225(((S)-1-{(1S,2R)-1-Benzyl-3-[(S)-2-tert-butylcarbam...)
Affinity DataIC50: 1.20E+5nMAssay Description:Antiviral activity as inhibition of human liver microsomal Cytochrome P450 3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed