BDBM50073219 CHEMBL116772::{(S)-1-[(1S,2R)-3-((S)-4-Benzo[1,3]dioxol-5-ylmethyl-2-tert-butylcarbamoyl-piperazin-1-yl)-1-benzyl-2-hydroxy-propylcarbamoyl]-2-methyl-propyl}-carbamic acid 2-isopropyl-thiazol-4-ylmethyl ester

SMILES CC(C)[C@H](NC(=O)OCc1csc(n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccc3OCOc3c2)C[C@H]1C(=O)NC(C)(C)C

InChI Key InChIKey=LZAICYPRHBGZTR-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 = 50073219   

TargetCytochrome P450 3A4(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50073219({(S)-1-[(1S,2R)-3-((S)-4-Benzo[1,3]dioxol-5-ylmeth...)
Affinity DataIC50: 9.60E+3nMAssay 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