BDBM50073218 ((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-ethyl-thiazol-5-ylmethyl ester::CHEMBL331186

SMILES CCc1ncc(COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3ccc(OC)c(OC)c3)C[C@H]2C(=O)NC(C)(C)C)s1

InChI Key InChIKey=OTDBMSDSGGUFDP-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 = 50073218   

TargetCytochrome P450 3A4(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50073218(((S)-1-{(1S,2R)-1-Benzyl-3-[(S)-2-tert-butylcarbam...)
Affinity DataIC50: 3.50E+4nMAssay 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