BDBM50258538 (S)-ethyl 2-((2S,4R)-1-(3-cyanophenylsulfonyl)-4-(cyclobutylamino)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)propanoate::CHEMBL443928

SMILES CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1cccc(c1)C#N)NC1CCC1

InChI Key InChIKey=YNSVZSPFLAGJJY-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 = 50258538   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258538((S)-ethyl 2-((2S,4R)-1-(3-cyanophenylsulfonyl)-4-(...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed