BDBM50150993 4-[2-(4,4-Difluoro-2-{[(S)-(R)-1-(2-isobutoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-butyrylamino)-ethyl]-3,5-difluoro-benzoic acid::CHEMBL185139

SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)C(NC(=O)OCC(C)C)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1ccccc1

InChI Key InChIKey=LTOLYTAOZVUFID-UHFFFAOYSA-N

Data  1 KI

  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 = 50150993   

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150993(4-[2-(4,4-Difluoro-2-{[(S)-(R)-1-(2-isobutoxycarbo...)
Affinity DataKi:  30nMAssay Description:Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2012
Entry Details Article
PubMed