BDBM50150997 4-{2-[(S)-4,4-Difluoro-2-({(2S,4R)-1-((S)-2-isobutoxycarbonylamino-3-methyl-butyryl)-4-[2-(2-isopropylamino-thiazol-4-yl)-7-methoxy-quinolin-4-yloxy]-pyrrolidine-2-carbonyl}-amino)-butyrylamino]-ethyl}-3,5-difluoro-benzoic acid::CHEMBL366124

SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1csc(NC(C)C)n1

InChI Key InChIKey=GHODPLAVFAKUTP-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 = 50150997   

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

Curated by ChEMBL
LigandPNGBDBM50150997(4-{2-[(S)-4,4-Difluoro-2-({(2S,4R)-1-((S)-2-isobut...)
Affinity DataKi:  20nMAssay 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