BDBM50150983 2-{3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl-1-((S)-2-isobutoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-4,4-difluoro-butyrylamino)-ethyl]-phenylamino}-butyric acid::CHEMBL362405

SMILES CCC(Nc1cccc(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C2CCCCC2)c1)C(O)=O

InChI Key InChIKey=KPIPTNOTMDCQDS-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 = 50150983   

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

Curated by ChEMBL
LigandPNGBDBM50150983(2-{3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl-1-((S)-2-iso...)
Affinity DataKi:  500nMAssay 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