BDBM50144357 3-Chloro-4-(2-{(S)-4,4-difluoro-2-[(S)-2-((S)-2-isobutoxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-butyrylamino}-ethyl)-benzoic acid::3-Chloro-4-[2-(4,4-difluoro-2-{(S)-(S)-2-[2-((S)-isobutoxycarbonylamino)-3-methyl-butyrylamino]-4-methyl-pentanoylamino}-butyrylamino)-ethyl]-benzoic acid::CHEMBL68035

SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O

InChI Key InChIKey=IUZHSMGDOMNJSI-UHFFFAOYSA-N

Data  1 KI  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 2 hits for monomerid = 50144357   

TargetGenome polyprotein(HCV)
Irbm, Mrl Rome

Curated by ChEMBL
LigandPNGBDBM50144357(3-Chloro-4-[2-(4,4-difluoro-2-{(S)-(S)-2-[2-((S)-i...)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of Hepatitis C virus NS3 protease in vitro.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144357(3-Chloro-4-[2-(4,4-difluoro-2-{(S)-(S)-2-[2-((S)-i...)
Affinity DataKi:  1.20E+3nMAssay 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