BDBM50087564 (S)-4-((S)-1-{(S)-1-[(R)-2-(1-Allylaminooxalyl-but-3-enylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-propylcarbamoyl)-4-((S)-3-tert-butoxycarbonyl-2-tert-butoxycarbonylamino-propionylamino)-butyric acid tert-butyl ester::CHEMBL351389

SMILES CC(C)[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)NC(CC=C)C(=O)C(=O)NCC=C

InChI Key InChIKey=KKKLBGYYQAIFMX-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087564   

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50087564((S)-4-((S)-1-{(S)-1-[(R)-2-(1-Allylaminooxalyl-but...)
Affinity DataIC50: 570nMAssay Description:Inhibition against hepatitis C virus protease NS3 activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed