BDBM50573882 CHEMBL4873674

SMILES COc1ccc2nc(C)c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OCC5(C)CC5(F)F)C(=O)N4C3)nc2c1

InChI Key InChIKey=DEOAHOSUZUPNCA-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50573882   

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
University of Massachusetts Medical School

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573882BDBM50573882(CHEMBL4873674)
Affinity DataKi:  3.10nMAssay Description:Inhibition of HCV GT-1a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
University of Massachusetts Medical School

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573882BDBM50573882(CHEMBL4873674)
Affinity DataKi:  100nMAssay Description:Inhibition of HCV GT-3a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed