BDBM50642154 Simeprevir sodium::TMC-435 SODIUM SALT::Olysio

SMILES COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

InChI Key

  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 = 50642154   

TargetNon-structural protein 4b(Hepacivirus hominis)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50642154(Simeprevir sodium | TMC-435 SODIUM SALT | Olysio)
Affinity DataKi:  0.360nMAssay Description:Binding affinity to Hepatitis C virus genotype 4 NS4B assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNon-structural protein 4b(Hepacivirus hominis)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50642154(Simeprevir sodium | TMC-435 SODIUM SALT | Olysio)
Affinity DataKi:  0.360nMAssay Description:Binding affinity to Hepatitis C virus genotype 1 NS4B assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed