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

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 InChIKey=IWEYORMWCXRHEA-UHFFFAOYSA-M

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

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:  0.360nMMore data for this Ligand-Target Pair
Ligand Info
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:  0.360nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed