BDBM50287621 CHEMBL4171493

SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@]2(C[C@@H]2C(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12

InChI Key InChIKey=PSVSXONHXYMVQH-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287621   

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50287621(CHEMBL4171493)
Affinity DataIC50: 12nMAssay Description:Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2020
Entry Details Article
PubMed