BDBM513873 bioRxiv20220126.477782, Screening Hit 2

SMILES CNC(=O)Cn1c(=O)[nH]\c(=N/c2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)c(F)c2)c1=O

InChI Key InChIKey=XAGVUVLRKSMPAA-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  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 1 hit for monomerid = 513873   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM513873(bioRxiv20220126.477782, Screening Hit 2)
Affinity DataIC50: 96nMAssay Description:Inhibition of N-terminal His6-tagged SARS-CoV-2 Main proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed