BDBM513874 bioRxiv20220126.477782, S-217622::bioRxiv20220126.477782, Screening Hit 2

SMILES Cn1cnc(Cn2c(=O)[nH]\c(=N/c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1

InChI Key InChIKey=QMPBBNUOBOFBFS-UHFFFAOYSA-N

Data  13 IC50  6 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 = 513874   

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

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...)
Affinity DataIC50: 13nMAssay Description:Inhibition of SARS-COV2 Main protease using Mca-AVLQ-SGFR-K as substrate by Fluorescence microplate reader assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed