BDBM50617984 CHEMBL5398507

SMILES CCC(=O)c1ccc2Sc3ccccc3N(C(=O)CSC#N)c2c1

InChI Key InChIKey=IIKBDQDKJXBFOD-UHFFFAOYSA-N

Data  1 IC50

  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 = 50617984   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50617984(CHEMBL5398507)
Affinity DataIC50: 3.33E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Ly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed