BDBM718252 US20250042889, Example 107

SMILES O=C(N[C@H]1CCCC[C@H]1Nc1c(C(=O)N2CCOCC2)cc(Br)cc1[N+](=O)[O-])c1cc(=O)[nH]c2ccccc12

InChI Key InChIKey=KFFVXVXATZDEKJ-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 718252   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM718252(US20250042889, Example 107)
Affinity DataIC50: 33nMAssay Description:Inhibition of recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 as substrate preincubated for 10 mins f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM718252(US20250042889, Example 107)
Affinity DataIC50: 165nMAssay Description:In this experiment, the activity of SARS-COV-2 3CLpro/Mpro protease was detected by fluorescence resonance energy transfer, and the half inhibitory c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/12/2025
Entry Details
US Patent