BDBM429086 jm5b01461, Compound 44

SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1

InChI Key InChIKey=CBNZTDULZKZFFM-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 429086   

TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandChemical structure of BindingDB Monomer ID 429086BDBM429086(jm5b01461, Compound 44)
Affinity DataKi:  2.24E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Nankai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 429086BDBM429086(jm5b01461, Compound 44)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant SARS-CoV-2 3CLpro using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate incubated for 1.5 hrs by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed