BDBM512458 acs.jmedchem.1c00409_ST.51

SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1

InChI Key InChIKey=JMBJZTHVHMZAKN-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 512458   

TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 512458BDBM512458(acs.jmedchem.1c00409_ST.51)
Affinity DataKi:  15nMAssay Description:Binding affinity to C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro extracted from Escherichia coli BL21(DE3) assessed as inhibition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandChemical structure of BindingDB Monomer ID 512458BDBM512458(acs.jmedchem.1c00409_ST.51)
Affinity DataKi:  65nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed