BDBM420296 Advanced SARS-CoV-2 Inhibitor 11a::MPI10::acs.jmedchem.1c00409_ST.40::med.21724, Compound 61::peptidomimetic aldehydes 11a::peptidomimetic coronavirus 3CLpro inhibitors 11a

SMILES c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O

InChI Key InChIKey=HPKJGHVHQWJOOT-UHFFFAOYSA-N

Data  2 KI  23 IC50  7 EC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420296   

TargetReplicase polyprotein 1ab(2019-nCoV)
Nantong University

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 50nMAssay Description:Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed