BDBM512601 acs.jmedchem.1c00409_ST.194

SMILES CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2

InChI Key InChIKey=PGSZEJLOKWOQSW-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 512601   

TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM512601(acs.jmedchem.1c00409_ST.194)
Affinity DataIC50: 508nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(2019-nCoV)
Nankai University

Curated by ChEMBL
LigandPNGBDBM512601(acs.jmedchem.1c00409_ST.194)
Affinity DataIC50: 321nMAssay Description:Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells assessed as change in relative fluorescence unit using MCA-TSAVL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed