BDBM496891 GRL-2420

SMILES CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](c2nc3ccccc3s2)O)NC(=O)c4cc5c([nH]4)cccc5OC

InChI Key InChIKey=DHQWCSDZTRDSRP-UHFFFAOYSA-N

Data  1 KI  1 EC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 496891   

TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue University

LigandPNGBDBM496891(GRL-2420)
Affinity DataEC50:  4.20E+3nMAssay Description:VeroE6 cells and TMPRSS2-overexpressing VeroE6 (VeroE6TMPRSS2) cells were obtained from the Japanese Collection of Research Bioresources (JCRB) Cell ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue University

LigandPNGBDBM496891(GRL-2420)
Affinity DataKi:  18nMAssay Description:IC50 values were determined for compounds that covalently inhibit SARS-CoV-2 3CLpro using our recently described assay and data fitting methods that ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2021
Entry Details Article
PubMed