BDBM50598462 CHEMBL5196018

SMILES [H][C@@]1(C[C@H](NC(=O)[C@H](CC2CC2)NC(=O)n2cccc(NC(=O)OC(C)(C)C)c2=O)C(=O)C(=O)NCc2ccccc2)CCNC1=O

InChI Key InChIKey=ROOAWSGVWLPDFX-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50598462   

TargetReplicase polyprotein 1ab(2019-nCoV)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598462(CHEMBL5196018)
Affinity DataIC50: 670nMAssay Description:Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli BL21-Gold (DE3) cells using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate by FR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed