BDBM50602754 CHEMBL5209430

SMILES CC(=O)OCC1Cc2c(cccc2-c2c(O)ccc(-c3ccc(Br)cc3)c12)-c1ccc(cn1)S(C)(=O)=O

InChI Key InChIKey=IQWDSTSPBNAEEP-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 = 50602754   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50602754(CHEMBL5209430)
Affinity DataIC50: 6.65E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed