BDBM50602739 CHEMBL5170933

SMILES CC(=O)OCC1Cc2c(cccc2-c2c(O)ccc(C3CCCCC3)c12)-c1cc(ccn1)-c1ccccc1

InChI Key InChIKey=CMRWVTBJAYUAFO-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50602739   

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

Curated by ChEMBL
LigandPNGBDBM50602739(CHEMBL5170933)
Affinity DataIC50: 8.54E+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