BDBM50598436 CHEMBL5175377

SMILES Cc1c(NC(=S)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C

InChI Key InChIKey=WZBUVKGUABINJT-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50598436   

TargetReplicase polyprotein 1ab(2019-nCoV)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598436(CHEMBL5175377)
Affinity DataIC50: 1.08E+4nMAssay Description:Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 30 mins followed by substrate addition a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Peking University

Curated by ChEMBL
LigandPNGBDBM50598436(CHEMBL5175377)
Affinity DataIC50: 1.08E+4nMAssay Description:Inhibition of SARA-CoV-2 Main protease using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed