BDBM512571 acs.jmedchem.1c00409_ST.164

SMILES O=c1n(Cc2ccco2)[se]c2ccccc12

InChI Key InChIKey=QZJDTYZIHCOMMO-UHFFFAOYSA-N

Data  1 KI  3 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 4 hits for monomerid = 512571   

TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM512571(acs.jmedchem.1c00409_ST.164)
Affinity DataIC50: 74nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM512571(acs.jmedchem.1c00409_ST.164)
Affinity DataIC50: 70nMAssay Description:Inhibition of N-terminal SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) by using MCA-AVLQSGFR-Lys (Dnp)-Lys-NH as fluorogenic subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM512571(acs.jmedchem.1c00409_ST.164)
Affinity DataIC50: 74nMAssay Description:Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21-Gold (DE3) using Mca-AVLQSGFR-K(Dnp)K as substrate incubated for 30 mins fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM512571(acs.jmedchem.1c00409_ST.164)
Affinity DataKi:  31nMAssay Description:Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed