BDBM512583 acs.jmedchem.1c00409_ST.176

SMILES O=c1n(Cc2ccco2)sc2ccccc12

InChI Key InChIKey=SCOBQUKCPDSHPB-UHFFFAOYSA-N

Data  1 KI  4 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 5 hits for monomerid = 512583   

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

LigandPNGBDBM512583(acs.jmedchem.1c00409_ST.176)
Affinity DataIC50: 110nMAssay 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

LigandPNGBDBM512583(acs.jmedchem.1c00409_ST.176)
Affinity DataIC50: 490nMAssay Description:Inhibition of SARS-CoV-2 main protease using Mca-AVLQSGFRK(Dnp)K as substrate preincubated with enzyme for 10 mins followed by substrate addition and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM512583(acs.jmedchem.1c00409_ST.176)
Affinity DataIC50: 110nMAssay 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

LigandPNGBDBM512583(acs.jmedchem.1c00409_ST.176)
Affinity DataIC50: 110nMAssay 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

LigandPNGBDBM512583(acs.jmedchem.1c00409_ST.176)
Affinity DataKi:  78nMAssay 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