BDBM59242 Benzotriazole ester, 8::acs.jmedchem.1c00409_ST.6::med.21724, Compound 91

SMILES c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4

InChI Key InChIKey=YPFWNRLSYPAVJB-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 59242   

TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM59242(Benzotriazole ester, 8 | med.21724, Compound 91 | ...)
Affinity DataKi:  7.5nMAssay 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(SARS-CoV)
Michigan State University

LigandPNGBDBM59242(Benzotriazole ester, 8 | med.21724, Compound 91 | ...)
Affinity DataKi:  7.5nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM59242(Benzotriazole ester, 8 | med.21724, Compound 91 | ...)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM59242(Benzotriazole ester, 8 | med.21724, Compound 91 | ...)
Affinity DataKi:  7.5nMAssay Description:Binding affinity to SARS-CoV-1 MPro assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM59242(Benzotriazole ester, 8 | med.21724, Compound 91 | ...)
Affinity DataKi:  7.5nMpH: 7.5Assay Description:Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2011
Entry Details Article
PubMed