BDBM420296 Advanced SARS-CoV-2 Inhibitor 11a::MPI10::acs.jmedchem.1c00409_ST.40::med.21724, Compound 61::peptidomimetic aldehydes 11a::peptidomimetic coronavirus 3CLpro inhibitors 11a

SMILES c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O

InChI Key InChIKey=HPKJGHVHQWJOOT-UHFFFAOYSA-N

Data  2 KI  23 IC50  7 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 420296   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 18nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:Inhibition of recombinant SARS-COV2 main protease using Mca-AVLQ-SGFR-Lys-NH2 as substrate by FRET based cleavage assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:Inhibition of His/SUMO tagged SARS-CoV-2 main protease transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME-Edans as substrate prei...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 as fluorogenic substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli preincubated for 10 mins followed by fluorogenic substrate addition and measured every 30...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 50nMAssay Description:Inhibition of full length GST-tagged SARS-CoV-2 Main protease expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 50nMAssay Description:Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:Recombinant SARS-CoV-2 Mpro was expressed and purified from Escherichia coli (E. coli) (18, 25). A fluorescently labeled substrate, MCA-AVLQ SGFR-Lys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 530nMAssay Description:Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate by FRET based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins follow...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCathepsin B(Human)
The University of Arizona

LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 0.210nMAssay Description:FRET-based enzymatic assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2022
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 8nMAssay Description:FRET-based enzymatic assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2022
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay 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)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 31nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 14nMAssay Description:SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 50nMAssay 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)
University of Siena

Curated by ChEMBL
LigandPNGBDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataKi:  30nM IC50: 31nMAssay Description:The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2021
Entry Details Article
PubMed