BDBM420297 acs.jmedchem.1c00409_ST.30::med.21724, Compound 62::peptidomimetic aldehydes 11b::peptidomimetic coronavirus 3CLpro inhibitors 11b

SMILES c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](Cc3cccc(c3)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O

InChI Key InChIKey=HCRBVFBQANEDDM-UHFFFAOYSA-N

Data  14 IC50  3 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 420297   

TargetReplicase polyprotein 1ab(2019-nCoV)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 858nMAssay Description:Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells assessed as change in relative fluorescence unit using MCA-TSAVL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay Description:Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate by FRET analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataEC50:  720nMAssay Description:Inhibition of Severe acute respiratory syndrome coronavirus 2 MPro incubated for 24 hrs by plaque assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay Description:Inhibition of SARS-CoV2 main proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay Description:Inhibition of N-terminal recombinant SARS CoV 2 3CL protease expressed in Escherichia coli BL21-DE3 cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataEC50:  720nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 23nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataEC50:  330nMAssay 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)
Nankai University

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay 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