BDBM429329 acs.jmedchem.1c00409_ST.265::jm5b01461, Compound 146-(R)

SMILES CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3

InChI Key InChIKey=JXGIYKRRPGCLFV-UHFFFAOYSA-N

Data  5 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 429329   

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

LigandPNGBDBM429329(jm5b01461, Compound 146-(R) | acs.jmedchem.1c00409...)
Affinity DataIC50: 1.50E+3nMAssay 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 1a(SARS-CoV)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM429329(jm5b01461, Compound 146-(R) | acs.jmedchem.1c00409...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of SARS-CoV MPro transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate preincubated for 15 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM429329(jm5b01461, Compound 146-(R) | acs.jmedchem.1c00409...)
Affinity DataIC50: 1.50E+3nMAssay 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 1a(SARS-CoV)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM429329(jm5b01461, Compound 146-(R) | acs.jmedchem.1c00409...)
Affinity DataIC50: 1.50E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(2019-nCoV)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM429329(jm5b01461, Compound 146-(R) | acs.jmedchem.1c00409...)
Affinity DataKi:  1.60E+3nMAssay Description:Binding affinity to His-tagged SARS-CoV-2 Main protease BetaCoV/Wuhan/WIV04/2019 expressed in Escherichia coli BL21 (DE3) assessed as inhibition cons...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM429329(jm5b01461, Compound 146-(R) | acs.jmedchem.1c00409...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate measured after 10 mins by fluorescence based analysisMore 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

LigandPNGBDBM429329(jm5b01461, Compound 146-(R) | acs.jmedchem.1c00409...)
Affinity DataIC50: 4.80E+3nMAssay 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)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM429329(jm5b01461, Compound 146-(R) | acs.jmedchem.1c00409...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of N-terminal full length SARS-CoV-2 Main protease using Thr-Ser-Ala-Val-Leu-Gln-pNA as substrate preincubated for 30 mins followed by sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandPNGBDBM429329(jm5b01461, Compound 146-(R) | acs.jmedchem.1c00409...)
Affinity DataEC50:  1.29E+4nMAssay 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)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM429329(jm5b01461, Compound 146-(R) | acs.jmedchem.1c00409...)
Affinity DataAssay 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