BDBM429242 acs.jmedchem.1c00409_ST.4::jm5b01461, Compound 59

SMILES CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)c4cc5c([nH]4)cccc5OC

InChI Key InChIKey=JBLLRCOZJMVOAE-UHFFFAOYSA-N

Data  9 KI  1 IC50

PDB links: 9 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 = 429242   

TargetReplicase polyprotein 1ab(SARS-CoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM429242(jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4)
Affinity DataIC50: 740nMAssay Description:Inhibition of SARS-CoV-1 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM429242(jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4)
Affinity DataKi:  6nMAssay 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(SARS-CoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM429242(jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4)
Affinity DataKi:  6nMAssay 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)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM429242(jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4)
Affinity DataKi:  6nMAssay Description:Binding affinity to recombinant SARS-CoV-2 Main protease assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM429242(jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4)
Affinity DataKi:  6.30nMAssay 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)
University of Siena

Curated by ChEMBL
LigandPNGBDBM429242(jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4)
Affinity DataKi:  6.30nMAssay 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(2019-nCoV)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM429242(jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4)
Affinity DataKi:  6.30nMAssay Description:Binding affinity to SARS-CoV-2 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(2019-nCoV)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM429242(jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4)
Affinity DataKi:  34nMAssay Description:Inhibition of SARS-CoV-2 3CL protease assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Siena

Curated by ChEMBL
LigandPNGBDBM429242(jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4)
Affinity DataKi:  34nMAssay Description:Binding affinity to recombinant SARS-CoV-1 Main protease assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM429242(jm5b01461, Compound 59 | acs.jmedchem.1c00409_ST.4)
Affinity DataKi:  1.76E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed