BDBM509972 Advanced SARS-CoV-2 Inhibitor 6e::acs.jmedchem.1c00409_ST.115

SMILES CCCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O

InChI Key InChIKey=FOLCUFKJHSQMEL-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 509972   

TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM509972(Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c...)
Affinity DataEC50:  150nMAssay 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

LigandPNGBDBM509972(Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c...)
Affinity DataIC50: 900nMAssay 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)
Michigan State University

LigandPNGBDBM509972(Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c...)
Affinity DataIC50: 170nMAssay 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)
Michigan State University

LigandPNGBDBM509972(Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c...)
Affinity DataIC50: 10nMAssay Description:FRET-based enzymatic assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2022
Entry Details Article
PubMed
TargetCathepsin B(Human)
The University of Arizona

LigandPNGBDBM509972(Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c...)
Affinity DataIC50: 0.5nMAssay Description:FRET-based enzymatic assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2022
Entry Details Article
PubMed