BDBM50273979 CHEMBL4128616::US11859014, Compound 36

SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)\C=C(/C#N)C(N)=O

InChI Key InChIKey=WPNBZKYCSYYZKC-UHFFFAOYSA-N

Data  2 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50273979   

TargetGenome polyprotein(Norovirus Hu/GII.4-2002/WeertE022/2002/NL)
Emory University

Curated by ChEMBL
LigandPNGBDBM50273979(CHEMBL4128616 | US11859014, Compound 36)
Affinity DataIC50: 1.17E+3nMAssay Description:Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetGenome polyprotein(Norovirus Hu/GI/10360/2010/VNM)
Emory University

Curated by ChEMBL
LigandPNGBDBM50273979(CHEMBL4128616 | US11859014, Compound 36)
Affinity DataIC50: 593nMAssay Description:Inhibition of Norovirus prototypic GI.1 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetGenome polyprotein(Norovirus Hu/GII.P4_GII.4/Minerva)
Emory University

US Patent
LigandPNGBDBM50273979(CHEMBL4128616 | US11859014, Compound 36)
Affinity DataIC50: 1.17E+3nMAssay Description:The ability of these compounds to inhibit the NoV, specifically Minerva virus protease catalytic Cys139 covalently (IC50 and Ki) was determined with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
Go to US Patent

TargetGenome polyprotein(Norovirus Hu/GII.P4_GII.4/Minerva)
Emory University

US Patent
LigandPNGBDBM50273979(CHEMBL4128616 | US11859014, Compound 36)
Affinity DataIC50: 593nMAssay Description:The ability of these compounds to inhibit the NoV, specifically Minerva virus protease catalytic Cys139 covalently (IC50 and Ki) was determined with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
Go to US Patent

TargetGenome polyprotein(Norovirus Hu/GII.P4_GII.4/Minerva)
Emory University

US Patent
LigandPNGBDBM50273979(CHEMBL4128616 | US11859014, Compound 36)
Affinity DataKi:  1.70E+3nMAssay Description:The ability of these compounds to inhibit the NoV, specifically Minerva virus protease catalytic Cys139 covalently (IC50 and Ki) was determined with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
Go to US Patent

TargetGenome polyprotein(Norovirus Hu/GII.P4_GII.4/Minerva)
Emory University

US Patent
LigandPNGBDBM50273979(CHEMBL4128616 | US11859014, Compound 36)
Affinity DataKi:  3.60E+3nMAssay Description:The ability of these compounds to inhibit the NoV, specifically Minerva virus protease catalytic Cys139 covalently (IC50 and Ki) was determined with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
Go to US Patent