BDBM557411 US11352363, Example 4::US11384090, Compound 4

SMILES O=C(N[C@@H](CC1CC1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)OCc1ccccc1

InChI Key InChIKey=VLFFFMNSZOSKEU-UHFFFAOYSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 557411   

TargetReplicase polyprotein 1a(2019-nCoV)
Enanta Pharmaceuticals

US Patent
LigandPNGBDBM557411(US11384090, Compound 4 | US11352363, Example 4)
Affinity DataIC50: 100nMAssay Description:SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET): Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Da...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2022
Entry Details
Go to US Patent

TargetReplicase polyprotein 1a(2019-nCoV)
Enanta Pharmaceuticals

US Patent
LigandPNGBDBM557411(US11384090, Compound 4 | US11352363, Example 4)
Affinity DataIC50: 100nMAssay Description:SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET): Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Da...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/11/2022
Entry Details
Go to US Patent