BDBM557688 US11358953, Example 25

SMILES CC(C)(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C

InChI Key InChIKey=HDAXXCNMBNTMAB-UHFFFAOYSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 557688   

TargetReplicase polyprotein 1a(2019-nCoV)
Enanta Pharmaceuticals

US Patent
LigandPNGBDBM557688(US11358953, Example 25)
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:
9/19/2022
Entry Details
Go to US Patent

TargetReplicase polyprotein 1ab(2019-nCoV)
Experimental Drug Development Centre

Curated by ChEMBL
LigandPNGBDBM557688(US11358953, Example 25)
Affinity DataIC50: 100nMAssay Description:Inhibition of recombinant SARS-CoV-2 Main protease using TAMRA-SITSAVLQSGFRKMK-DABCYL-OH fluorogenic peptide as substrate preincubated or 30 mins fol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed