BDBM686835 US20240246951, Compound 245

SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3c(F)cccc3s1)C2(C)C

InChI Key InChIKey=UGXSZZAITMURED-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 = 686835   

TargetReplicase polyprotein 1a(2019-nCoV)
National Center For Global Health And Medicine

US Patent
LigandPNGBDBM686835(US20240246951, Compound 245)
Affinity DataIC50: 2nMAssay Description:The Mpro/3CL protease enzyme inhibitory activity of each of the above compounds (test compounds) was evaluated using an assay kit based on FRET (prod...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2024
Entry Details
US Patent

TargetReplicase polyprotein 1ab(2019-nCoV)
Tokyo Medical and Dental University (TMDU)

Curated by ChEMBL
LigandPNGBDBM686835(US20240246951, Compound 245)
Affinity DataIC50: 8nMAssay Description:Inhibition of untagged SARS-CoV-2 JPN/TY/WK-521 Main protease using FRET-based UIVT3 as substrate by continuous fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed