BDBM458422 N-((S)-1-(((S)-4-(tert-butylamino)-3,4-dione- 1-((S)-2-oxopyrrolidin-3-yl)but-2-yl)amino)-1- oxo-3-phenylpropan-2-yl)-4,6-dimethoxy-1H- indole-2-carboxamide::US12636275, Compound A221

SMILES COc1cc(OC)c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NC(C)(C)C)[nH]c2c1

InChI Key InChIKey=HEJSBSABJFLYIU-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 458422   

TargetReplicase polyprotein 1a(2019-nCoV)
Shanghai Institute of Materia Medica, Chinese Academy Of Sciences

US Patent
LigandChemical structure of BindingDB Monomer ID 458422BDBM458422(N-((S)-1-(((S)-4-(tert-butylamino)-3,4-dione- 1-((...)
Affinity DataIC50: 5.80E+3nMAssay Description:The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2019
Entry Details
US Patent