BDBM582029 Preparation of (2S,4R)-1-((S)-2-(4-(4-(((E)-4-(6-chloro-2-methyl-2H-indazol-5-yl)idene amino)-2,6-dioxy-3-(2,4,5-trifluorobenzyl)-1,3,5-triazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)butanamido)-3,3-dimethylbutyryl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide::US11518759, Compound 2

SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCn2cc(Cn3c(=O)[nH]\c(=N/c4cc5cn(C)nc5cc4Cl)n(Cc4cc(F)c(F)cc4F)c3=O)nn2)C(C)(C)C)cc1

InChI Key InChIKey=JJDMMNQTHKNKJD-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 = 582029   

TargetReplicase polyprotein 1a(SARS-CoV)
Shaanxi Panlong Pharmaceutical

US Patent
LigandPNGBDBM582029(US11518759, Compound 2 | Preparation of (2S,4R)-1-...)
Affinity DataIC50: 550nMAssay Description:The inhibitory activity of the compounds against SARS-CoV-2 3CLpro was determined using fluorescence resonance energy transfer.10 μL of the comp...More data for this Ligand-Target Pair
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Date in BDB:
2/5/2023
Entry Details
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