BDBM525249 N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazino]-1-[(1-methylcyclopropyl)methyl]-2-oxo-ethyl]-5-(trifluoromethyl)isoxazole-3-carboxamide::WO2022043374, Example 98

SMILES CC1(C[C@H](NC(=O)c2cc(on2)C(F)(F)F)C(=O)NN(C[C@@H]2CCNC2=O)C(=O)[C@H](F)Cl)CC1

InChI Key InChIKey=QNVMNAPECKECBK-GAFUQQFSSA-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 = 525249   

TargetReplicase polyprotein 1ab(2019-nCoV)
F. Hoffmann-La Roche

WIPO
LigandPNGBDBM525249(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Affinity DataIC50:  17nMAssay Description:For the SARS-CoV-2 3CLpro assay, 2 μL of 0.02 μM recombinant SARS-CoV-2 3CL protease were mixed with serial dilutions of each c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed