BDBM525251 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-(difluoromethyl)isoxazole-3-carboxamide::WO2022043374, Example 100

SMILES FC(F)c1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl

InChI Key InChIKey=XTRGKOYANUJLCC-GBRIJUBTSA-N

Data  5 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 5 hits for monomerid = 525251   

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

WIPO
LigandPNGBDBM525251(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Affinity DataIC50:  24nMAssay 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
TargetReplicase polyprotein 1ab(HCoV-229E)
F. Hoffmann-La Roche

WIPO
LigandPNGBDBM525251(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Affinity DataIC50:  28nMAssay Description:For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
F. Hoffmann-La Roche

WIPO
LigandPNGBDBM525251(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Affinity DataIC50:  31nMAssay Description:For the SARS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant SARS-CoV 3CL protease were mixed with serial dilutions of each compo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(HCoV-OC43)
F. Hoffmann-La Roche

WIPO
LigandPNGBDBM525251(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Affinity DataIC50:  17nMAssay Description: For the HCoV-OC433CLpro assay, 2 μL of 0.02 μM recombinant HCoV-OC433CL protease were mixed with serial dilutions of each comp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetOrf1a protein(MERS-CoV)
F. Hoffmann-La Roche

WIPO
LigandPNGBDBM525251(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Affinity DataIC50:  94nMAssay Description:For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-CoV 3CL protease were mixed with serial dilutions of each compo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed