BDBM525250 N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazino]-2-oxo-ethyl]-5-(trifluoromethyl)isoxazole-3-carboxamide ::WO2022043374, Example 99

SMILES F[C@H](Cl)C(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC12CC(C1)C2)NC(=O)c1cc(on1)C(F)(F)F

InChI Key InChIKey=TXBSVWQNUSXCIO-WXBGIHEDSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 525250   

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

WIPO
LigandPNGBDBM525250(N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...)
Affinity DataIC50:  71nMAssay 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
LigandPNGBDBM525250(N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...)
Affinity DataIC50:  24nMAssay 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
LigandPNGBDBM525250(N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...)
Affinity DataIC50:  93nMAssay 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
LigandPNGBDBM525250(N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...)
Affinity DataIC50:  21nMAssay 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
LigandPNGBDBM525250(N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...)
Affinity DataIC50:  230nMAssay 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