BDBM525176 N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chloroacetyl)amino]carbamoyl]-3-methyl-butyl]-1H-indole-2-carboxamide::WO2022043374, Example 28

SMILES CC(C)C[C@H](NC(=O)Oc1cc2ccccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)CCl

InChI Key InChIKey=PAJZPMREBNPURC-HNNXBMFYSA-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 = 525176   

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

WIPO
LigandPNGBDBM525176(N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chloroacetyl...)
Affinity DataIC50:  7nMAssay 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
LigandPNGBDBM525176(N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chloroacetyl...)
Affinity DataIC50:  13nMAssay 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
LigandPNGBDBM525176(N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chloroacetyl...)
Affinity DataIC50:  16nMAssay 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
LigandPNGBDBM525176(N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chloroacetyl...)
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
LigandPNGBDBM525176(N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chloroacetyl...)
Affinity DataIC50:  50nMAssay 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