BDBM525164 Benzyl N-[(1S)-2-[2-(3-amino-3-oxo-propyl)-2-(2-chloro-2-fluoro-acetyl)hydrazino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamate::WO2022043374, Example 16-A

SMILES NC(=O)CCN(NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1)C(=O)[C@@H](F)Cl

InChI Key InChIKey=JDSRVQKJWVNPGQ-PKOBYXMFSA-N

Data  2 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 2 hits for monomerid = 525164   

TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

Curated by ChEMBL
LigandPNGBDBM525164(Benzyl N-[(1S)-2-[2-(3-amino-3-oxo-propyl)-2-(2-ch...)
Affinity DataIC50:  53nMAssay Description:Inhibition of recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 DE3 using FAM-KTSAVLQSGFRKMEK-TAMRA fluorogenic peptide as substrate p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

Curated by ChEMBL
LigandPNGBDBM525164(Benzyl N-[(1S)-2-[2-(3-amino-3-oxo-propyl)-2-(2-ch...)
Affinity DataIC50:  53nMAssay 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