BDBM649936 US20240043417, Example TABLE 1.26

SMILES CC(C)(C)[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C

InChI Key InChIKey=XDSIVSTWQPHZJW-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 649936   

TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue University

Curated by ChEMBL
LigandPNGBDBM649936(US20240043417, Example TABLE 1.26)
Affinity DataKi:  37nMAssay Description:Inhibition of N-terminal hexa-histidine tagged SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using HiLyte Fluor 488TM-ESATLQSGLRK...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue University

Curated by ChEMBL
LigandPNGBDBM649936(US20240043417, Example TABLE 1.26)
Affinity DataEC50:  7.50E+4nMAssay Description:This patent does not specify.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2024
Entry Details
US Patent