BDBM649917 US20240043417, Example TABLE 1.7

SMILES CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c4nc5ccccc5s4)C

InChI Key InChIKey=ZWFVHGRPHWFQQC-UHFFFAOYSA-N

Data  1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 649917   

TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM649917(US20240043417, Example TABLE 1.7)
Affinity DataIC50: 7.50E+4nMAssay Description:IC50 values were determined for compounds that inhibit SARS-CoV-2 3CLpro using our recently described assay (Hattori et al. Nat. Commun. 2021, 12, 66...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2024
Entry Details
Go to US Patent

TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue Research Foundation

US Patent
LigandPNGBDBM649917(US20240043417, Example TABLE 1.7)
Affinity DataEC50:  2.75E+4nMAssay Description:This patent does not specify.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2024
Entry Details
Go to US Patent