BDBM617076 US11753373, Compound D-3-a

SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N)C2(C)C

InChI Key InChIKey=DGVNIEAIBBZBMO-UHFFFAOYSA-N

Data  1 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 = 617076   

TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM617076(US11753373, Compound D-3-a)
Affinity DataKi:  0.0400nMAssay 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:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM617076(US11753373, Compound D-3-a)
Affinity DataIC50: 5.83nMAssay Description:Mpro activity was measured according to the manufacturer's protocol (BPS Biosciences, cat #78042-2) in 384-well plates. The included recombinant un-t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/20/2023
Entry Details
US Patent