BDBM50627045 CHEMBL5395225

SMILES [H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O

InChI Key InChIKey=UDPOYLPOECCAHB-UHFFFAOYSA-N

Data  1 KI  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 = 50627045   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50627045(CHEMBL5395225)
Affinity DataKi:  3.20nMAssay Description:Covalent binding affinity to SARS-CoV-2 3CL protease expressed in Escherichia coli BL21(DE3) cells after 30 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples Federico Ii

Curated by ChEMBL
LigandPNGBDBM50627045(CHEMBL5395225)
Affinity DataIC50: 5nMAssay Description:Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21(DE3) cells using DABCYL-KTSAVLQSGFRKM-EDANS as substrate preincubated for 30...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed